From e1b9a43bea76909940da187282f4664220db0d9c Mon Sep 17 00:00:00 2001 From: Zeyun Date: Mon, 2 Sep 2024 19:39:54 -0400 Subject: [PATCH 01/14] update threshold to 0.95, and add time testing function --- docs/manual.rst | 4 +- sushie/cli.py | 4 +- sushie/infer.py | 335 ++++++++++++++++++++++++++++++++++++++++++++++-- 3 files changed, 331 insertions(+), 12 deletions(-) diff --git a/docs/manual.rst b/docs/manual.rst index 424198d..fb65b4e 100644 --- a/docs/manual.rst +++ b/docs/manual.rst @@ -371,8 +371,8 @@ Parameters - Minimum tolerance for the convergence. Smaller number may slow the inference while larger may cause different inference. * - ``--threshold`` - Float - - 0.9 - - ``--threshold 0.8`` + - 0.95 + - ``--threshold 0.9`` - Specify the PIP threshold for SNPs to be included in the credible sets. It has to be a float number between 0 and 1. * - ``--purity`` - Float diff --git a/sushie/cli.py b/sushie/cli.py index 7837917..6a07fed 100755 --- a/sushie/cli.py +++ b/sushie/cli.py @@ -1425,10 +1425,10 @@ def build_finemap_parser(subp): finemap.add_argument( "--threshold", - default=0.9, + default=0.95, type=float, help=( - "Specify the PIP threshold for SNPs to be included in the credible sets. Default is 0.9.", + "Specify the PIP threshold for SNPs to be included in the credible sets. Default is 0.95.", " It has to be a float number between 0 and 1.", ), ) diff --git a/sushie/infer.py b/sushie/infer.py index 349074b..23b2d94 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -166,7 +166,7 @@ def infer_sushie( rho: utils.ListFloatOrNone = None, max_iter: int = 500, min_tol: float = 1e-4, - threshold: float = 0.9, + threshold: float = 0.95, purity: float = 0.5, max_select: int = 500, min_snps: int = 100, @@ -191,15 +191,15 @@ def infer_sushie( Default is :math:`0.001` by specifying it as ``None``. rho: Prior effect size correlation (:math:`\\rho` in :ref:`Model`). Default is :math:`0.1` by specifying it as ``None``. - max_iter: The maximum iteration for optimization. - min_tol: The convergence tolerance. - threshold: The credible set threshold. - purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. - max_select: The maximum number of selected SNPs to compute purity. - min_snps: The minimum number of SNPs to fine-map. + max_iter: The maximum iteration for optimization. Default is :math:`500`. + min_tol: The convergence tolerance. Default is :math:`10^{-4}`. + threshold: The credible set threshold. Default is :math:`0.95`. + purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. Default is :math:`0.5`. + max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. + min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. Default is to re-order. - seed: The randomization seed for selecting SNPs in the credible set to compute purity. + seed: The randomization seed for selecting SNPs in the credible set to compute purity. Default is :math:`12345`. Returns: :py:obj:`SushieResult`: A SuShiE result object that contains prior (:py:obj:`Prior`), @@ -900,3 +900,322 @@ def make_cs( ) return cs, full_alphas, pip_all, pip_cs + +def _infer_test( + Xs: List[ArrayLike], + ys: List[ArrayLike], + covar: utils.ListArrayOrNone = None, + L: int = 5, + no_scale: bool = False, + no_regress: bool = False, + no_update: bool = False, + pi: ArrayLike = None, + resid_var: utils.ListFloatOrNone = None, + effect_var: utils.ListFloatOrNone = None, + rho: utils.ListFloatOrNone = None, + max_iter: int = 500, + min_tol: float = 1e-4, + threshold: float = 0.95, + purity: float = 0.5, + max_select: int = 500, + min_snps: int = 100, +) -> None: + """The main inference function for testing computation time purpose. + + """ + if len(Xs) == len(ys): + n_pop = len(Xs) + else: + raise ValueError( + f"The number of geno ({len(Xs)}) and pheno ({len(ys)}) data does not match. Check your input." + ) + + # check x and y have the same sample size + for idx in range(n_pop): + if Xs[idx].shape[0] != ys[idx].shape[0]: + raise ValueError( + f"Ancestry {idx + 1}: The sample size of geno ({Xs[idx].shape[0]}) " + + f"and pheno ({ys[idx].shape[0]}) data does not match. Check your input." + ) + + # check each ancestry has the same number of SNPs + for idx in range(1, n_pop): + if Xs[idx - 1].shape[1] != Xs[idx].shape[1]: + raise ValueError( + f"Ancestry {idx} and ancestry {idx} do not have " + + f"the same number of SNPs ({Xs[idx - 1].shape[1]} vs {Xs[idx].shape[1]})." + ) + + if L <= 0: + raise ValueError(f"Inferred L ({L}) is invalid, choose a positive L.") + + if min_tol > 0.1: + log.logger.warning( + f"Minimum intolerance ({min_tol}) is greater than 0.1. Inference may not be accurate." + ) + + if not 0 < threshold < 1: + raise ValueError( + f"CS threshold ({threshold}) is not between 0 and 1. Specify a valid one." + ) + + if not 0 < purity < 1: + raise ValueError( + f"Purity threshold ({purity}) is not between 0 and 1. Specify a valid one." + ) + + if max_select <= 0: + raise ValueError( + "The maximum selected number of SNPs for purity is invalid. Choose a positive integer." + ) + + if max_select <= 0: + raise ValueError( + "The minimum number of SNPs to fine-map is invalid. Choose a positive integer." + ) + + if max_select < 100: + raise ValueError( + "The maximum selected number of SNPs is too small thus may miss true positives. Choose a positive integer." + ) + + if pi is not None: + if not (pi > 0).all(): + raise ValueError( + "Prior probability/weights contain negative value. Specify a valid pi prior." + ) + + if pi.shape[0] != Xs[0].shape[1]: + raise ValueError( + f"Prior probability/weights ({pi.shape[0]}) does not match the number of SNPs ({Xs[0].shape[1]})." + ) + + if jnp.sum(pi) > 1: + log.logger.debug( + "Prior probability/weights sum to more than 1. Will normalize to sum to 1." + ) + pi = float(pi / jnp.sum(pi)) + + # first regress out covariates if there are any, then scale the genotype and phenotype + if covar is not None: + for idx in range(n_pop): + Xs[idx], ys[idx] = utils.regress_covar( + Xs[idx], ys[idx], covar[idx], no_regress + ) + + # center data + for idx in range(n_pop): + Xs[idx] -= jnp.mean(Xs[idx], axis=0) + ys[idx] -= jnp.mean(ys[idx]) + # scale data if specified + if not no_scale: + Xs[idx] /= jnp.std(Xs[idx], axis=0) + ys[idx] /= jnp.std(ys[idx]) + + ys[idx] = jnp.squeeze(ys[idx]) + + if resid_var is None: + resid_var = [] + for idx in range(n_pop): + resid_var.append(jnp.var(ys[idx], ddof=1)) + else: + if len(resid_var) != n_pop: + raise ValueError( + f"Number of specified residual prior ({len(resid_var)}) does not match ancestry number ({n_pop})." + ) + resid_var = [float(i) for i in resid_var] + if jnp.any(jnp.array(resid_var) <= 0): + raise ValueError( + f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." + ) + + _, n_snps = Xs[0].shape + + if min_snps < L: + raise ValueError( + f"The number of minimum common SNPs across ancestries ({min_snps}) is less than inferred L ({L})." + ) + + if n_snps < min_snps: + raise ValueError( + f"The number of common SNPs across ancestries ({n_snps}) is less than minimum common " + + "number of SNPs specified." + ) + + param_effect_var = effect_var + if effect_var is None: + effect_var = [1e-3] * n_pop + else: + if len(effect_var) != n_pop: + raise ValueError( + f"Number of specified effect prior ({len(effect_var)}) does not match ancestry number ({n_pop})." + ) + effect_var = [float(i) for i in effect_var] + if jnp.any(jnp.array(effect_var) <= 0): + raise ValueError( + f"The input of effect size prior ({effect_var})is invalid (<0)." + ) + + exp_num_rho = math.comb(n_pop, 2) + param_rho = rho + if rho is None: + rho = [0.1] * exp_num_rho + else: + if n_pop == 1: + log.logger.info( + "Running single-ancestry SuShiE, but --rho is specified. Will ignore." + ) + + if (len(rho) != exp_num_rho) and n_pop != 1: + raise ValueError( + f"Number of specified rho ({len(rho)}) does not match expected" + + f"number {exp_num_rho}.", + ) + rho = [float(i) for i in rho] + # double-check the if it's invalid rho + if jnp.any(jnp.abs(jnp.array(rho)) >= 1): + raise ValueError( + f"The input of rho ({rho}) is invalid (>=1 or <=-1). Check your input." + ) + + effect_covar = jnp.diag(jnp.array(effect_var)) + ct = 0 + for col in range(n_pop): + for row in range(1, n_pop): + if col < row: + _two_sd = jnp.sqrt(effect_var[row] * effect_var[col]) + effect_covar = effect_covar.at[row, col].set(rho[ct] * _two_sd) + effect_covar = effect_covar.at[col, row].set(rho[ct] * _two_sd) + ct += 1 + + if no_update: + # if we specify no_update and rho, we want to keep rho through iterations and update variance + if param_effect_var is None and param_rho is not None and n_pop != 1: + prior_adjustor = _PriorAdjustor( + times=jnp.eye(n_pop), + plus=effect_covar - jnp.diag(jnp.diag(effect_covar)), + ) + + log.logger.info( + "No updates on the prior effect correlation rho while updating prior effect variance." + ) + # if we specify no_update and effect_covar, we want to keep variance through iterations, and update rho + elif param_effect_var is not None and param_rho is None and n_pop != 1: + prior_adjustor = _PriorAdjustor( + times=jnp.ones((n_pop, n_pop)) - jnp.eye(n_pop), + plus=effect_covar * jnp.eye(n_pop), + ) + log.logger.info( + "No updates on the prior effect variance while updating prior effect correlation rho." + ) + # if we (do not specify effect_covar and rho) or (specify both effect_covar and rho) + # nothing is updated through iterations + else: + prior_adjustor = _PriorAdjustor( + times=jnp.zeros((n_pop, n_pop)), plus=effect_covar + ) + log.logger.info( + "No updates on the prior effect size variance/covariance matrix." + ) + else: + prior_adjustor = _PriorAdjustor( + times=jnp.ones((n_pop, n_pop)), plus=jnp.zeros((n_pop, n_pop)) + ) + + # define: + # k is ancestry + # n is sample size + # p is SNP + # l is the number of effects + + priors = Prior( + # p x 1 + pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, + # k x 1 + resid_var=jnp.array(resid_var)[:, jnp.newaxis], + # l x k x k + effect_covar=jnp.array([effect_covar] * L), + ) + + posteriors = Posterior( + # l x p + alpha=jnp.zeros((L, n_snps)), + # l x p x k + post_mean=jnp.zeros((L, n_snps, n_pop)), + # l x p x k x k + post_mean_sq=jnp.zeros((L, n_snps, n_pop, n_pop)), + # l x n x n + weighted_sum_covar=jnp.zeros((L, n_pop, n_pop)), + kl=jnp.zeros((L,)), + ) + + # since we use prior adjustor, this is really no need + # opt_v_func = NoopOptFunc() would work + opt_v_func = _EMOptFunc() if not no_update else _NoopOptFunc() + + # padding + ns = jnp.array([X.shape[0] for X in Xs])[:, jnp.newaxis] + p_max = jnp.max(ns) + for idx in range(n_pop): + # ((a,b), (c,d)) where a means top, b means bottom, c means left, and d means right + Xs[idx] = jnp.pad( + Xs[idx], ((0, p_max - jnp.squeeze(ns[idx])), (0, 0)), "constant" + ) + ys[idx] = jnp.pad(ys[idx], (0, p_max - jnp.squeeze(ns[idx])), "constant") + # k x n x p + Xs = jnp.array(Xs) + # k x n + ys = jnp.array(ys) + XtXs = jnp.sum(Xs ** 2, axis=1) + + elbo_tracker = jnp.array([-jnp.inf]) + elbo_increase = True + for o_iter in range(max_iter): + prev_priors = priors + prev_posteriors = posteriors + + priors, posteriors, elbo_cur = _update_effects( + Xs, + ys, + XtXs, + ns, + priors, + posteriors, + prior_adjustor, + opt_v_func, + ) + elbo_last = elbo_tracker[o_iter] + elbo_tracker = jnp.append(elbo_tracker, elbo_cur) + elbo_increase = elbo_cur >= elbo_last or jnp.isclose( + elbo_cur, elbo_last, atol=1e-8 + ) + + if not elbo_increase: + log.logger.warning( + f"Optimization concludes after {o_iter + 1} iterations." + + f" ELBO decreases. Final ELBO score: {elbo_cur}. Return last iteration's results." + + " It can be precision issue," + + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." + + " If this issue keeps rising for many genes, contact the developer." + ) + priors = prev_priors + posteriors = prev_posteriors + break + + decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 + + if jnp.abs(elbo_cur - elbo_last) < min_tol: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach minimum tolerance threshold {min_tol}.", + ) + break + + if o_iter + 1 == max_iter: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach maximum iteration threshold {max_iter}.", + ) + + return None + From 316b4a93bc25034ebc8206e7ff852e338d35d63d Mon Sep 17 00:00:00 2001 From: Zeyun Date: Mon, 2 Sep 2024 19:43:55 -0400 Subject: [PATCH 02/14] update documentation --- sushie/infer.py | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/sushie/infer.py b/sushie/infer.py index 23b2d94..ee4de41 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -194,7 +194,8 @@ def infer_sushie( max_iter: The maximum iteration for optimization. Default is :math:`500`. min_tol: The convergence tolerance. Default is :math:`10^{-4}`. threshold: The credible set threshold. Default is :math:`0.95`. - purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. Default is :math:`0.5`. + purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. + Default is :math:`0.5`. max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. @@ -901,6 +902,7 @@ def make_cs( return cs, full_alphas, pip_all, pip_cs + def _infer_test( Xs: List[ArrayLike], ys: List[ArrayLike], @@ -920,9 +922,7 @@ def _infer_test( max_select: int = 500, min_snps: int = 100, ) -> None: - """The main inference function for testing computation time purpose. - - """ + """The main inference function for testing computation time purpose.""" if len(Xs) == len(ys): n_pop = len(Xs) else: @@ -1218,4 +1218,3 @@ def _infer_test( ) return None - From de42aef780f15ad735b89cf9425426b0cf19877e Mon Sep 17 00:00:00 2001 From: Zeyun Date: Tue, 10 Sep 2024 16:57:05 -0400 Subject: [PATCH 03/14] fix small bugs --- sushie/cli.py | 55 ++++++++++++++++++++++++++++----------------------- 1 file changed, 30 insertions(+), 25 deletions(-) diff --git a/sushie/cli.py b/sushie/cli.py index 6a07fed..bf72de8 100755 --- a/sushie/cli.py +++ b/sushie/cli.py @@ -82,41 +82,34 @@ def _keep_file_subjects( return rawData, del_fam_num, del_pheno_num -def _drop_na_subjects(rawData: io.RawData) -> Tuple[io.RawData, int]: - _, fam, bed, pheno, covar = rawData +def _drop_na_subjects(rawData: io.RawData) -> Tuple[io.RawData, int, int]: + _, _, _, pheno, covar = rawData val = jnp.array(pheno["pheno"]) del_idx = jnp.logical_or(jnp.isnan(val), jnp.isinf(val)) - if covar is not None: - val = jnp.array(covar.drop(columns="iid")) - covar_del = jnp.logical_or( - jnp.any(jnp.isinf(val), axis=1), jnp.any(jnp.isnan(val), axis=1) - ) - del_idx = jnp.logical_or(del_idx, covar_del) - + # drop_idx is the positional index, but drop use the index label, so we need to convert it (drop_idx_name,) = jnp.where(del_idx) - - # ambiguous_idx is the positional index, but drop use the index label, so we need to convert it - fam_drop_idx = fam.index[drop_idx_name] pheno_drop_idx = pheno.index[drop_idx_name] - - fam = fam.drop(fam_drop_idx).reset_index(drop=True) pheno = pheno.drop(pheno_drop_idx).reset_index(drop=True) - bed = jnp.delete(bed, drop_idx_name, 0) + len_drop_idx_name = jnp.nan if covar is not None: - covar_drop_idx = pheno.index[drop_idx_name] + val = jnp.array(covar.drop(columns="iid")) + covar_del = jnp.logical_or( + jnp.any(jnp.isinf(val), axis=1), jnp.any(jnp.isnan(val), axis=1) + ) + (drop_idx_name,) = jnp.where(covar_del) + covar_drop_idx = covar.index[drop_idx_name] covar = covar.drop(covar_drop_idx).reset_index(drop=True) + len_drop_idx_name = len(drop_idx_name) rawData = rawData._replace( - fam=fam, pheno=pheno, - bed=bed, covar=covar, ) - return rawData, len(drop_idx_name) + return rawData, len(drop_idx_name), len_drop_idx_name def _remove_ambiguous_geno(rawData: io.RawData) -> Tuple[io.RawData, int]: @@ -657,17 +650,29 @@ def process_raw( # remove NA/inf value for subjects across phenotype or covariates data old_subject_num = rawData[idx].fam.shape[0] - rawData[idx], del_num = _drop_na_subjects(rawData[idx]) + rawData[idx], del_num_pheno, del_num_covar = _drop_na_subjects(rawData[idx]) - if del_num != 0: + if del_num_pheno != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_num_pheno} out of {old_subject_num} subjects" + + " because of INF or NAN value in phenotype data." + ) + + if del_num_covar != 0: log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_subject_num} subjects because of INF or NAN value" - + " in either phenotype or covariates data." + f"Ancestry {idx + 1}: Drop {del_num_covar} out of {old_subject_num} subjects" + + " because of INF or NAN value in covariates data." + ) + + if del_num_pheno == old_subject_num: + raise ValueError( + f"Ancestry {idx + 1}: All subjects have INF or NAN value in phenotype data." + + " Check the source." ) - if del_num == old_subject_num: + if del_num_covar == old_subject_num: raise ValueError( - f"Ancestry {idx + 1}: All subjects have INF or NAN value in either phenotype or covariates data." + f"Ancestry {idx + 1}: All subjects have INF or NAN value in covariates data." + " Check the source." ) From c25ebb201bb8b33bde72185453e57ddc09322a5f Mon Sep 17 00:00:00 2001 From: Zeyun Date: Fri, 13 Sep 2024 13:07:09 -0400 Subject: [PATCH 04/14] improve codes --- docs/manual.rst | 8 ++--- sushie/cli.py | 90 +++++++++++++++---------------------------------- 2 files changed, 32 insertions(+), 66 deletions(-) diff --git a/docs/manual.rst b/docs/manual.rst index fb65b4e..b409f1e 100644 --- a/docs/manual.rst +++ b/docs/manual.rst @@ -47,7 +47,7 @@ Although we highly recommend users to perform high-quality QC on their own genot #. Only keep SNPs that are available in all the ancestries. #. Adjust genotype data across ancestries based on the same reference alleles. Drop non-biallelic SNPs. #. Remove SNPs that have minor allele frequency (MAF) less than 1% within each ancestry (users can change 1% with ``--maf``). -# Users also have an option to remove ambiguous SNPs (i.e., A/T, T/A, C/G, or GC) by specifying ``--remove-ambiguous`` (Default is NOT to remove them). +# Users also have an option to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or GC) by specifying ``--keep-ambiguous`` (Default is NOT to keep them). #. For single ancestry SuSiE or Mega-SuSiE, users have the option to perform rank inverse normalization transformation on the phenotype data. See :func:`sushie.cli.process_raw` for these QCs' source codes. @@ -404,11 +404,11 @@ Parameters - False - ``--no-reorder`` - Indicator to re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. Default is False (to re-order). Specify --no-reorder will store 'True' value. - * - ``--remove-ambiguous`` + * - ``--keep-ambiguous`` - Boolean - False - - ``--remove-ambiguous`` - - Indicator to remove ambiguous SNPs (i.e., A/T, T/A, C/G, or G/C) from the genotypes. Recommend to remove these SNPs if each ancestry data is from different studies. Default is False (do not remove). Specify --remove-ambiguous will store 'True' value. + - ``--keep-ambiguous`` + - Indicator to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or G/C) from the genotypes. Recommend to remove these SNPs if each ancestry data is from different studies or plan to use the inference results for downstream analysis with other datasets. Default is False (do not keep). Specify --keep-ambiguous will store 'True' value. * - ``--meta`` - Boolean - False diff --git a/sushie/cli.py b/sushie/cli.py index bf72de8..8735d86 100755 --- a/sushie/cli.py +++ b/sushie/cli.py @@ -56,30 +56,24 @@ def _filter_maf(rawData: io.RawData, maf: float) -> Tuple[io.RawData, int]: def _keep_file_subjects( rawData: io.RawData, keep_subject: List[str] -) -> Tuple[io.RawData, int, int]: +) -> Tuple[io.RawData, int]: _, fam, bed, pheno, covar = rawData + # we just need to filter out the subjects in genotype file + # because later pheno and covar will be inner merged with fam file old_fam_num = fam.shape[0] - old_pheno_num = pheno.shape[0] bed = bed[fam.iid.isin(keep_subject).values, :] fam = fam.loc[fam.iid.isin(keep_subject)].reset_index(drop=True) - pheno = pheno.loc[pheno.iid.isin(keep_subject)].reset_index(drop=True) - - if covar is not None: - covar = covar.loc[covar.iid.isin(keep_subject)].reset_index(drop=True) del_fam_num = old_fam_num - fam.shape[0] - del_pheno_num = old_pheno_num - pheno.shape[0] rawData = rawData._replace( fam=fam, - pheno=pheno, bed=bed, - covar=covar, ) - return rawData, del_fam_num, del_pheno_num + return rawData, del_fam_num def _drop_na_subjects(rawData: io.RawData) -> Tuple[io.RawData, int, int]: @@ -112,26 +106,6 @@ def _drop_na_subjects(rawData: io.RawData) -> Tuple[io.RawData, int, int]: return rawData, len(drop_idx_name), len_drop_idx_name -def _remove_ambiguous_geno(rawData: io.RawData) -> Tuple[io.RawData, int]: - bim, _, bed, _, _ = rawData - - ambiguous_snps = ["AT", "TA", "CG", "GC"] - ambiguous_idx = jnp.where((bim.a0.values + bim.a1.values).isin(ambiguous_snps))[0] - - # ambiguous_idx is the positional index, but drop use the index label, so we need to convert it - drop_idx = bim.index[ambiguous_idx] - bim = bim.drop(drop_idx).reset_index(drop=True) - - bed = jnp.delete(bed, ambiguous_idx, 1) - - rawData = rawData._replace( - bim=bim, - bed=bed, - ) - - return rawData, len(drop_idx) - - def _remove_dup_geno(rawData: io.RawData) -> Tuple[io.RawData, int]: bim, _, bed, _, _ = rawData @@ -569,7 +543,7 @@ def process_raw( rawData: List[io.RawData], keep_subject: List[str], pi: pd.DataFrame, - remove_ambiguous: bool, + keep_ambiguous: bool, maf: float, rint: bool, no_regress: bool, @@ -589,7 +563,7 @@ def process_raw( rawData: Raw data for phenotypes, genotypes, covariates across ancestries. keep_subject: The DataFrame that contains subject ID that fine-mapping performs on. pi: The DataFrame that contains prior weights for each SNP to be causal. - remove_ambiguous: The indicator whether to remove ambiguous SNPs. + keep_ambiguous: The indicator whether to keep ambiguous SNPs. maf: The minor allele frequency threshold to filter the genotypes. rint: The indicator whether to perform rank inverse normalization on each phenotype data. no_regress: The indicator whether to regress genotypes on covariates. @@ -616,12 +590,10 @@ def process_raw( # remove subjects that are not in the keep file if len(keep_subject) != 0: old_fam_num = rawData[idx].fam.shape[0] - old_pheno_num = rawData[idx].pheno.shape[0] ( rawData[idx], del_fam_num, - del_pheno_num, ) = _keep_file_subjects(rawData[idx], keep_subject) if len(rawData[idx].fam) == 0: @@ -642,12 +614,6 @@ def process_raw( + " because these subjects are not listed in the subject keep file." ) - if del_pheno_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_pheno_num} out of {old_pheno_num} subjects in the phenotype data" - + " because these subjects are not listed in the subject keep file." - ) - # remove NA/inf value for subjects across phenotype or covariates data old_subject_num = rawData[idx].fam.shape[0] rawData[idx], del_num_pheno, del_num_covar = _drop_na_subjects(rawData[idx]) @@ -676,22 +642,6 @@ def process_raw( + " Check the source." ) - # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data - # we just need to remove it for the first ancestry, later ancestries will be merged into first ancestry - if remove_ambiguous and idx == 0: - old_snp_num = rawData[idx].bim.shape[0] - rawData[idx], del_num = _remove_ambiguous_geno(rawData[idx]) - - if del_num == old_snp_num: - raise ValueError( - f"Ancestry {idx + 1}: All SNPs are ambiguous in genotype data. Check the source." - ) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} ambiguous SNPs out of {old_snp_num} in genotype data." - ) - old_snp_num = rawData[idx].bim.shape[0] # impute genotype data even though we suggest users to impute the genotypes beforehand rawData[idx], del_num, imp_num = _impute_geno(rawData[idx]) @@ -799,6 +749,21 @@ def process_raw( snps = snps.reset_index(drop=True) + # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data + if not keep_ambiguous: + ambiguous_snps = ["AT", "TA", "CG", "GC"] + if_ambig = (snps.a0_1.values + snps.a1_1.values).isin(ambiguous_snps) + del_num = if_ambig.sum() + snps = snps[~if_ambig].reset_index(drop=True) + + if snps.shape[0] == 0: + raise ValueError( + "All SNPs are ambiguous in genotype data. Check the source." + ) + + if del_num != 0: + log.logger.debug(f"Drop {del_num} ambiguous SNPs in genotype data.") + # find flipped reference alleles across ancestries flip_idx = [] if n_pop > 1: @@ -1139,7 +1104,7 @@ def run_finemap(args): rawData, keep_subject, pi, - args.remove_ambiguous, + args.keep_ambiguous, args.maf, args.rint, args.no_regress, @@ -1503,14 +1468,15 @@ def build_finemap_parser(subp): ) finemap.add_argument( - "--remove-ambiguous", + "--keep-ambiguous", default=False, action="store_true", help=( - "Indicator to remove ambiguous SNPs (i.e., A/T, T/A, C/G, or G/C pairs) from the genotypes.", - " Recommend to remove these SNPs if each ancestry data is from different studies.", - " Default is False (not to remove).", - " Specify --remove-ambiguous will store 'True' value.", + "Indicator to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or G/C pairs) from the genotypes.", + " Recommend to remove these SNPs if each ancestry data is from different studies", + " or plan to use the inference results for downstream analysis with other datasets." + " Default is False (not to keep).", + " Specify --keep-ambiguous will store 'True' value.", ), ) From 15a0d9f019127f92a9d9f7871cbc0615e355d68e Mon Sep 17 00:00:00 2001 From: Zeyun Date: Wed, 18 Sep 2024 10:09:10 -0400 Subject: [PATCH 05/14] enhance codes and addd summary version --- data/AFR.gwas | 110 +++++++ data/AFR.ld | 110 +++++++ data/EUR.gwas | 110 +++++++ data/EUR.ld | 110 +++++++ data/HIS.gwas | 110 +++++++ data/HIS.ld | 110 +++++++ data/make_example.py | 42 +++ sushie/infer.py | 24 +- sushie/infer_ss.py | 689 +++++++++++++++++++++++++++++++++++++++++++ 9 files changed, 1400 insertions(+), 15 deletions(-) create mode 100644 data/AFR.gwas create mode 100644 data/AFR.ld create mode 100644 data/EUR.gwas create mode 100644 data/EUR.ld create mode 100644 data/HIS.gwas create mode 100644 data/HIS.ld create mode 100644 sushie/infer_ss.py diff --git a/data/AFR.gwas b/data/AFR.gwas new file mode 100644 index 0000000..347aa5b --- /dev/null +++ b/data/AFR.gwas @@ -0,0 +1,110 @@ +beta se pval zs +-0.08829341179892129 0.08157706752562646 0.27951489116738765 -1.082331278593521 +-0.05400645686487323 0.07552508472769698 0.47482177401212833 -0.7150797256248251 +0.03057443659322014 0.05674825598084977 0.5902316221929809 0.5387731493200033 +0.06081918202888912 0.06275264334276683 0.3328186576789961 0.9691891654138493 +-0.07903856932068686 0.07367995956134778 0.2837993095594127 -1.0727281854013149 +-0.017124315981172363 0.10564737168904348 0.871286876890283 -0.162089370586285 +0.006486437859662563 0.04872916669869057 0.8941468273206432 0.13311202097442934 +0.05802202564202801 0.07393409303468378 0.4328741014040616 0.784780380207124 +0.04892301226829496 0.06831417178353898 0.47416282521005293 0.7161473379683639 +0.023262390585188607 0.04758814324678211 0.6251321156443193 0.48882744730246647 +-0.06879709807279114 0.05184842451431915 0.18502087712076637 -1.3268888826851666 +0.03838492715660274 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0.07206614 0.15466022 0.19951884 0.19951884 0.09910798 0.19951884 0.19019943 0.19019943 0.19405718 0.18712397 0.10767455 0.18554395 0.106163025 0.19836013 0.1605768 0.22012497 0.31312197 -0.12070982 0.21141717 0.31774634 0.2322791 0.20791626 0.3435549 0.3284717 0.43490627 -0.094249874 0.1043373 0.098065935 0.011644253 -0.39374435 -0.14136662 -0.13901013 -0.1506074 0.9654576 0.83027226 0.83571416 0.83571416 1.0000004 diff --git a/data/make_example.py b/data/make_example.py index 10ac159..2ae0119 100644 --- a/data/make_example.py +++ b/data/make_example.py @@ -1,5 +1,6 @@ import pandas as pd from pandas_plink import read_plink +from scipy import stats import jax.numpy as jnp from jax import random @@ -8,6 +9,35 @@ rng_key = random.PRNGKey(1234) +def regress(Z, pheno): + betas = [] + ses = [] + pvals = [] + zs = [] + for snp in Z.T: + beta, inter, rval, pval, se = stats.linregress(snp, pheno) + betas.append(beta) + ses.append(se) + pvals.append(pval) + zs.append(beta / se) + + res = pd.DataFrame({"beta": betas, "se": ses, "pval": pvals, "zs": zs}) + + return res + + +def _compute_ld(G): + G = G.T + n, p = [float(x) for x in G.shape] + mafs = jnp.mean(G, axis=0) / 2 + G -= mafs * 2 + G /= jnp.std(G, axis=0) + + # regularize so that LD is PSD + LD = jnp.dot(G.T, G) / n + return LD + + # flip allele if necessary def _allele_check(baseA0, baseA1, compareA0, compareA1): # no snps that have more than 2 alleles @@ -69,6 +99,10 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): if idx > 0: bed[idx][flip_idx[idx - 1]] = 2 - bed[idx][flip_idx[idx - 1]] +pd.DataFrame(_compute_ld(bed[0])).to_csv("EUR.ld", sep="\t", index=False) +pd.DataFrame(_compute_ld(bed[1])).to_csv("AFR.ld", sep="\t", index=False) +pd.DataFrame(_compute_ld(bed[2])).to_csv("HIS.ld", sep="\t", index=False) + # we assume there exists 2 causal snps, and the heritability is 0.5 (we make it large as demonstrating purpose) # we also assume the qtl effect size correlations are 0.8 for all ancestry pairs # as a result, the per-snp variance is 0.5/2, and the covariance is 0.8*jnp.sqrt((0.5/2)**2) = 0.2 @@ -92,6 +126,7 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): all_pheno = [] all_covar = [] +all_gwas = [] for idx in range(n_pop): tmp_pheno = fam[idx][["iid"]].copy() # make some random noises @@ -117,6 +152,13 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): tmp_covar["other"] = covar_other all_covar.append(tmp_covar) tmp_covar.to_csv(f"./{pop[idx]}.covar", index=False, header=None, sep="\t") + # run gwas + df_gwas = regress(bed[idx].T, tmp_y) + all_gwas.append(df_gwas) + +all_gwas[0].to_csv("EUR.gwas", index=False, sep="\t") +all_gwas[1].to_csv("AFR.gwas", index=False, sep="\t") +all_gwas[2].to_csv("HIS.gwas", index=False, sep="\t") pd.concat(all_pheno).to_csv("./all.pheno", index=False, header=None, sep="\t") pd.concat(all_covar).to_csv("./all.covar", index=False, header=None, sep="\t") diff --git a/sushie/infer.py b/sushie/infer.py index ee4de41..e9fc7a8 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -18,6 +18,12 @@ "SushieResult", "infer_sushie", "make_cs", + "_PriorAdjustor", + "_AbstractOptFunc", + "_NoopOptFunc", + "_EMOptFunc", + "_compute_posterior", + "_reorder_l", ] @@ -156,7 +162,7 @@ def infer_sushie( Xs: List[ArrayLike], ys: List[ArrayLike], covar: utils.ListArrayOrNone = None, - L: int = 5, + L: int = 10, no_scale: bool = False, no_regress: bool = False, no_update: bool = False, @@ -616,20 +622,14 @@ def _ssr( n_pop, _, n_snps = Xs.shape Xty = jnp.einsum("knp,kn->kp", Xs, ys) - # beta_hat is pxk - beta_hat = (Xty / XtXs).T + rTZDinv = (Xty / priors.resid_var).T # priors.resid_var is kx1, XtXs is kxp, and the result is kxp, and inverse is pxk - shat2 = (priors.resid_var / XtXs).T - # also pxk - inv_shat2 = 1 / shat2 + inv_shat2 = (XtXs / priors.resid_var).T # expand it to diag matrix, so they're pxkxk - shat2 = jnp.eye(n_pop) * shat2[:, jnp.newaxis] inv_shat2 = jnp.eye(n_pop) * inv_shat2[:, jnp.newaxis] - rTZDinv = beta_hat / jnp.diagonal(shat2, axis1=1, axis2=2) - priors = opt_v_func(rTZDinv, inv_shat2, priors, posteriors, prior_adjustor, l_iter) _, posteriors = _compute_posterior(rTZDinv, inv_shat2, priors, posteriors, l_iter) @@ -1169,11 +1169,7 @@ def _infer_test( XtXs = jnp.sum(Xs ** 2, axis=1) elbo_tracker = jnp.array([-jnp.inf]) - elbo_increase = True for o_iter in range(max_iter): - prev_priors = priors - prev_posteriors = posteriors - priors, posteriors, elbo_cur = _update_effects( Xs, ys, @@ -1198,8 +1194,6 @@ def _infer_test( + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." + " If this issue keeps rising for many genes, contact the developer." ) - priors = prev_priors - posteriors = prev_posteriors break decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py new file mode 100644 index 0000000..dbaa25d --- /dev/null +++ b/sushie/infer_ss.py @@ -0,0 +1,689 @@ +import math +from typing import NamedTuple, Optional, Tuple + +import equinox as eqx +import pandas as pd + +import jax.numpy as jnp +from jax import Array, lax, random +from jax.typing import ArrayLike + +from . import infer, log, utils + +__all__ = [ + "infer_sushie_ss", + "make_cs_ss", +] + + +class _LResult_ss(NamedTuple): + Xtys: Array + XtXs: Array + priors: infer.Prior + posteriors: infer.Posterior + prior_adjustor: infer._PriorAdjustor + opt_v_func: infer._AbstractOptFunc + + +def infer_sushie_ss( + lds: ArrayLike, + ns: ArrayLike, + betas: Optional[ArrayLike] = None, + ses: Optional[ArrayLike] = None, + zs: Optional[ArrayLike] = None, + L: int = 10, + no_update: bool = False, + pi: ArrayLike = None, + resid_var: utils.ListFloatOrNone = None, + effect_var: utils.ListFloatOrNone = None, + rho: utils.ListFloatOrNone = None, + max_iter: int = 500, + min_tol: float = 1e-4, + threshold: float = 0.95, + purity: float = 0.5, + max_select: int = 500, + min_snps: int = 100, + no_reorder: bool = False, + seed: int = 12345, +) -> infer.SushieResult: + """The main inference function for running SuShiE. + + Args: + lds: LD matrix for multiple ancestries. + betas: Effect size for multiple ancestries. + ses: Standard error for effect size for multiple ancestries. + zs: molQTL scan z scores for multiple ancestries. + ns: Sample size for each ancestry. + L: Inferred number of eQTLs for the gene. + no_update: Do not update the effect size prior. Default is to update. + pi: The probability prior for one SNP to be causal (:math:`\\pi` in :ref:`Model`). Default is :math:`1` over + the number of SNPs by specifying it as ``None``. + resid_var: Prior residual variance (:math:`\\sigma^2_e` in :ref:`Model`). + Default is :math:`0.001` by specifying it as ``None``. + effect_var: Prior causal effect size variance (:math:`\\sigma^2_{i,b}` in :ref:`Model`). + Default is :math:`0.001` by specifying it as ``None``. + rho: Prior effect size correlation (:math:`\\rho` in :ref:`Model`). + Default is :math:`0.1` by specifying it as ``None``. + max_iter: The maximum iteration for optimization. Default is :math:`500`. + min_tol: The convergence tolerance. Default is :math:`10^{-4}`. + threshold: The credible set threshold. Default is :math:`0.95`. + purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. + Default is :math:`0.5`. + max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. + min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. + no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. + Default is to re-order. + seed: The randomization seed for selecting SNPs in the credible set to compute purity. Default is :math:`12345`. + + Returns: + :py:obj:`SushieResult`: A SuShiE result object that contains prior (:py:obj:`Prior`), + posterior (:py:obj:`Posterior`), ``cs``, ``pip``, ``elbo``, and ``elbo_increase``. + + """ + n_pop = ns.shape[0] + + if len(lds) != n_pop: + raise ValueError( + f"The number of LD matrices ({len(lds)}) does not match the number of ancestries ({n_pop})." + ) + + if not all(ld.shape == lds[0].shape for ld in lds): + raise ValueError("LD matrices do not have the same shape. Check your input.") + + if lds[0].shape[0] != lds[0].shape[1]: + raise ValueError("LD matrices are not square matrices. Check your input.") + + if zs is None: + if betas is None: + raise ValueError( + "Effect sizes or z-scores are not provided. Specify effect sizes or z-scores." + ) + else: + if len(betas) != n_pop: + raise ValueError( + f"The number of effect sizes ({len(betas)}) does not match the number of ancestries ({n_pop})." + ) + + if not all(beta.shape == betas[0].shape for beta in betas): + raise ValueError( + "Effect sizes do not have the same shape. Check your input." + ) + + if betas[0].shape[0] != lds[0].shape[0]: + raise ValueError( + "Effect sizes do not have the same number of SNPs as the LD matrices. Check your input." + ) + + if ses is None: + raise ValueError( + "Standard errors are not provided. Specify standard errors." + ) + else: + if len(ses) != n_pop: + raise ValueError( + f"The number of standard errors ({len(ses)}) does not match the number of ancestries ({n_pop})." + ) + + if not all(se.shape == ses[0].shape for se in ses): + raise ValueError( + "Standard errors do not have the same shape. Check your input." + ) + + if ses[0].shape[0] != lds[0].shape[0]: + raise ValueError( + "Standard errors do not have the same number of SNPs as the LD matrices. Check your input." + ) + zs = betas / ses + else: + if len(zs) != n_pop: + raise ValueError( + f"The number of z-scores ({len(zs)}) does not match the number of ancestries ({n_pop})." + ) + + if not all(z.shape == zs[0].shape for z in zs): + raise ValueError("Z-scores do not have the same shape. Check your input.") + + if zs[0].shape[0] != lds[0].shape[0]: + raise ValueError( + "Z-scores do not have the same number of SNPs as the LD matrices. Check your input." + ) + + if L <= 0: + raise ValueError(f"Inferred L ({L}) is invalid, choose a positive L.") + + if min_tol > 0.1: + log.logger.warning( + f"Minimum intolerance ({min_tol}) is greater than 0.1. Inference may not be accurate." + ) + + if not 0 < threshold < 1: + raise ValueError( + f"CS threshold ({threshold}) is not between 0 and 1. Specify a valid one." + ) + + if not 0 < purity < 1: + raise ValueError( + f"Purity threshold ({purity}) is not between 0 and 1. Specify a valid one." + ) + + if max_select <= 0: + raise ValueError( + "The maximum selected number of SNPs for purity is invalid. Choose a positive integer." + ) + + if max_select <= 0: + raise ValueError( + "The minimum number of SNPs to fine-map is invalid. Choose a positive integer." + ) + + if max_select < 100: + raise ValueError( + "The maximum selected number of SNPs is too small thus may miss true positives. Choose a positive integer." + ) + + if pi is not None: + if not (pi > 0).all(): + raise ValueError( + "Prior probability/weights contain negative value. Specify a valid pi prior." + ) + + if pi.shape[0] != lds[0].shape[1]: + raise ValueError( + f"Prior probability/weights ({pi.shape[0]}) does not match the number of SNPs ({lds[0].shape[1]})." + ) + + if jnp.sum(pi) > 1: + log.logger.debug( + "Prior probability/weights sum to more than 1. Will normalize to sum to 1." + ) + pi = float(pi / jnp.sum(pi)) + + # first regress out covariates if there are any, then scale the genotype and phenotype + + if resid_var is None: + resid_var = [] + for idx in range(n_pop): + resid_var.append(1) + else: + if len(resid_var) != n_pop: + raise ValueError( + f"Number of specified residual prior ({len(resid_var)}) does not match ancestry number ({n_pop})." + ) + resid_var = [float(i) for i in resid_var] + if jnp.any(jnp.array(resid_var) <= 0): + raise ValueError( + f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." + ) + + n_snps = lds[0].shape[0] + + if min_snps < L: + raise ValueError( + f"The number of minimum common SNPs across ancestries ({min_snps}) is less than inferred L ({L})." + ) + + if n_snps < min_snps: + raise ValueError( + f"The number of common SNPs across ancestries ({n_snps}) is less than minimum common " + + "number of SNPs specified." + ) + + param_effect_var = effect_var + if effect_var is None: + effect_var = [1e-3] * n_pop + else: + if len(effect_var) != n_pop: + raise ValueError( + f"Number of specified effect prior ({len(effect_var)}) does not match ancestry number ({n_pop})." + ) + effect_var = [float(i) for i in effect_var] + if jnp.any(jnp.array(effect_var) <= 0): + raise ValueError( + f"The input of effect size prior ({effect_var})is invalid (<0)." + ) + + exp_num_rho = math.comb(n_pop, 2) + param_rho = rho + if rho is None: + rho = [0.1] * exp_num_rho + else: + if n_pop == 1: + log.logger.info( + "Running single-ancestry SuShiE, but --rho is specified. Will ignore." + ) + + if (len(rho) != exp_num_rho) and n_pop != 1: + raise ValueError( + f"Number of specified rho ({len(rho)}) does not match expected" + + f"number {exp_num_rho}.", + ) + rho = [float(i) for i in rho] + # double-check the if it's invalid rho + if jnp.any(jnp.abs(jnp.array(rho)) >= 1): + raise ValueError( + f"The input of rho ({rho}) is invalid (>=1 or <=-1). Check your input." + ) + + effect_covar = jnp.diag(jnp.array(effect_var)) + ct = 0 + for col in range(n_pop): + for row in range(1, n_pop): + if col < row: + _two_sd = jnp.sqrt(effect_var[row] * effect_var[col]) + effect_covar = effect_covar.at[row, col].set(rho[ct] * _two_sd) + effect_covar = effect_covar.at[col, row].set(rho[ct] * _two_sd) + ct += 1 + + if no_update: + # if we specify no_update and rho, we want to keep rho through iterations and update variance + if param_effect_var is None and param_rho is not None and n_pop != 1: + prior_adjustor = infer._PriorAdjustor( + times=jnp.eye(n_pop), + plus=effect_covar - jnp.diag(jnp.diag(effect_covar)), + ) + + log.logger.info( + "No updates on the prior effect correlation rho while updating prior effect variance." + ) + # if we specify no_update and effect_covar, we want to keep variance through iterations, and update rho + elif param_effect_var is not None and param_rho is None and n_pop != 1: + prior_adjustor = infer._PriorAdjustor( + times=jnp.ones((n_pop, n_pop)) - jnp.eye(n_pop), + plus=effect_covar * jnp.eye(n_pop), + ) + log.logger.info( + "No updates on the prior effect variance while updating prior effect correlation rho." + ) + # if we (do not specify effect_covar and rho) or (specify both effect_covar and rho) + # nothing is updated through iterations + else: + prior_adjustor = infer._PriorAdjustor( + times=jnp.zeros((n_pop, n_pop)), plus=effect_covar + ) + log.logger.info( + "No updates on the prior effect size variance/covariance matrix." + ) + else: + prior_adjustor = infer._PriorAdjustor( + times=jnp.ones((n_pop, n_pop)), plus=jnp.zeros((n_pop, n_pop)) + ) + + # define: + # k is ancestry + # n is sample size + # p is SNP + # l is the number of effects + + priors = infer.Prior( + # p x 1 + pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, + # k x 1 + resid_var=jnp.array(resid_var)[:, jnp.newaxis], + # l x k x k + effect_covar=jnp.array([effect_covar] * L), + ) + + posteriors = infer.Posterior( + # l x p + alpha=jnp.zeros((L, n_snps)), + # l x p x k + post_mean=jnp.zeros((L, n_snps, n_pop)), + # l x p x k x k + post_mean_sq=jnp.zeros((L, n_snps, n_pop, n_pop)), + # l x n x n + weighted_sum_covar=jnp.zeros((L, n_pop, n_pop)), + kl=jnp.zeros((L,)), + ) + + # since we use prior adjustor, this is really no need + # opt_v_func = NoopOptFunc() would work + opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() + + # get XtXs and Xtys + # Zou et al. Plos Genet + sigma2 = ns / (zs ** 2 + ns) + Xtys = jnp.sqrt(ns) * sigma2 * zs + # new_lds = lds + jnp.eye(lds.shape[1]) * 0.1 + new_lds = lds + XtXs = ns[:, :, jnp.newaxis] * new_lds + + elbo_tracker = jnp.array([-jnp.inf]) + elbo_increase = True + for o_iter in range(max_iter): + prev_priors = priors + prev_posteriors = posteriors + + priors, posteriors, elbo_cur = _update_effects_ss( + Xtys, + XtXs, + ns, + priors, + posteriors, + prior_adjustor, + opt_v_func, + ) + elbo_last = elbo_tracker[o_iter] + elbo_tracker = jnp.append(elbo_tracker, elbo_cur) + elbo_increase = elbo_cur >= elbo_last or jnp.isclose( + elbo_cur, elbo_last, atol=1e-8 + ) + + if not elbo_increase: + log.logger.warning( + f"Optimization concludes after {o_iter + 1} iterations." + + f" ELBO decreases. Final ELBO score: {elbo_cur}. Return last iteration's results." + + " It can be precision issue," + + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." + + " If this issue keeps rising for many genes, contact the developer." + ) + priors = prev_priors + posteriors = prev_posteriors + break + + decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 + + if jnp.abs(elbo_cur - elbo_last) < min_tol: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach minimum tolerance threshold {min_tol}.", + ) + break + + if o_iter + 1 == max_iter: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach maximum iteration threshold {max_iter}.", + ) + + l_order = jnp.arange(L) + if not no_reorder: + priors, posteriors, l_order = infer._reorder_l(priors, posteriors) + + cs, full_alphas, pip_all, pip_cs = make_cs_ss( + posteriors.alpha, + lds, + ns, + threshold, + purity, + max_select, + seed, + ) + + return infer.SushieResult( + priors, + posteriors, + pip_all, + pip_cs, + cs, + full_alphas, + ns, + elbo_tracker, + elbo_increase, + l_order, + ) + + +@eqx.filter_jit +def _update_effects_ss( + Xtys: ArrayLike, + XtXs: ArrayLike, + ns: ArrayLike, + priors: infer.Prior, + posteriors: infer.Posterior, + prior_adjustor: infer._PriorAdjustor, + opt_v_func: infer._AbstractOptFunc, +) -> Tuple[infer.Prior, infer.Posterior, Array]: + l_dim, n_snps, n_pop = posteriors.post_mean.shape + + # reduce from lxpxk to pxk + post_mean_lsum = jnp.sum(posteriors.post_mean, axis=0) + + residual = Xtys - jnp.einsum("kpq,qk->kp", XtXs, post_mean_lsum) + + init_l_result = _LResult_ss( + Xtys=residual, + XtXs=XtXs, + priors=priors, + posteriors=posteriors, + prior_adjustor=prior_adjustor, + opt_v_func=opt_v_func, + ) + + l_result = lax.fori_loop(0, l_dim, _update_l, init_l_result) + + _, _, priors, posteriors, _, _ = l_result + + # from lxpxk to kxpxl + tr_b_s = posteriors.post_mean.T + # from lxpxkxk to lxpxk (get the diagonal), then become kxpxl + tr_bsq_s = jnp.diagonal(posteriors.post_mean_sq, axis1=2, axis2=3).T + + exp_ll = jnp.sum(_eloglike_ss(Xtys, XtXs, ns, tr_b_s, tr_bsq_s, priors.resid_var)) + sigma2 = _erss_ss(Xtys, XtXs, ns, tr_b_s, tr_bsq_s)[:, jnp.newaxis] / ns + kl_divs = jnp.sum(posteriors.kl) + elbo_score = exp_ll - kl_divs + + priors = priors._replace(resid_var=sigma2) + + return priors, posteriors, elbo_score + + +def _update_l(l_iter: int, param: _LResult_ss) -> _LResult_ss: + residual, XtXs, priors, posteriors, prior_adjustor, opt_v_func = param + + residual_l = residual + jnp.einsum( + "kpq,kq->kp", XtXs, posteriors.post_mean[l_iter].T + ) + + priors, posteriors = _ssr_ss( + residual_l, + XtXs, + priors, + posteriors, + prior_adjustor, + l_iter, + opt_v_func, + ) + + residual = residual_l - jnp.einsum( + "kpq,kq->kp", XtXs, posteriors.post_mean[l_iter].T + ) + + update_param = param._replace( + Xtys=residual, + priors=priors, + posteriors=posteriors, + ) + + return update_param + + +def _ssr_ss( + Xtys: ArrayLike, + XtXs: ArrayLike, + priors: infer.Prior, + posteriors: infer.Posterior, + prior_adjustor: infer._PriorAdjustor, + l_iter: int, + opt_v_func: infer._AbstractOptFunc, +) -> Tuple[infer.Prior, infer.Posterior]: + + n_pop, n_snps = Xtys.shape + + rTZDinv = (Xtys / priors.resid_var).T + + # priors.resid_var is kx1, XtXs is kxpxp, and the result is kxp, and inverse is pxk + inv_shat2 = (jnp.diagonal(XtXs, axis1=1, axis2=2) / priors.resid_var).T + + # expand it to diag matrix, so they're pxkxk + inv_shat2 = jnp.eye(n_pop) * inv_shat2[:, jnp.newaxis] + + priors = opt_v_func(rTZDinv, inv_shat2, priors, posteriors, prior_adjustor, l_iter) + + _, posteriors = infer._compute_posterior( + rTZDinv, inv_shat2, priors, posteriors, l_iter + ) + + return priors, posteriors + + +def _eloglike_ss( + Xtys: ArrayLike, + XtXs: ArrayLike, + ns: ArrayLike, + beta: ArrayLike, + beta_sq: ArrayLike, + sigma_sq: ArrayLike, +) -> Array: + norm_term = -(0.5 * ns) * jnp.log(2 * jnp.pi * sigma_sq) + quad_term = ( + -(0.5 / sigma_sq) * _erss_ss(Xtys, XtXs, ns, beta, beta_sq)[:, jnp.newaxis] + ) + return norm_term + quad_term + + +def _erss_ss( + Xtys: ArrayLike, XtXs: ArrayLike, ns: ArrayLike, beta: ArrayLike, beta_sq: ArrayLike +) -> Array: + + ebeta = jnp.sum(beta, axis=2) + term_1 = jnp.squeeze(ns) + term_2 = -2 * jnp.diag(Xtys @ ebeta.T) + term_3 = jnp.einsum("kp,kpq,kq->k", ebeta, XtXs, ebeta) + tr_beta = jnp.transpose(beta, axes=(0, 2, 1)) + tr_beta_sq = jnp.transpose(beta_sq, axes=(0, 2, 1)) + v_beta = tr_beta_sq - tr_beta ** 2 + term_4 = jnp.einsum("kp,klp->k", jnp.diagonal(XtXs, axis1=1, axis2=2), v_beta) + + return term_1 + term_2 + term_3 + term_4 + + +def make_cs_ss( + alpha: ArrayLike, + lds: ArrayLike, + ns: ArrayLike, + threshold: float = 0.9, + purity: float = 0.5, + max_select: int = 500, + seed: int = 12345, +) -> Tuple[pd.DataFrame, pd.DataFrame, Array, Array]: + """The function to compute the credible sets. + + Args: + alpha: :math:`L \\times p` matrix that contains posterior probability for SNP to be causal + (i.e., :math:`\\alpha` in :ref:`Model`). + Xs: Genotype data for multiple ancestries. + ns: Sample size for each ancestry. + threshold: The credible set threshold. + purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. + max_select: The maximum number of selected SNPs to compute purity. + seed: The randomization seed for selecting SNPs in the credible set to compute purity. + + Returns: + :py:obj:`Tuple[pd.DataFrame, pd.DataFrame]`: A tuple of + #. credible set (:py:obj:`pd.DataFrame`) after pruning for purity, + #. full credible set (:py:obj:`pd.DataFrame`) before pruning for purity. + #. PIPs (:py:obj:`Array`) across :math:`L` credible sets. + #. PIPs (:py:obj:`Array`) across credible sets that are not pruned. An array of zero if all credible sets + are pruned. + + """ + rng_key = random.PRNGKey(seed) + n_l, n_snps = alpha.shape + t_alpha = pd.DataFrame(alpha.T).reset_index() + + cs = pd.DataFrame(columns=["CSIndex", "SNPIndex", "alpha", "c_alpha"]) + full_alphas = t_alpha[["index"]] + + for ldx in range(n_l): + # select original index and alpha + tmp_pd = ( + t_alpha[["index", ldx]] + .sort_values(ldx, ascending=False) + .reset_index(drop=True) + ) + tmp_pd["csum"] = tmp_pd[[ldx]].cumsum() + n_row = tmp_pd[tmp_pd.csum < threshold].shape[0] + + # if select rows less than total rows, n_row + 1 + if n_row == tmp_pd.shape[0]: + select_idx = jnp.arange(n_row) + else: + select_idx = jnp.arange(n_row + 1) + + # output CS Index is 1-based + tmp_cs = ( + tmp_pd.iloc[select_idx, :] + .assign(CSIndex=(ldx + 1)) + .rename(columns={"csum": "c_alpha", "index": "SNPIndex", ldx: "alpha"}) + ) + + tmp_pd["in_cs"] = (tmp_pd.index.values <= jnp.max(select_idx)) * 1 + + # prepare alphas table's entries + tmp_pd = tmp_pd.drop(["csum"], axis=1).rename( + columns={ + "in_cs": f"in_cs_l{ldx + 1}", + ldx: f"alpha_l{ldx + 1}", + } + ) + + full_alphas = full_alphas.merge(tmp_pd, how="left", on="index") + + # check the purity + snp_idx = tmp_cs.SNPIndex.values.astype("int64") + + # randomly select `max_select` SNPs + if len(snp_idx) > max_select: + snp_idx = random.choice( + rng_key, snp_idx, shape=(max_select,), replace=False + ) + + # update the genotype data and LD + ld = lds[:, snp_idx, :][:, :, snp_idx] + + ss_weight = ns / jnp.sum(ns) + + avg_corr = jnp.sum( + jnp.min(jnp.abs(ld), axis=(1, 2))[:, jnp.newaxis] * ss_weight + ) + + full_alphas[f"purity_l{ldx + 1}"] = avg_corr + + if avg_corr > purity: + cs = pd.concat([cs, tmp_cs], ignore_index=True) + full_alphas[f"kept_l{ldx + 1}"] = 1 + else: + full_alphas[f"kept_l{ldx + 1}"] = 0 + + pip_all = utils.make_pip(alpha) + + # CSIndex is now 1-based + pip_cs = utils.make_pip( + alpha[ + (cs.CSIndex.unique().astype(int) - 1), + ] + ) + + n_snp_cs = cs.SNPIndex.values.astype(int) + n_snp_cs_unique = jnp.unique(cs.SNPIndex.values.astype(int)) + + if len(n_snp_cs) != len(n_snp_cs_unique): + log.logger.warning( + "Same SNPs appear in different credible set, which is very unusual." + + " You may want to check this gene in details." + ) + + cs["pip_all"] = jnp.array([pip_all[idx] for idx in cs.SNPIndex.values.astype(int)]) + cs["pip_cs"] = jnp.array([pip_cs[idx] for idx in cs.SNPIndex.values.astype(int)]) + + full_alphas["pip_all"] = pip_all + full_alphas["pip_cs"] = pip_cs + full_alphas = full_alphas.rename(columns={"index": "SNPIndex"}) + + log.logger.info( + f"{len(cs.CSIndex.unique())} out of {n_l} credible sets remain after pruning based on purity ({purity})." + + " For detailed results, specify --alphas." + ) + + return cs, full_alphas, pip_all, pip_cs From 2f161f41d5db885014b27c961a15af7629b69435 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Wed, 18 Sep 2024 14:12:51 -0400 Subject: [PATCH 06/14] fix bugs --- data/make_example.py | 10 ++++++---- sushie/infer_ss.py | 10 ++++++++-- 2 files changed, 14 insertions(+), 6 deletions(-) diff --git a/data/make_example.py b/data/make_example.py index 2ae0119..1a37579 100644 --- a/data/make_example.py +++ b/data/make_example.py @@ -92,12 +92,14 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): snps = snps.drop(columns=[f"a0_{idx}", f"a1_{idx}"]) snps = snps.rename(columns={"a0_0": "a0", "a1_0": "a1"}) +lds = [] for idx in range(n_pop): # subset genotype file to common snps bed[idx] = bed[idx][snps[f"bimIDX_{idx}"].values, :].compute() # flip the mismatched allele if idx > 0: bed[idx][flip_idx[idx - 1]] = 2 - bed[idx][flip_idx[idx - 1]] + lds.append(_compute_ld(bed[idx])) pd.DataFrame(_compute_ld(bed[0])).to_csv("EUR.ld", sep="\t", index=False) pd.DataFrame(_compute_ld(bed[1])).to_csv("AFR.ld", sep="\t", index=False) @@ -156,14 +158,14 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): df_gwas = regress(bed[idx].T, tmp_y) all_gwas.append(df_gwas) -all_gwas[0].to_csv("EUR.gwas", index=False, sep="\t") -all_gwas[1].to_csv("AFR.gwas", index=False, sep="\t") -all_gwas[2].to_csv("HIS.gwas", index=False, sep="\t") - pd.concat(all_pheno).to_csv("./all.pheno", index=False, header=None, sep="\t") pd.concat(all_covar).to_csv("./all.covar", index=False, header=None, sep="\t") pd.concat(fam_index).to_csv("./all.ancestry.index", index=False, header=None, sep="\t") +all_gwas[0].to_csv("./EUR.gwas", index=False, header=True, sep="\t") +all_gwas[1].to_csv("./AFR.gwas", index=False, header=True, sep="\t") +all_gwas[2].to_csv("./HIS.gwas", index=False, header=True, sep="\t") + # create keep.subject file, randomly 1500 from 1609 individuals rng_key, pt_key = random.split(rng_key, 2) sel_pt = random.randint( diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index dbaa25d..b4782fd 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -342,7 +342,7 @@ def infer_sushie_ss( # get XtXs and Xtys # Zou et al. Plos Genet sigma2 = ns / (zs ** 2 + ns) - Xtys = jnp.sqrt(ns) * sigma2 * zs + Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs # new_lds = lds + jnp.eye(lds.shape[1]) * 0.1 new_lds = lds XtXs = ns[:, :, jnp.newaxis] * new_lds @@ -547,12 +547,18 @@ def _erss_ss( ) -> Array: ebeta = jnp.sum(beta, axis=2) + # N, ns is k by 1 term_1 = jnp.squeeze(ns) - term_2 = -2 * jnp.diag(Xtys @ ebeta.T) + # -2 * E(beta)(Xty) + term_2 = -2 * jnp.sum(ebeta * Xtys, axis=1) + # eb * XtXs * eb term_3 = jnp.einsum("kp,kpq,kq->k", ebeta, XtXs, ebeta) + # beta was kxpxl, convert it to kxlxp tr_beta = jnp.transpose(beta, axes=(0, 2, 1)) tr_beta_sq = jnp.transpose(beta_sq, axes=(0, 2, 1)) + # vb = e(beta^2) - e(beta)^2 v_beta = tr_beta_sq - tr_beta ** 2 + # sum over all l and sum over all p (trace) term_4 = jnp.einsum("kp,klp->k", jnp.diagonal(XtXs, axis1=1, axis2=2), v_beta) return term_1 + term_2 + term_3 + term_4 From ce9ccea0d211df59caf22b6413a16515ffdb1390 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Wed, 18 Sep 2024 21:47:28 -0400 Subject: [PATCH 07/14] fix bugs --- data/AFR.gwas | 218 +++++++++++++++++++++---------------------- data/EUR.gwas | 218 +++++++++++++++++++++---------------------- data/HIS.gwas | 218 +++++++++++++++++++++---------------------- data/make_example.py | 7 +- sushie/infer.py | 2 +- sushie/infer_ss.py | 88 +++++++---------- 6 files changed, 368 insertions(+), 383 deletions(-) diff --git a/data/AFR.gwas b/data/AFR.gwas index 347aa5b..71efed6 100644 --- a/data/AFR.gwas +++ b/data/AFR.gwas @@ -1,110 +1,110 @@ beta se pval zs --0.08829341179892129 0.08157706752562646 0.27951489116738765 -1.082331278593521 --0.05400645686487323 0.07552508472769698 0.47482177401212833 -0.7150797256248251 -0.03057443659322014 0.05674825598084977 0.5902316221929809 0.5387731493200033 -0.06081918202888912 0.06275264334276683 0.3328186576789961 0.9691891654138493 --0.07903856932068686 0.07367995956134778 0.2837993095594127 -1.0727281854013149 --0.017124315981172363 0.10564737168904348 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0.04537533072028928 0.009981124733390334 -2.5867925149769535 +-0.11597825014994492 0.0453828263308276 0.010909661492457477 -2.555553708896339 +-0.11155163555920147 0.04540598410755265 0.014373247499794996 -2.456760661655749 +-0.15531082036546434 0.04513673397409898 0.0006305234448479047 -3.440896287591102 +-0.21186615902448186 0.044653920437474195 2.7613292470600496e-06 -4.744626159334508 +-0.21036291330186374 0.0446687560766039 3.2588910313252797e-06 -4.709397166581168 +-0.21036291330186374 0.0446687560766039 3.2588910313252797e-06 -4.709397166581168 +-0.15659795210315502 0.045127448046755496 0.0005672398401954398 -3.4701264724942464 diff --git a/data/make_example.py b/data/make_example.py index 1a37579..6168391 100644 --- a/data/make_example.py +++ b/data/make_example.py @@ -155,7 +155,12 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): all_covar.append(tmp_covar) tmp_covar.to_csv(f"./{pop[idx]}.covar", index=False, header=None, sep="\t") # run gwas - df_gwas = regress(bed[idx].T, tmp_y) + gwas_bed = bed[idx].T + gwas_bed -= jnp.mean(gwas_bed, axis=0) + gwas_bed /= jnp.std(gwas_bed, axis=0) + tmp_y -= jnp.mean(tmp_y) + tmp_y /= jnp.std(tmp_y) + df_gwas = regress(gwas_bed, tmp_y) all_gwas.append(df_gwas) pd.concat(all_pheno).to_csv("./all.pheno", index=False, header=None, sep="\t") diff --git a/sushie/infer.py b/sushie/infer.py index e9fc7a8..6862407 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -650,7 +650,6 @@ def _compute_posterior( prior_covar = priors.effect_covar[l_iter] # post_covar is pxkxk post_covar = jnp.linalg.inv(inv_shat2 + jnp.linalg.inv(prior_covar)) - # pxk # dim m = dim k for the next two lines post_mean = jnp.einsum("pkm,pm->pk", post_covar, rTZDinv) @@ -745,6 +744,7 @@ def _erss(X: ArrayLike, y: ArrayLike, beta: ArrayLike, beta_sq: ArrayLike) -> Ar term_1 = jnp.sum((y - jnp.sum(mu_li, axis=2)) ** 2, axis=1) # sum across n and l, then term_2 is kx1 term_2 = jnp.sum(mu2_li - (mu_li ** 2), axis=(1, 2)) + return term_1 + term_2 diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index b4782fd..acbd3a9 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -30,7 +30,6 @@ def infer_sushie_ss( ns: ArrayLike, betas: Optional[ArrayLike] = None, ses: Optional[ArrayLike] = None, - zs: Optional[ArrayLike] = None, L: int = 10, no_update: bool = False, pi: ArrayLike = None, @@ -93,59 +92,42 @@ def infer_sushie_ss( if lds[0].shape[0] != lds[0].shape[1]: raise ValueError("LD matrices are not square matrices. Check your input.") - if zs is None: - if betas is None: + if betas is None: + raise ValueError( + "Effect sizes are not provided. Specify effect sizes or z-scores." + ) + else: + if len(betas) != n_pop: raise ValueError( - "Effect sizes or z-scores are not provided. Specify effect sizes or z-scores." + f"The number of effect sizes ({len(betas)}) does not match the number of ancestries ({n_pop})." ) - else: - if len(betas) != n_pop: - raise ValueError( - f"The number of effect sizes ({len(betas)}) does not match the number of ancestries ({n_pop})." - ) - - if not all(beta.shape == betas[0].shape for beta in betas): - raise ValueError( - "Effect sizes do not have the same shape. Check your input." - ) - - if betas[0].shape[0] != lds[0].shape[0]: - raise ValueError( - "Effect sizes do not have the same number of SNPs as the LD matrices. Check your input." - ) - - if ses is None: - raise ValueError( - "Standard errors are not provided. Specify standard errors." - ) - else: - if len(ses) != n_pop: - raise ValueError( - f"The number of standard errors ({len(ses)}) does not match the number of ancestries ({n_pop})." - ) - - if not all(se.shape == ses[0].shape for se in ses): - raise ValueError( - "Standard errors do not have the same shape. Check your input." - ) - - if ses[0].shape[0] != lds[0].shape[0]: - raise ValueError( - "Standard errors do not have the same number of SNPs as the LD matrices. Check your input." - ) - zs = betas / ses + + if not all(beta.shape == betas[0].shape for beta in betas): + raise ValueError( + "Effect sizes do not have the same shape. Check your input." + ) + + if betas[0].shape[0] != lds[0].shape[0]: + raise ValueError( + "Effect sizes do not have the same number of SNPs as the LD matrices. Check your input." + ) + + if ses is None: + raise ValueError("Standard errors are not provided. Specify standard errors.") else: - if len(zs) != n_pop: + if len(ses) != n_pop: raise ValueError( - f"The number of z-scores ({len(zs)}) does not match the number of ancestries ({n_pop})." + f"The number of standard errors ({len(ses)}) does not match the number of ancestries ({n_pop})." ) - if not all(z.shape == zs[0].shape for z in zs): - raise ValueError("Z-scores do not have the same shape. Check your input.") + if not all(se.shape == ses[0].shape for se in ses): + raise ValueError( + "Standard errors do not have the same shape. Check your input." + ) - if zs[0].shape[0] != lds[0].shape[0]: + if ses[0].shape[0] != lds[0].shape[0]: raise ValueError( - "Z-scores do not have the same number of SNPs as the LD matrices. Check your input." + "Standard errors do not have the same number of SNPs as the LD matrices. Check your input." ) if L <= 0: @@ -340,12 +322,9 @@ def infer_sushie_ss( opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() # get XtXs and Xtys - # Zou et al. Plos Genet - sigma2 = ns / (zs ** 2 + ns) - Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs - # new_lds = lds + jnp.eye(lds.shape[1]) * 0.1 - new_lds = lds - XtXs = ns[:, :, jnp.newaxis] * new_lds + sigma2 = 1 - betas ** 2 + Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * (betas / ses) + XtXs = ns[:, :, jnp.newaxis] * lds elbo_tracker = jnp.array([-jnp.inf]) elbo_increase = True @@ -462,7 +441,6 @@ def _update_effects_ss( sigma2 = _erss_ss(Xtys, XtXs, ns, tr_b_s, tr_bsq_s)[:, jnp.newaxis] / ns kl_divs = jnp.sum(posteriors.kl) elbo_score = exp_ll - kl_divs - priors = priors._replace(resid_var=sigma2) return priors, posteriors, elbo_score @@ -509,7 +487,7 @@ def _ssr_ss( ) -> Tuple[infer.Prior, infer.Posterior]: n_pop, n_snps = Xtys.shape - + # Xtys is kxp, priors.resid_var is kx1, and the result is kxp, transpose is pxk rTZDinv = (Xtys / priors.resid_var).T # priors.resid_var is kx1, XtXs is kxpxp, and the result is kxp, and inverse is pxk @@ -546,10 +524,12 @@ def _erss_ss( Xtys: ArrayLike, XtXs: ArrayLike, ns: ArrayLike, beta: ArrayLike, beta_sq: ArrayLike ) -> Array: + # beta is kxpxl ebeta = jnp.sum(beta, axis=2) # N, ns is k by 1 term_1 = jnp.squeeze(ns) # -2 * E(beta)(Xty) + # ebeta is kxp, and Xtys is kxp, multiply them still kxp, and sum over p, so it's k term_2 = -2 * jnp.sum(ebeta * Xtys, axis=1) # eb * XtXs * eb term_3 = jnp.einsum("kp,kpq,kq->k", ebeta, XtXs, ebeta) From e8cd972db8eeeb42efe144e1e85b33e60ae07d15 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Thu, 19 Sep 2024 00:18:15 -0400 Subject: [PATCH 08/14] fix bugs --- data/AFR.covar | 1278 ++++++++--------- data/AFR.gwas | 218 +-- data/AFR.pheno | 1278 ++++++++--------- data/EAS.covar | 962 ++++++------- data/EAS.pheno | 962 ++++++------- data/EUR.covar | 978 ++++++------- data/EUR.gwas | 218 +-- data/EUR.pheno | 978 ++++++------- data/HIS.gwas | 218 +-- data/all.covar | 3218 +++++++++++++++++++++--------------------- data/all.pheno | 3218 +++++++++++++++++++++--------------------- data/keep.subject | 2890 ++++++++++++++++++------------------- data/make_example.py | 2 + data/prior_weights | 218 +-- sushie/infer_ss.py | 58 +- 15 files changed, 8336 insertions(+), 8358 deletions(-) diff --git a/data/AFR.covar b/data/AFR.covar index 5f59eaa..3198889 100644 --- a/data/AFR.covar +++ b/data/AFR.covar @@ -1,639 +1,639 @@ -HG01879 1 -0.751064 -HG01880 0 1.496962 -HG01882 1 -0.67331076 -HG01883 1 0.97160983 -HG01885 1 0.18845944 -HG01886 0 0.79741675 -HG01889 0 -0.10225517 -HG01890 0 -0.38019434 -HG01894 1 0.22922377 -HG01896 1 -0.10684427 -HG01912 1 0.24155913 -HG01914 1 -0.95706874 -HG01915 1 0.94341296 -HG01956 0 -0.6462776 -HG01958 1 1.3345245 -HG01985 0 0.20564587 -HG01986 0 1.7492747 -HG01988 0 0.6599683 -HG01989 1 -0.9052005 -HG01990 0 -0.24367961 -HG02009 0 0.34489694 -HG02010 0 1.3667963 -HG02012 0 0.23715302 -HG02013 0 1.7768165 -HG02014 1 0.24583508 -HG02051 1 1.081512 -HG02052 0 0.13355868 -HG02053 0 0.026490286 -HG02054 1 -0.7537969 -HG02095 1 -1.9824265 -HG02107 1 0.8272004 -HG02108 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100644 --- a/data/make_example.py +++ b/data/make_example.py @@ -4,9 +4,11 @@ import jax.numpy as jnp from jax import random +from jax.config import config # set key rng_key = random.PRNGKey(1234) +config.update("jax_enable_x64", True) def regress(Z, pheno): diff --git a/data/prior_weights b/data/prior_weights index ba0d021..c0397ea 100644 --- a/data/prior_weights +++ b/data/prior_weights @@ -1,109 +1,109 @@ -rs2294190 82.629944 -rs4653029 153.17215 -rs2075931 123.91783 -rs1883109 127.030655 -rs2038008 158.2589 -rs17385253 36.513393 -rs2142534 37.721756 -rs12098170 194.61343 -rs4653032 40.086555 -rs4653033 132.69426 -rs10799058 189.72482 -rs2075934 139.20802 -rs11578724 121.33664 -rs12134720 43.281784 -rs10489377 13.916 -rs4653036 11.430512 -rs10799059 176.69559 -rs2075933 61.103603 -rs12035126 64.29181 -rs4653037 24.734858 -rs1016091 189.90926 -rs6425895 107.337944 -rs7544781 167.4216 -rs4653042 181.94672 -rs10799060 135.90553 -rs12409604 191.37685 -rs750882 199.56975 -rs798076 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--git a/sushie/infer_ss.py b/sushie/infer_ss.py index acbd3a9..1065c61 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -1,5 +1,5 @@ import math -from typing import NamedTuple, Optional, Tuple +from typing import NamedTuple, Tuple import equinox as eqx import pandas as pd @@ -28,8 +28,7 @@ class _LResult_ss(NamedTuple): def infer_sushie_ss( lds: ArrayLike, ns: ArrayLike, - betas: Optional[ArrayLike] = None, - ses: Optional[ArrayLike] = None, + zs: ArrayLike, L: int = 10, no_update: bool = False, pi: ArrayLike = None, @@ -49,8 +48,6 @@ def infer_sushie_ss( Args: lds: LD matrix for multiple ancestries. - betas: Effect size for multiple ancestries. - ses: Standard error for effect size for multiple ancestries. zs: molQTL scan z scores for multiple ancestries. ns: Sample size for each ancestry. L: Inferred number of eQTLs for the gene. @@ -92,42 +89,22 @@ def infer_sushie_ss( if lds[0].shape[0] != lds[0].shape[1]: raise ValueError("LD matrices are not square matrices. Check your input.") - if betas is None: - raise ValueError( - "Effect sizes are not provided. Specify effect sizes or z-scores." - ) + if zs is None: + raise ValueError("Z scores are not provided. Check your input.") else: - if len(betas) != n_pop: + if len(zs) != n_pop: raise ValueError( - f"The number of effect sizes ({len(betas)}) does not match the number of ancestries ({n_pop})." + f"The number of Z scores ({len(zs)}) does not match the number of ancestries ({n_pop})." ) - if not all(beta.shape == betas[0].shape for beta in betas): + if not all(z.shape == zs[0].shape for z in zs): raise ValueError( - "Effect sizes do not have the same shape. Check your input." + "Z scores across ancestries do not have the same shape. Check your input." ) - if betas[0].shape[0] != lds[0].shape[0]: + if zs[0].shape[0] != lds[0].shape[0]: raise ValueError( - "Effect sizes do not have the same number of SNPs as the LD matrices. Check your input." - ) - - if ses is None: - raise ValueError("Standard errors are not provided. Specify standard errors.") - else: - if len(ses) != n_pop: - raise ValueError( - f"The number of standard errors ({len(ses)}) does not match the number of ancestries ({n_pop})." - ) - - if not all(se.shape == ses[0].shape for se in ses): - raise ValueError( - "Standard errors do not have the same shape. Check your input." - ) - - if ses[0].shape[0] != lds[0].shape[0]: - raise ValueError( - "Standard errors do not have the same number of SNPs as the LD matrices. Check your input." + "Z scores do not have the same number of SNPs as the LD matrices. Check your input." ) if L <= 0: @@ -322,8 +299,8 @@ def infer_sushie_ss( opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() # get XtXs and Xtys - sigma2 = 1 - betas ** 2 - Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * (betas / ses) + sigma2 = ns / (ns + zs ** 2) + Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs XtXs = ns[:, :, jnp.newaxis] * lds elbo_tracker = jnp.array([-jnp.inf]) @@ -417,7 +394,7 @@ def _update_effects_ss( # reduce from lxpxk to pxk post_mean_lsum = jnp.sum(posteriors.post_mean, axis=0) - residual = Xtys - jnp.einsum("kpq,qk->kp", XtXs, post_mean_lsum) + residual = Xtys - jnp.einsum("kpq,kq->kp", XtXs, post_mean_lsum.T) init_l_result = _LResult_ss( Xtys=residual, @@ -536,12 +513,11 @@ def _erss_ss( # beta was kxpxl, convert it to kxlxp tr_beta = jnp.transpose(beta, axes=(0, 2, 1)) tr_beta_sq = jnp.transpose(beta_sq, axes=(0, 2, 1)) - # vb = e(beta^2) - e(beta)^2 - v_beta = tr_beta_sq - tr_beta ** 2 - # sum over all l and sum over all p (trace) - term_4 = jnp.einsum("kp,klp->k", jnp.diagonal(XtXs, axis1=1, axis2=2), v_beta) - return term_1 + term_2 + term_3 + term_4 + term_4 = -1 * jnp.einsum("klp,kpq,klq->k", tr_beta, XtXs, tr_beta) + term_5 = jnp.einsum("kp,klp->k", jnp.diagonal(XtXs, axis1=1, axis2=2), tr_beta_sq) + + return term_1 + term_2 + term_3 + term_4 + term_5 def make_cs_ss( From 2e392cf45e7fde35038f6096bc744f54e4914f12 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Sat, 21 Sep 2024 00:15:46 -0400 Subject: [PATCH 09/14] add time checker function --- sushie/infer.py | 90 ----------------- sushie/infer_ss.py | 233 +++++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 233 insertions(+), 90 deletions(-) diff --git a/sushie/infer.py b/sushie/infer.py index 6862407..71ad189 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -906,10 +906,8 @@ def make_cs( def _infer_test( Xs: List[ArrayLike], ys: List[ArrayLike], - covar: utils.ListArrayOrNone = None, L: int = 5, no_scale: bool = False, - no_regress: bool = False, no_update: bool = False, pi: ArrayLike = None, resid_var: utils.ListFloatOrNone = None, @@ -917,10 +915,6 @@ def _infer_test( rho: utils.ListFloatOrNone = None, max_iter: int = 500, min_tol: float = 1e-4, - threshold: float = 0.95, - purity: float = 0.5, - max_select: int = 500, - min_snps: int = 100, ) -> None: """The main inference function for testing computation time purpose.""" if len(Xs) == len(ys): @@ -930,79 +924,6 @@ def _infer_test( f"The number of geno ({len(Xs)}) and pheno ({len(ys)}) data does not match. Check your input." ) - # check x and y have the same sample size - for idx in range(n_pop): - if Xs[idx].shape[0] != ys[idx].shape[0]: - raise ValueError( - f"Ancestry {idx + 1}: The sample size of geno ({Xs[idx].shape[0]}) " - + f"and pheno ({ys[idx].shape[0]}) data does not match. Check your input." - ) - - # check each ancestry has the same number of SNPs - for idx in range(1, n_pop): - if Xs[idx - 1].shape[1] != Xs[idx].shape[1]: - raise ValueError( - f"Ancestry {idx} and ancestry {idx} do not have " - + f"the same number of SNPs ({Xs[idx - 1].shape[1]} vs {Xs[idx].shape[1]})." - ) - - if L <= 0: - raise ValueError(f"Inferred L ({L}) is invalid, choose a positive L.") - - if min_tol > 0.1: - log.logger.warning( - f"Minimum intolerance ({min_tol}) is greater than 0.1. Inference may not be accurate." - ) - - if not 0 < threshold < 1: - raise ValueError( - f"CS threshold ({threshold}) is not between 0 and 1. Specify a valid one." - ) - - if not 0 < purity < 1: - raise ValueError( - f"Purity threshold ({purity}) is not between 0 and 1. Specify a valid one." - ) - - if max_select <= 0: - raise ValueError( - "The maximum selected number of SNPs for purity is invalid. Choose a positive integer." - ) - - if max_select <= 0: - raise ValueError( - "The minimum number of SNPs to fine-map is invalid. Choose a positive integer." - ) - - if max_select < 100: - raise ValueError( - "The maximum selected number of SNPs is too small thus may miss true positives. Choose a positive integer." - ) - - if pi is not None: - if not (pi > 0).all(): - raise ValueError( - "Prior probability/weights contain negative value. Specify a valid pi prior." - ) - - if pi.shape[0] != Xs[0].shape[1]: - raise ValueError( - f"Prior probability/weights ({pi.shape[0]}) does not match the number of SNPs ({Xs[0].shape[1]})." - ) - - if jnp.sum(pi) > 1: - log.logger.debug( - "Prior probability/weights sum to more than 1. Will normalize to sum to 1." - ) - pi = float(pi / jnp.sum(pi)) - - # first regress out covariates if there are any, then scale the genotype and phenotype - if covar is not None: - for idx in range(n_pop): - Xs[idx], ys[idx] = utils.regress_covar( - Xs[idx], ys[idx], covar[idx], no_regress - ) - # center data for idx in range(n_pop): Xs[idx] -= jnp.mean(Xs[idx], axis=0) @@ -1031,17 +952,6 @@ def _infer_test( _, n_snps = Xs[0].shape - if min_snps < L: - raise ValueError( - f"The number of minimum common SNPs across ancestries ({min_snps}) is less than inferred L ({L})." - ) - - if n_snps < min_snps: - raise ValueError( - f"The number of common SNPs across ancestries ({n_snps}) is less than minimum common " - + "number of SNPs specified." - ) - param_effect_var = effect_var if effect_var is None: effect_var = [1e-3] * n_pop diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index 1065c61..da8bf19 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -649,3 +649,236 @@ def make_cs_ss( ) return cs, full_alphas, pip_all, pip_cs + + +def infer_ss_test( + lds: ArrayLike, + ns: ArrayLike, + zs: ArrayLike, + L: int = 10, + no_update: bool = False, + pi: ArrayLike = None, + resid_var: utils.ListFloatOrNone = None, + effect_var: utils.ListFloatOrNone = None, + rho: utils.ListFloatOrNone = None, + max_iter: int = 500, + min_tol: float = 1e-4, +) -> None: + """The main inference function for running SuShiE. + + Args: + lds: LD matrix for multiple ancestries. + zs: molQTL scan z scores for multiple ancestries. + ns: Sample size for each ancestry. + L: Inferred number of eQTLs for the gene. + no_update: Do not update the effect size prior. Default is to update. + pi: The probability prior for one SNP to be causal (:math:`\\pi` in :ref:`Model`). Default is :math:`1` over + the number of SNPs by specifying it as ``None``. + resid_var: Prior residual variance (:math:`\\sigma^2_e` in :ref:`Model`). + Default is :math:`0.001` by specifying it as ``None``. + effect_var: Prior causal effect size variance (:math:`\\sigma^2_{i,b}` in :ref:`Model`). + Default is :math:`0.001` by specifying it as ``None``. + rho: Prior effect size correlation (:math:`\\rho` in :ref:`Model`). + Default is :math:`0.1` by specifying it as ``None``. + max_iter: The maximum iteration for optimization. Default is :math:`500`. + min_tol: The convergence tolerance. Default is :math:`10^{-4}`. + threshold: The credible set threshold. Default is :math:`0.95`. + purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. + Default is :math:`0.5`. + max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. + min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. + no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. + Default is to re-order. + seed: The randomization seed for selecting SNPs in the credible set to compute purity. Default is :math:`12345`. + + Returns: + :py:obj:`SushieResult`: A SuShiE result object that contains prior (:py:obj:`Prior`), + posterior (:py:obj:`Posterior`), ``cs``, ``pip``, ``elbo``, and ``elbo_increase``. + + """ + n_pop = ns.shape[0] + + # first regress out covariates if there are any, then scale the genotype and phenotype + + if resid_var is None: + resid_var = [] + for idx in range(n_pop): + resid_var.append(1) + else: + if len(resid_var) != n_pop: + raise ValueError( + f"Number of specified residual prior ({len(resid_var)}) does not match ancestry number ({n_pop})." + ) + resid_var = [float(i) for i in resid_var] + if jnp.any(jnp.array(resid_var) <= 0): + raise ValueError( + f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." + ) + + n_snps = lds[0].shape[0] + + param_effect_var = effect_var + if effect_var is None: + effect_var = [1e-3] * n_pop + else: + if len(effect_var) != n_pop: + raise ValueError( + f"Number of specified effect prior ({len(effect_var)}) does not match ancestry number ({n_pop})." + ) + effect_var = [float(i) for i in effect_var] + if jnp.any(jnp.array(effect_var) <= 0): + raise ValueError( + f"The input of effect size prior ({effect_var})is invalid (<0)." + ) + + exp_num_rho = math.comb(n_pop, 2) + param_rho = rho + if rho is None: + rho = [0.1] * exp_num_rho + else: + if n_pop == 1: + log.logger.info( + "Running single-ancestry SuShiE, but --rho is specified. Will ignore." + ) + + if (len(rho) != exp_num_rho) and n_pop != 1: + raise ValueError( + f"Number of specified rho ({len(rho)}) does not match expected" + + f"number {exp_num_rho}.", + ) + rho = [float(i) for i in rho] + # double-check the if it's invalid rho + if jnp.any(jnp.abs(jnp.array(rho)) >= 1): + raise ValueError( + f"The input of rho ({rho}) is invalid (>=1 or <=-1). Check your input." + ) + + effect_covar = jnp.diag(jnp.array(effect_var)) + ct = 0 + for col in range(n_pop): + for row in range(1, n_pop): + if col < row: + _two_sd = jnp.sqrt(effect_var[row] * effect_var[col]) + effect_covar = effect_covar.at[row, col].set(rho[ct] * _two_sd) + effect_covar = effect_covar.at[col, row].set(rho[ct] * _two_sd) + ct += 1 + + if no_update: + # if we specify no_update and rho, we want to keep rho through iterations and update variance + if param_effect_var is None and param_rho is not None and n_pop != 1: + prior_adjustor = infer._PriorAdjustor( + times=jnp.eye(n_pop), + plus=effect_covar - jnp.diag(jnp.diag(effect_covar)), + ) + + log.logger.info( + "No updates on the prior effect correlation rho while updating prior effect variance." + ) + # if we specify no_update and effect_covar, we want to keep variance through iterations, and update rho + elif param_effect_var is not None and param_rho is None and n_pop != 1: + prior_adjustor = infer._PriorAdjustor( + times=jnp.ones((n_pop, n_pop)) - jnp.eye(n_pop), + plus=effect_covar * jnp.eye(n_pop), + ) + log.logger.info( + "No updates on the prior effect variance while updating prior effect correlation rho." + ) + # if we (do not specify effect_covar and rho) or (specify both effect_covar and rho) + # nothing is updated through iterations + else: + prior_adjustor = infer._PriorAdjustor( + times=jnp.zeros((n_pop, n_pop)), plus=effect_covar + ) + log.logger.info( + "No updates on the prior effect size variance/covariance matrix." + ) + else: + prior_adjustor = infer._PriorAdjustor( + times=jnp.ones((n_pop, n_pop)), plus=jnp.zeros((n_pop, n_pop)) + ) + + # define: + # k is ancestry + # n is sample size + # p is SNP + # l is the number of effects + + priors = infer.Prior( + # p x 1 + pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, + # k x 1 + resid_var=jnp.array(resid_var)[:, jnp.newaxis], + # l x k x k + effect_covar=jnp.array([effect_covar] * L), + ) + + posteriors = infer.Posterior( + # l x p + alpha=jnp.zeros((L, n_snps)), + # l x p x k + post_mean=jnp.zeros((L, n_snps, n_pop)), + # l x p x k x k + post_mean_sq=jnp.zeros((L, n_snps, n_pop, n_pop)), + # l x n x n + weighted_sum_covar=jnp.zeros((L, n_pop, n_pop)), + kl=jnp.zeros((L,)), + ) + + # since we use prior adjustor, this is really no need + # opt_v_func = NoopOptFunc() would work + opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() + + # get XtXs and Xtys + sigma2 = ns / (ns + zs ** 2) + Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs + XtXs = ns[:, :, jnp.newaxis] * lds + + elbo_tracker = jnp.array([-jnp.inf]) + elbo_increase = True + for o_iter in range(max_iter): + prev_priors = priors + prev_posteriors = posteriors + + priors, posteriors, elbo_cur = _update_effects_ss( + Xtys, + XtXs, + ns, + priors, + posteriors, + prior_adjustor, + opt_v_func, + ) + elbo_last = elbo_tracker[o_iter] + elbo_tracker = jnp.append(elbo_tracker, elbo_cur) + elbo_increase = elbo_cur >= elbo_last or jnp.isclose( + elbo_cur, elbo_last, atol=1e-8 + ) + + if not elbo_increase: + log.logger.warning( + f"Optimization concludes after {o_iter + 1} iterations." + + f" ELBO decreases. Final ELBO score: {elbo_cur}. Return last iteration's results." + + " It can be precision issue," + + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." + + " If this issue keeps rising for many genes, contact the developer." + ) + priors = prev_priors + posteriors = prev_posteriors + break + + decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 + + if jnp.abs(elbo_cur - elbo_last) < min_tol: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach minimum tolerance threshold {min_tol}.", + ) + break + + if o_iter + 1 == max_iter: + log.logger.info( + f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." + + f" Reach maximum iteration threshold {max_iter}.", + ) + + return None From 943b0b4cd43380798a014a424081167160b5ad48 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Sat, 21 Sep 2024 00:37:42 -0400 Subject: [PATCH 10/14] fix typos --- sushie/infer_ss.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index da8bf19..93adbe0 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -651,7 +651,7 @@ def make_cs_ss( return cs, full_alphas, pip_all, pip_cs -def infer_ss_test( +def _infer_ss_test( lds: ArrayLike, ns: ArrayLike, zs: ArrayLike, From 6a1f5451f7f2fb004d31d19c5150c18d7902d12d Mon Sep 17 00:00:00 2001 From: Zeyun Date: Wed, 16 Oct 2024 22:06:10 -0400 Subject: [PATCH 11/14] enhance qc codes --- .gitignore | 2 + docs/manual.rst | 7 +- sushie/cli.py | 1031 +++++++++++++++++++++++++++++++++++--------- sushie/infer.py | 270 ++---------- sushie/infer_ss.py | 376 +--------------- sushie/io.py | 86 ++++ 6 files changed, 966 insertions(+), 806 deletions(-) diff --git a/.gitignore b/.gitignore index 03915cf..b65334a 100644 --- a/.gitignore +++ b/.gitignore @@ -4,6 +4,8 @@ # Development-specific __pycache__/ +.vscode/ + *.metadata2.mmm test_result* *.sh diff --git a/docs/manual.rst b/docs/manual.rst index b409f1e..5cb5eac 100644 --- a/docs/manual.rst +++ b/docs/manual.rst @@ -325,7 +325,7 @@ Parameters - ``--L 5`` - Integer number of shared effects pre-specified. Larger number may cause slow inference. * - ``--pi`` - - str + - String - "uniform" - ``--pi ./prior_weights`` - Prior probability for each SNP to be causal (:math:`\pi` in :ref:`Model`). Default is uniform (i.e., ``1/p`` where ``p`` is the number of SNPs in the region. It is the fixed across all ancestries. Alternatively, users can specify the file path that contains the prior weights for each SNP. The weights have to be positive value. The weights will be normalized to sum to 1 before inference. The file has to be a tsv file that contains two columns where the first column is the SNP ID and the second column is the prior weights. Additional columns will be ignored. For SNPs do not have prior weights in the file, it will be assigned the average value of the rest. It can be a compressed file (e.g., tsv.gz). No headers. @@ -379,6 +379,11 @@ Parameters - 0.5 - ``--purity 0.5`` - Specify the purity threshold for credible sets to be output. It has to be a float number between 0 and 1. + * - ``--purity_method`` + - String + - "weighted" + - ``--purity_method max`` + - Specify the method to compute purity across ancestries. Users choose 'weighted', 'max', or 'min'. `weighted` is the sum of the purity of each ancestry weighted by the sample size.", `max` is the maximum purity value across ancestries. `min` is the minimum purity value across ancestries. Default is weighted. * - ``--max-select`` - Integer - 250 diff --git a/sushie/cli.py b/sushie/cli.py index 8735d86..7393eda 100755 --- a/sushie/cli.py +++ b/sushie/cli.py @@ -30,10 +30,10 @@ ] -def _filter_maf(rawData: io.RawData, maf: float) -> Tuple[io.RawData, int]: +def _filter_maf(rawData: io.RawData, maf: float, idx: int) -> io.RawData: bim, _, bed, _, _ = rawData - old_num = bim.shape[0] + old_bim_num = bim.shape[0] # calculate maf snp_maf = jnp.mean(bed, axis=0) / 2 @@ -41,7 +41,7 @@ def _filter_maf(rawData: io.RawData, maf: float) -> Tuple[io.RawData, int]: (sel_idx,) = jnp.where(snp_maf >= maf) - bim = bim.iloc[sel_idx, :] + bim = bim.iloc[sel_idx, :].reset_index(drop=True) bed = bed[:, sel_idx] rawData = rawData._replace( @@ -49,108 +49,159 @@ def _filter_maf(rawData: io.RawData, maf: float) -> Tuple[io.RawData, int]: bed=bed, ) - del_num = old_num - len(sel_idx) + del_num = old_bim_num - len(sel_idx) - return rawData, del_num + if del_num == old_bim_num: + raise ValueError( + f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {maf}." + ) + if del_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of maf threshold at {maf}." + ) -def _keep_file_subjects( - rawData: io.RawData, keep_subject: List[str] -) -> Tuple[io.RawData, int]: - _, fam, bed, pheno, covar = rawData + return rawData - # we just need to filter out the subjects in genotype file - # because later pheno and covar will be inner merged with fam file - old_fam_num = fam.shape[0] - bed = bed[fam.iid.isin(keep_subject).values, :] - fam = fam.loc[fam.iid.isin(keep_subject)].reset_index(drop=True) +def _keep_file_subjects( + rawData: io.RawData, keep_subject: List[str], idx: int +) -> io.RawData: + _, _, _, pheno, _ = rawData - del_fam_num = old_fam_num - fam.shape[0] + # we just need to filter out the subjects in phenotype file + # because later pheno and covar will be inner merged with fam file + old_pheno_num = pheno.shape[0] + pheno = pheno[pheno.iid.isin(keep_subject)].reset_index(drop=True) + new_pheno_num = pheno.shape[0] + del_num = old_pheno_num - new_pheno_num + if del_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}:Drop {del_num} out of {old_pheno_num} subjects because of the keep subject file." + ) + if new_pheno_num == 0: + raise ValueError( + f"Ancestry {idx + 1}: All subjects are removed because of the keep subject file. Check the source." + ) rawData = rawData._replace( - fam=fam, - bed=bed, + pheno=pheno, ) - return rawData, del_fam_num + return rawData -def _drop_na_subjects(rawData: io.RawData) -> Tuple[io.RawData, int, int]: +def _drop_na_subjects(rawData: io.RawData, idx: int) -> io.RawData: _, _, _, pheno, covar = rawData - val = jnp.array(pheno["pheno"]) - del_idx = jnp.logical_or(jnp.isnan(val), jnp.isinf(val)) + old_pheno_num = pheno.shape[0] + pheno = pheno.dropna().reset_index(drop=True) + new_pheno_num = pheno.shape[0] + del_pheno_num = old_pheno_num - new_pheno_num - # drop_idx is the positional index, but drop use the index label, so we need to convert it - (drop_idx_name,) = jnp.where(del_idx) - pheno_drop_idx = pheno.index[drop_idx_name] - pheno = pheno.drop(pheno_drop_idx).reset_index(drop=True) + if del_pheno_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_pheno_num} out of {old_pheno_num} subjects" + + " because of INF or NAN value in phenotype data." + ) - len_drop_idx_name = jnp.nan - if covar is not None: - val = jnp.array(covar.drop(columns="iid")) - covar_del = jnp.logical_or( - jnp.any(jnp.isinf(val), axis=1), jnp.any(jnp.isnan(val), axis=1) + if new_pheno_num == 0: + raise ValueError( + f"Ancestry {idx + 1}: All subjects have INF or NAN value in phenotype data." + + " Check the source." ) - (drop_idx_name,) = jnp.where(covar_del) - covar_drop_idx = covar.index[drop_idx_name] - covar = covar.drop(covar_drop_idx).reset_index(drop=True) - len_drop_idx_name = len(drop_idx_name) + + if covar is not None: + old_covar_num = covar.shape[0] + covar = covar.dropna().reset_index(drop=True) + new_covar_num = covar.shape[0] + del_covar_num = old_covar_num - new_covar_num + + if del_covar_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_covar_num} out of {old_covar_num} subjects" + + " because of INF or NAN value in covariates data." + ) + + if new_covar_num == 0: + raise ValueError( + f"Ancestry {idx + 1}: All subjects have INF or NAN value in covariates data." + + " Check the source." + ) rawData = rawData._replace( pheno=pheno, covar=covar, ) - return rawData, len(drop_idx_name), len_drop_idx_name + return rawData -def _remove_dup_geno(rawData: io.RawData) -> Tuple[io.RawData, int]: +def _remove_dup_geno(rawData: io.RawData, idx: int) -> io.RawData: bim, _, bed, _, _ = rawData - + old_bim_num = bim.shape[0] (dup_idx,) = jnp.where(bim.snp.duplicated().values) - # dup_idx is the positional index, but drop use the index label, so we need to convert it - dup_idx_name = bim.index[dup_idx] - - bim = bim.drop(dup_idx_name).reset_index(drop=True) + bim = bim.drop(dup_idx).reset_index(drop=True) bed = jnp.delete(bed, dup_idx, 1) + del_num = len(dup_idx) + + if del_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of duplicates in the rsID" + + " in genotype data." + ) rawData = rawData._replace( bim=bim, bed=bed, ) - return rawData, len(dup_idx) + return rawData -def _impute_geno(rawData: io.RawData) -> Tuple[io.RawData, int, int]: +def _impute_geno(rawData: io.RawData, idx: int) -> io.RawData: bim, _, bed, _, _ = rawData - + old_bim_num = bim.shape[0] # if we observe SNPs have nan value for all participants (although not likely), drop them (del_idx,) = jnp.where(jnp.all(jnp.isnan(bed), axis=0)) + # this is the first time we modify the bim and bed file + # it's okay just to directly drop them + bim = bim.drop(del_idx).reset_index(drop=True) + bed = jnp.delete(bed, del_idx, 1) - # del_idx is the positional index, but drop use the index label, so we need to convert it - del_idx_name = bim.index[del_idx] + if len(del_idx) == bim.shape[0]: + raise ValueError( + f"Ancestry {idx + 1}: All SNPs have INF or NAN value in genotype data. Check the source." + ) - bim = bim.drop(del_idx_name).reset_index(drop=True) - bed = jnp.delete(bed, del_idx, 1) + if len(del_idx) != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {len(del_idx)} out of {old_bim_num} SNPs because all subjects have NAN value" + + " in genotype data." + ) # if we observe SNPs that partially have nan value, impute them with column mean col_mean = jnp.nanmean(bed, axis=0) + # it gives the dimension index of the nan value imp_idx = jnp.where(jnp.isnan(bed)) + old_bim_num = bim.shape[0] # column is the SNP index if len(imp_idx[1]) != 0: + # based on the column index of imp_idx, we used jnp.take to get the (multiple) value bed = bed.at[imp_idx].set(jnp.take(col_mean, imp_idx[1])) + log.logger.debug( + f"Ancestry {idx + 1}: Impute {len(imp_idx[1])} out of {old_bim_num} SNPs with NAN value based on allele" + + " frequency." + ) rawData = rawData._replace( bim=bim, bed=bed, ) - return rawData, len(del_idx), len(jnp.unique(imp_idx[1])) + return rawData def _reset_idx(rawData: io.RawData, idx: int) -> io.RawData: @@ -199,14 +250,27 @@ def _reset_idx(rawData: io.RawData, idx: int) -> io.RawData: def _filter_common_ind(rawData: io.RawData, idx: int) -> io.RawData: _, fam, _, pheno, covar = rawData - common_fam = pd.merge( - fam, pheno[[f"phenoIDX_{idx + 1}", "iid"]], how="inner", on=["iid"] + common_fam = fam.merge( + pheno[[f"phenoIDX_{idx + 1}", "iid"]], how="inner", on=["iid"] ) + if covar is not None: # match fam id and covar id - common_fam = pd.merge( - common_fam, covar[[f"covarIDX_{idx + 1}", "iid"]], how="inner", on=["iid"] + common_fam = common_fam.merge( + covar[[f"covarIDX_{idx + 1}", "iid"]], how="inner", on=["iid"] ) + + if common_fam.shape[0] == 0: + raise ValueError( + f"Ancestry {idx + 1}: No common individuals across phenotype, covariates," + + " genotype found. Check the source.", + ) + else: + log.logger.debug( + f"Ancestry {idx + 1}: Found {common_fam.shape[0]} common individuals" + + " across phenotype, covariates, and genotype.", + ) + rawData = rawData._replace(fam=common_fam) return rawData @@ -331,9 +395,10 @@ def _run_cv(args, cv_data, pi) -> List[List[jnp.ndarray]]: def parameter_check( - args, + args: argparse.Namespace, ) -> Tuple[int, pd.DataFrame, List[str], pd.DataFrame, List[str], Callable]: - """The function to process raw phenotype, genotype, covariates data across ancestries. + """The function to process raw phenotype, genotype, covariates data across ancestries + for individual-level data fine-mapping. Args: args: The command line parameter input. @@ -349,6 +414,11 @@ def parameter_check( #. genotype read-in function (:py:obj:`Callable`). """ + if args.pheno is None: + raise ValueError( + "No phenotype file specified. Specify --summary if summary-level fine-mapping is wanted." + ) + if args.ancestry_index is not None: ancestry_index = pd.read_csv(args.ancestry_index[0], header=None, sep="\t") old_pt = ancestry_index.shape[0] @@ -400,7 +470,7 @@ def parameter_check( if n_geno > 1: log.logger.info( - f"Detect {n_geno} genotypes, will only use one genotypes in the order of 'plink, vcf, and bgen'" + f"Detect {n_geno} genotypes, will only use one type of genotypes in the order of 'plink, vcf, and bgen'" ) # decide genotype data @@ -539,6 +609,156 @@ def parameter_check( return n_pop, ancestry_index, keep_subject, pi, geno_path, geno_func +def parameter_check_ss( + args: argparse.Namespace, +) -> Tuple[int, pd.DataFrame, List[str], Callable, bool]: + """The function to process raw phenotype, genotype, covariates data across ancestries + for summary-level fine-mapping. + + Args: + args: The command line parameter input. + + Returns: + :py:obj:`Tuple[int, pd.DataFrame, List[str], Callable]`: + A tuple of + #. an integer to indicate how many ancestries, + #. a DataFrame that contains prior probability for each SNP to be causal. + #. a list of genotype data paths (:py:obj:`List[str]`), + #. genotype read-in function (:py:obj:`Callable`). + #. a boolean to indicate whether the genotype data is in LD format. + + """ + if args.gwas is None: + raise ValueError("No GWAS summary statistics file specified. Check the source.") + else: + n_pop = len(args.gwas) + + name_ancestry = "ancestry" if n_pop == 1 else "ancestries" + + log.logger.info(f"Detect GWAS files for {args.trait} from {n_pop} {name_ancestry}.") + + n_geno = ( + int(args.plink is not None) + + int(args.vcf is not None) + + int(args.bgen is not None) + + int(args.ld is not None) + ) + + if n_geno > 1: + log.logger.info( + f"Detect {n_geno} genotype or LD files," + + " will only use one type of file in the order of 'plink, vcf, bgen, and ld'", + ) + + # decide genotype data + if_ld = False + if args.plink is not None: + if len(args.plink) != n_pop: + raise ValueError( + "The numbers of ancestries in plink geno and GWAS data does not match. Check the source." + ) + + log.logger.info("Detect genotype data in plink format.") + geno_path = args.plink + geno_func = io.read_triplet + elif args.vcf is not None: + if len(args.vcf) != n_pop: + raise ValueError( + "The numbers of ancestries in vcf geno and GWAS data does not match. Check the source." + ) + log.logger.info("Detect genotype data in vcf format.") + geno_path = args.vcf + geno_func = io.read_vcf + elif args.bgen is not None: + if len(args.bgen) != n_pop: + raise ValueError( + "The numbers of ancestries in bgen geno and GWAS data does not match. Check the source." + ) + + log.logger.info("Detect genotype data in bgen format.") + geno_path = args.bgen + geno_func = io.read_bgen + elif args.ld is not None: + if len(args.ld) != n_pop: + raise ValueError( + "The numbers of ancestries in ld geno and pheno data does not match. Check the source." + ) + + log.logger.info("Detect LD data in tsv files.") + geno_path = args.ld + geno_func = io.read_ld + if_ld = True + else: + raise ValueError( + "No genotype/LD data specified in either plink, vcf, bgen, or LD files. Check the source." + ) + + if args.sample_size is not None: + if len(args.sample_size) != n_pop: + raise ValueError( + "The numbers of ancestries in sample size and GWAS data does not match. Check the source." + ) + log.logger.info("Detect sample size.") + else: + raise ValueError( + "No sample size specified for summary-level fine-mapping. Check the source." + ) + + if args.pi != "uniform": + log.logger.info( + "Detect file that contains prior weights for each SNP to be causal." + ) + pi = pd.read_csv(args.pi, header=None, sep="\t") + if pi.shape[0] == 0: + raise ValueError( + "No prior weights are listed in the prior file. Check the source." + ) + + if pi.shape[1] < 2: + raise ValueError( + "The prior file has less than 2 columns. It has to be at least two columns." + + " The first column is the SNP ID, and the second column the prior probability." + ) + + if pi.shape[1] > 2: + log.logger.debug( + "The prior file has more than 2 columns. Will only use the first two columns." + ) + + pi = pi.iloc[:, 0:2] + pi.columns = ["snp", "pi"] + else: + pi = pd.DataFrame() + + if args.seed <= 0: + raise ValueError( + "The seed specified for randomization is invalid. Choose a positive integer." + ) + + if args.maf <= 0 or args.maf > 0.5: + raise ValueError( + "The minor allele frequency (MAF) has to be between 0 (exclusive) and 0.5 (inclusive)." + + " Choose a valid float." + ) + + if args.meta and n_pop == 1: + log.logger.info( + "The number of ancestry is 1, but --meta is specified. Will skip meta or mega SuSiE." + ) + + if args.start <= 0: + raise ValueError( + "The start position for the region is invalid. Choose a positive integer." + ) + + if args.end <= args.start: + raise ValueError( + "The end position for the region is invalid. Choose a positive integer greater than the start position." + ) + + return n_pop, pi, geno_path, geno_func, if_ld + + def process_raw( rawData: List[io.RawData], keep_subject: List[str], @@ -586,106 +806,21 @@ def process_raw( n_pop = len(rawData) for idx in range(n_pop): - - # remove subjects that are not in the keep file + # keep subjects that are listed in the keep subject file if len(keep_subject) != 0: - old_fam_num = rawData[idx].fam.shape[0] - - ( - rawData[idx], - del_fam_num, - ) = _keep_file_subjects(rawData[idx], keep_subject) - - if len(rawData[idx].fam) == 0: - raise ValueError( - f"Ancestry {idx + 1}: No subjects in the genotype data are listed in the keep file." - + " Check the source." - ) - - if len(rawData[idx].pheno) == 0: - raise ValueError( - f"Ancestry {idx + 1}: No subjects in the pheno data are listed in the keep file." - + " Check the source." - ) - - if del_fam_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_fam_num} out of {old_fam_num} subjects in the genotype data" - + " because these subjects are not listed in the subject keep file." - ) + rawData[idx] = _keep_file_subjects(rawData[idx], keep_subject, idx) # remove NA/inf value for subjects across phenotype or covariates data - old_subject_num = rawData[idx].fam.shape[0] - rawData[idx], del_num_pheno, del_num_covar = _drop_na_subjects(rawData[idx]) - - if del_num_pheno != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num_pheno} out of {old_subject_num} subjects" - + " because of INF or NAN value in phenotype data." - ) + rawData[idx] = _drop_na_subjects(rawData[idx], idx) - if del_num_covar != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num_covar} out of {old_subject_num} subjects" - + " because of INF or NAN value in covariates data." - ) - - if del_num_pheno == old_subject_num: - raise ValueError( - f"Ancestry {idx + 1}: All subjects have INF or NAN value in phenotype data." - + " Check the source." - ) - - if del_num_covar == old_subject_num: - raise ValueError( - f"Ancestry {idx + 1}: All subjects have INF or NAN value in covariates data." - + " Check the source." - ) - - old_snp_num = rawData[idx].bim.shape[0] # impute genotype data even though we suggest users to impute the genotypes beforehand - rawData[idx], del_num, imp_num = _impute_geno(rawData[idx]) - - if del_num == old_snp_num: - raise ValueError( - f"Ancestry {idx + 1}: All SNPs have INF or NAN value in genotype data. Check the source." - ) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because all subjects have NAN value" - + " in genotype data." - ) + rawData[idx] = _impute_geno(rawData[idx], idx) - if imp_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Impute {imp_num} out of {old_snp_num} SNPs with NAN value based on allele" - + " frequency." - ) - - old_snp_num = rawData[idx].bim.shape[0] # remove SNPs that cannot pass MAF threshold - rawData[idx], del_num = _filter_maf(rawData[idx], maf) - - if del_num == old_snp_num: - raise ValueError( - f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {maf}." - ) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because of maf threshold at {maf}." - ) + rawData[idx] = _filter_maf(rawData[idx], maf, idx) - old_snp_num = rawData[idx].bim.shape[0] # remove duplicates SNPs based on rsid even though we suggest users to do some QC on this - rawData[idx], del_num = _remove_dup_geno(rawData[idx]) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because of duplicates in the rs ID" - + " in genotype data." - ) + rawData[idx] = _remove_dup_geno(rawData[idx], idx) # reset index and add index column to all dataset for future inter-ancestry or inter-dataset processing rawData[idx] = _reset_idx(rawData[idx], idx) @@ -693,26 +828,18 @@ def process_raw( # find common individuals across geno, pheno, and covar within an ancestry rawData[idx] = _filter_common_ind(rawData[idx], idx) - if rawData[idx].fam.shape[0] == 0: - raise ValueError( - f"Ancestry {idx + 1}: No common individuals across phenotype, covariates," - + " genotype found. Check the source.", - ) - else: - log.logger.debug( - f"Ancestry {idx + 1}: Found {rawData[idx].fam.shape[0]} common individuals" - + " across phenotype, covariates, and genotype.", - ) - # find common snps across ancestries if n_pop > 1: - snps = pd.merge( - rawData[0].bim, rawData[1].bim, how="inner", on=["chrom", "snp"] + snps = ( + rawData[0] + .bim.merge(rawData[1].bim, how="inner", on=["chrom", "snp"]) + .reset_index(drop=True) ) + for idx in range(n_pop - 2): - snps = pd.merge( - snps, rawData[idx + 2].bim, how="inner", on=["chrom", "snp"] - ) + snps = snps.merge( + rawData[idx + 2].bim, how="inner", on=["chrom", "snp"] + ).reset_index(drop=True) if snps.shape[0] == 0: raise ValueError("Ancestries have no common SNPs. Check the source.") # report how many snps we removed due to independent SNPs @@ -725,7 +852,8 @@ def process_raw( else: snps = rawData[0].bim - # remove non-biallelic SNPs across ancestries + # remove biallelic SNPs dont match across ancestries + # e.g., A/T for EUR but A/C for AFR if n_pop > 1: for idx in range(1, n_pop): _, _, remove_idx = _allele_check( @@ -736,7 +864,7 @@ def process_raw( ) if len(remove_idx) != 0: - snps = snps.drop(index=remove_idx).reset_index(drop=True) + snps = snps.drop(remove_idx).reset_index(drop=True) log.logger.debug( f"Ancestry{idx + 1} has {len(remove_idx)} alleles that" + "couldn't match to ancestry 1 and couldn't be flipped. Will remove these SNPs." @@ -752,7 +880,7 @@ def process_raw( # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data if not keep_ambiguous: ambiguous_snps = ["AT", "TA", "CG", "GC"] - if_ambig = (snps.a0_1.values + snps.a1_1.values).isin(ambiguous_snps) + if_ambig = (snps.a0_1 + snps.a1_1).isin(ambiguous_snps) del_num = if_ambig.sum() snps = snps[~if_ambig].reset_index(drop=True) @@ -768,7 +896,7 @@ def process_raw( flip_idx = [] if n_pop > 1: for idx in range(1, n_pop): - correct_idx, tmp_flip_idx, _ = _allele_check( + _, tmp_flip_idx, _ = _allele_check( snps["a0_1"].values, snps["a1_1"].values, snps[f"a0_{idx + 1}"].values, @@ -901,6 +1029,343 @@ def process_raw( return snps, regular_data, mega_data, cv_data +# def process_raw_ss( +# geno_path: List[str], +# geno_func: Callable, +# if_ld: bool, +# pi: pd.DataFrame, +# args: argparse.Namespace, +# ) -> Tuple[pd.DataFrame, io.ssData,]: +# """The function to process raw phenotype, genotype, covariates data across ancestries. + +# Args: +# geno_paths: The path for genotype data across ancestries. +# geno_func: The function to read in genotypes depending on the format. +# if_ld: The indicator whether LD matrix in provided. +# pi: The DataFrame that contains prior weights for each SNP to be causal. +# args: The command line parameter input. + +# Returns: +# :py:obj:`Tuple[pd.DataFrame, io.ssData, Optional[io.CleanData]]`: +# A tuple of +# #. SNP information (:py:obj:`pd.DataFrame`), +# #. dataset for running summary-level SuShiE (:py:obj:`io.ssData`), + +# """ + +# n_pop = len(geno_path) + +# ld_geno_list = [] +# gwas_list = [] +# for idx in range(n_pop): +# # read in GWAS data +# df_gwas = io.read_gwas( +# args.gwas[idx], args.gwas_header, args.chrom, args.start, args.end +# ) + +# # read in genotype data or LD data +# if if_ld: +# df_ld = geno_func(geno_path[idx]) +# if df_ld.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1}: No SNPs in the LD data. Check the source." +# ) +# overlap_snps = df_gwas["snp"][df_gwas["snp"].isin(df_ld.colnames)] +# if overlap_snps.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1}: No common SNPs between GWAS and LD data. Check the source." +# ) +# df_gwas = df_gwas[df_gwas["snp"].isin(overlap_snps)] +# df_gwas = df_gwas.set_index("snp").loc[overlap_snps].reset_index(drop=True) +# import pdb + +# pdb.set_trace() +# sel_index = jnp.where(df_ld.colnames == overlap_snps)[1] +# df_ld = df_ld.iloc[sel_index, sel_index] +# ld_geno_list.append(df_ld) + +# else: +# bim, fam, bed = geno_func(geno_path[idx]) + +# if bed.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1}: No SNPs in the genotype data. Check the source." +# ) + +# tmp_rawdata = io.RawData( +# bim=bim, fam=fam, bed=bed, pheno=pd.DataFrame([]), covar=None +# ) + +# old_snp_num = bim.shape[0] +# # impute genotype data even though we suggest users to impute the genotypes beforehand +# tmp_rawdata, del_num, imp_num = _impute_geno(tmp_rawdata) + +# if del_num == old_snp_num: +# raise ValueError( +# f"Ancestry {idx + 1}: All SNPs have INF or NAN value in genotype data. Check the source." +# ) + +# if del_num != 0: +# log.logger.debug( +# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because all subjects have NAN value" +# + " in genotype data." +# ) + +# if imp_num != 0: +# log.logger.debug( +# f"Ancestry {idx + 1}: Impute {imp_num} out of {old_snp_num} SNPs with NAN value based on allele" +# + " frequency." +# ) + +# old_snp_num = tmp_rawdata.bim.shape[0] +# # remove SNPs that cannot pass MAF threshold +# tmp_rawdata, del_num = _filter_maf(tmp_rawdata, args.maf) + +# if del_num == old_snp_num: +# raise ValueError( +# f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {args.maf}." +# ) + +# if del_num != 0: +# log.logger.debug( +# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs" +# + f" because of maf threshold at {args.maf}." +# ) + +# old_snp_num = tmp_rawdata.bim.shape[0] +# # remove duplicates SNPs based on rsid even though we suggest users to do some QC on this +# tmp_rawdata, del_num = _remove_dup_geno(tmp_rawdata) + +# if del_num != 0: +# log.logger.debug( +# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because of duplicates in the rs ID" +# + " in genotype data." +# ) + +# # find overlap between GWAS snps and genotype snps +# tmp_bim = ( +# tmp_rawdata.bim.reset_index(drop=True) +# .reset_index() +# .rename( +# columns={ +# "index": f"bimIDX_{idx + 1}", +# "pos": f"pos_{idx + 1}", +# "a0": f"a0_{idx + 1}", +# "a1": f"a1_{idx + 1}", +# } +# ) +# ) +# overlap_snps = df_gwas["snp"][df_gwas["snp"].isin(tmp_bim["snp"])] +# if overlap_snps.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1}: No common SNPs between GWAS and genotype data. Check the source." +# ) +# df_gwas = df_gwas[df_gwas["snp"].isin(overlap_snps)] +# df_gwas = df_gwas.set_index("snp").loc[overlap_snps].reset_index(drop=True) +# tmp_bim = tmp_bim.merge(df_gwas, how="inner", on="snp") +# if tmp_bim.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1}: No common SNPs between GWAS and genotype data. Check the source." +# ) + +# tmp_rawdata = tmp_rawdata._replace(bim=tmp_bim) +# ld_geno_list +# gwas_list.append(df_gwas) + +# # find common snps across ancestries +# if n_pop > 1: +# snps = pd.merge(gwas_list[0], gwas_list[1], how="inner", on=["chrom", "snp"]) +# for idx in range(n_pop - 2): +# snps = pd.merge(snps, gwas_list[idx + 2], how="inner", on=["chrom", "snp"]) + +# if snps.shape[0] == 0: +# raise ValueError("Ancestries have no common SNPs. Check the source.") +# # report how many snps we removed due to independent SNPs +# for idx in range(n_pop): +# snps_num_diff = rawData[idx].bim.shape[0] - snps.shape[0] +# log.logger.debug( +# f"Ancestry{idx + 1} has {snps_num_diff} independent SNPs and {snps.shape[0]}" +# + " common SNPs. Inference only performs on common SNPs.", +# ) +# else: +# snps = gwas_list[0] + +# # remove non-biallelic SNPs across ancestries +# if n_pop > 1: +# for idx in range(1, n_pop): +# _, _, remove_idx = _allele_check( +# snps["a0_1"].values, +# snps["a1_1"].values, +# snps[f"a0_{idx + 1}"].values, +# snps[f"a1_{idx + 1}"].values, +# ) + +# if len(remove_idx) != 0: +# snps = snps.drop(index=remove_idx).reset_index(drop=True) +# log.logger.debug( +# f"Ancestry{idx + 1} has {len(remove_idx)} alleles that" +# + "couldn't match to ancestry 1 and couldn't be flipped. Will remove these SNPs." +# ) + +# if snps.shape[0] == 0: +# raise ValueError( +# f"Ancestry {idx + 1} has none of correct or flippable SNPs from ancestry 1. Check the source.", +# ) + +# snps = snps.reset_index(drop=True) + +# # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data +# if not keep_ambiguous: +# ambiguous_snps = ["AT", "TA", "CG", "GC"] +# if_ambig = (snps.a0_1.values + snps.a1_1.values).isin(ambiguous_snps) +# del_num = if_ambig.sum() +# snps = snps[~if_ambig].reset_index(drop=True) + +# if snps.shape[0] == 0: +# raise ValueError( +# "All SNPs are ambiguous in genotype data. Check the source." +# ) + +# if del_num != 0: +# log.logger.debug(f"Drop {del_num} ambiguous SNPs in genotype data.") + +# # find flipped reference alleles across ancestries +# flip_idx = [] +# if n_pop > 1: +# for idx in range(1, n_pop): +# correct_idx, tmp_flip_idx, _ = _allele_check( +# snps["a0_1"].values, +# snps["a1_1"].values, +# snps[f"a0_{idx + 1}"].values, +# snps[f"a1_{idx + 1}"].values, +# ) + +# if len(tmp_flip_idx) != 0: +# log.logger.debug( +# f"Ancestry{idx + 1} has {len(tmp_flip_idx)} flipped alleles from ancestry 1. Will flip these SNPs." +# ) + +# # save the index for future swapping +# flip_idx.append(tmp_flip_idx) + +# # drop unused columns +# snps = snps.drop( +# columns=[f"a0_{idx + 1}", f"a1_{idx + 1}", f"pos_{idx + 1}"] +# ) + +# # rename columns for better indexing in the future +# snps = snps.reset_index().rename( +# columns={"index": "SNPIndex", "a0_1": "a0", "a1_1": "a1", "pos_1": "pos"} +# ) + +# if pi.shape[0] != 0: +# # append prior weights to the snps +# snps = pd.merge(snps, pi, how="left", on="snp") +# nan_count = snps["pi"].isna().sum() +# if nan_count > 0: +# log.logger.warning( +# f"{nan_count} SNP(s) have missing prior weights. Will replace them with the mean value of the rest." +# ) +# # if the column pi has nan value, replace it with the mean value of the rest of the column +# snps["pi"] = snps["pi"].fillna(snps["pi"].mean()) +# pi = jnp.array(snps["pi"].values) +# else: +# snps["pi"] = jnp.ones(snps.shape[0]) / float(snps.shape[0]) +# pi = None + +# geno = [] +# pheno = [] +# covar = [] +# total_ind = 0 +# # filter on geno, pheno, and covar +# for idx in range(n_pop): +# _, tmp_fam, tmp_geno, tmp_pheno, tmp_covar = rawData[idx] + +# # get common individual and snp id +# common_ind_id = tmp_fam[f"famIDX_{idx + 1}"].values +# common_snp_id = snps[f"bimIDX_{idx + 1}"].values +# snps = snps.drop(columns=[f"bimIDX_{idx + 1}"]) + +# # filter on individuals who have both geno, pheno, and covar (if applicable) +# # filter on shared snps across ancestries +# tmp_geno = tmp_geno[common_ind_id, :][:, common_snp_id] + +# # flip genotypes for bed files starting second ancestry +# # flip index is the positional index based on snps data frame, so we have to subset genotype +# # data based on the common snps (i.e., snps data frame). +# if idx > 0 and len(flip_idx[idx - 1]) != 0: +# tmp_geno[:, flip_idx[idx - 1]] = 2 - tmp_geno[:, flip_idx[idx - 1]] + +# # swap pheno and covar rows order to match fam/bed file, and then select the +# # values for future fine-mapping +# common_pheno_id = tmp_fam[f"phenoIDX_{idx + 1}"].values +# tmp_pheno = tmp_pheno["pheno"].values[common_pheno_id] +# total_ind += tmp_pheno.shape[0] +# geno.append(tmp_geno) + +# if rint: +# tmp_pheno = utils.rint(tmp_pheno) + +# pheno.append(tmp_pheno) + +# if tmp_covar is not None: +# # select the common individual for covar +# common_covar_id = tmp_fam[f"covarIDX_{idx + 1}"].values +# n_covar = tmp_covar.shape[1] +# tmp_covar = tmp_covar.iloc[common_covar_id, 2:n_covar].values +# covar.append(tmp_covar) + +# if len(covar) == 0: +# data_covar = None +# else: +# data_covar = covar + +# regular_data = io.CleanData(geno=geno, pheno=pheno, covar=data_covar, pi=pi) + +# name_ancestry = "ancestry" if n_pop == 1 else "ancestries" + +# log.logger.info( +# f"Prepare {geno[0].shape[1]} SNPs for {total_ind} individuals from {n_pop} {name_ancestry} after" +# + " data cleaning. Specify --verbose for details.", +# ) + +# mega_data = None +# cv_data = None +# # when doing mega or cross validation, we need to regress out covariates first +# if mega or cv: +# cv_geno = copy.deepcopy(geno) +# cv_pheno = copy.deepcopy(pheno) +# if data_covar is not None: +# for idx in range(n_pop): +# cv_geno[idx], cv_pheno[idx] = utils.regress_covar( +# geno[idx], pheno[idx], data_covar[idx], no_regress +# ) + +# if cv: +# cv_data = _prepare_cv(cv_geno, cv_pheno, cv_num, seed) + +# # prepare mega dataset +# # it's possible that different ancestries have different number of covariates, +# # so we need to regress out first +# if mega: +# mega_geno = cv_geno[0] +# mega_pheno = cv_pheno[0] +# for idx in range(1, n_pop): +# mega_geno = jnp.append(mega_geno, cv_geno[idx], axis=0) +# mega_pheno = jnp.append(mega_pheno, cv_pheno[idx], axis=0) + +# # because it row-binds the phenotype data for each ancestry, we want to rint again +# mega_pheno = utils.rint(mega_pheno) +# mega_data = io.CleanData( +# geno=[mega_geno], +# pheno=[mega_pheno], +# covar=None, +# pi=pi, +# ) + +# return snps, regular_data, mega_data, cv_data + + def sushie_wrapper( data: io.CleanData, cv_data: Optional[List[io.CVData]], @@ -983,6 +1448,7 @@ def sushie_wrapper( min_tol=args.min_tol, threshold=args.threshold, purity=args.purity, + purity_method=args.purity_method, max_select=args.max_select, min_snps=args.min_snps, no_reorder=args.no_reorder, @@ -1019,6 +1485,7 @@ def sushie_wrapper( min_tol=args.min_tol, threshold=args.threshold, purity=args.purity, + purity_method=args.purity_method, max_select=args.max_select, min_snps=args.min_snps, no_reorder=args.no_reorder, @@ -1086,46 +1553,74 @@ def run_finemap(args): config.update("jax_default_matmul_precision", "highest") config.update("jax_platform_name", args.platform) + if args.summary is True: + log.logger.info("Start fine-mapping using SuShiE on summary-level data.") - n_pop, ancestry_index, keep_subject, pi, geno_path, geno_func = parameter_check( - args - ) + # n_pop, pi, geno_path, geno_func, if_ld = parameter_check_ss(args) - rawData = io.read_data( - n_pop, - ancestry_index, - args.pheno, - args.covar, - geno_path, - geno_func, - ) + # # snps, ss_data = process_raw_ss( + # # geno_path, + # # geno_func, + # # if_ld, + # # pi, + # # args, + # # ) - snps, regular_data, mega_data, cv_data = process_raw( - rawData, - keep_subject, - pi, - args.keep_ambiguous, - args.maf, - args.rint, - args.no_regress, - args.mega, - args.cv, - args.cv_num, - args.seed, - ) + # normal_data = copy.deepcopy(ss_data) + # sushie_wrapper(normal_data, args, snps, meta=False) - normal_data = copy.deepcopy(regular_data) - sushie_wrapper(normal_data, cv_data, args, snps, meta=False, mega=False) + # # if only one ancestry, no need to run mega or meta + # if n_pop != 1: + # if args.meta: + # meta_data = copy.deepcopy(ss_data) + # sushie_wrapper(meta_data, None, args, snps, meta=True) - # if only one ancestry, need to run mega or meta - n_pop = len(regular_data.geno) - if n_pop != 1: - if args.meta: - meta_data = copy.deepcopy(regular_data) - sushie_wrapper(meta_data, None, args, snps, meta=True, mega=False) + else: + log.logger.info("Start fine-mapping using SuShiE on individual-level data.") - if args.mega: - sushie_wrapper(mega_data, None, args, snps, meta=False, mega=True) + ( + n_pop, + ancestry_index, + keep_subject, + pi, + geno_path, + geno_func, + ) = parameter_check(args) + + rawData = io.read_data( + n_pop, + ancestry_index, + args.pheno, + args.covar, + geno_path, + geno_func, + ) + + snps, regular_data, mega_data, cv_data = process_raw( + rawData, + keep_subject, + pi, + args.keep_ambiguous, + args.maf, + args.rint, + args.no_regress, + args.mega, + args.cv, + args.cv_num, + args.seed, + ) + + normal_data = copy.deepcopy(regular_data) + sushie_wrapper(normal_data, cv_data, args, snps, meta=False, mega=False) + + # if only one ancestry, no need to run mega or meta + if n_pop != 1: + if args.meta: + meta_data = copy.deepcopy(regular_data) + sushie_wrapper(meta_data, None, args, snps, meta=True, mega=False) + + if args.mega: + sushie_wrapper(mega_data, None, args, snps, meta=False, mega=True) except Exception as err: import traceback @@ -1156,18 +1651,47 @@ def build_finemap_parser(subp): " individual genotype and phenotype data using SuShiE.", ), ) + + finemap.add_argument( + "--summary", + type=bool, + default=False, + help=( + "Indicator whether to run fine-mapping on summary statistics.", + " Default is False.", + " If True, the software will need GWAS files as input data by specifying --gwas", + " and need LD matrix by specifying either --ld or one of the --plink, --vcf, or --bgen.", + " If False, the software will need phenotype data by specifying --pheno", + " and genotype data by specifying either --plink, --vcf, or --bgen.", + ), + ) + finemap.add_argument( "--pheno", nargs="+", type=str, - required=True, help=( "Phenotype data. It has to be a tsv file that contains at least two", " columns where the first column is subject ID and", " the second column is the continuous phenotypic value. It can be a compressed file (e.g., tsv.gz).", " It is okay to have additional columns, but only the first two columns will be used." " No headers. Use 'space' to separate ancestries if more than two.", - " SuShiE currently only fine-maps on continuous data.", + " For individual-level data fine-mapping, SuShiE currently only fine-maps on continuous data.", + ), + ) + + finemap.add_argument( + "--gwas", + nargs="+", + type=str, + help=( + "GWAS data. It has to be a tsv file that contains at least six columns.", + " The six columns are chromsome number, SNP ID, base-pair position, counting allele,", + " non-counting allele, and the z-score. Users can can specify column names using --gwas-header.", + " By default, the software assumes the header names are 'chrom', 'snp', 'pos', 'a1', 'a0', 'z'.", + " It can be a compressed file (e.g., tsv.gz).", + " It is okay to have additional columns, but only the mentioned columns will be used." + " Use 'space' to separate ancestries if more than two.", ), ) @@ -1184,6 +1708,8 @@ def build_finemap_parser(subp): " Keep the same ancestry order as phenotype's.", " SuShiE currently does not take plink 2 format.", " Data has to only contain bialleic variant.", + " If used in summary-level fine-mapping, the SNP ID has to match the GWAS data in --gwas.", + " The software will flip the alleles if the counting allele in GWAS data is different from the plink data.", ), ) @@ -1197,6 +1723,8 @@ def build_finemap_parser(subp): " Keep the same ancestry order as phenotype's. The software will count RFE allele.", " If gt_types is UNKNOWN, it will be coded as NA, and be imputed by allele frequency.", " Data has to only contain bialleic variant.", + " If used in summary-level fine-mapping, the SNP ID has to match the GWAS data in --gwas.", + " The software will flip the alleles if the counting allele in GWAS data is different from the plink data.", ), ) @@ -1209,6 +1737,8 @@ def build_finemap_parser(subp): "Genotype data in bgen 1.3 format. Use 'space' to separate ancestries if more than two.", " Keep the same ancestry order as phenotype's.", " Data has to only contain bialleic variant.", + " If used in summary-level fine-mapping, the SNP ID has to match the GWAS data in --gwas.", + " The software will flip the alleles if the counting allele in GWAS data is different from the plink data.", ), ) @@ -1260,6 +1790,75 @@ def build_finemap_parser(subp): ), ) + finemap.add_argument( + "--gwas-header", + nargs="+", + default=["chrom", "snp", "pos", "a1", "a0", "z"], + type=str, + help=( + "GWAS file header names. Default is ['chrom', 'snp', 'pos', 'a1', 'a0', 'z'].", + " Users can specify the header names for the GWAS data in this order.", + ), + ) + + finemap.add_argument( + "--ld", + nargs="+", + default=None, + type=str, + help=( + "LD files that will be used in the fine-mapping. Default is None." + " Keep the same ancestry order as phenotype's.", + " It has to be a tsv or comparessed file (e.g., tsv.gz).", + " The header has to be the SNP name matching the GWAS data in --gwas", + " It can have less or more SNPs than the GWAS data,", + " and the software will find the overlap SNPs.", + " Users must ensure that the LD and GWAS z statistics are computed using the same counting alleles.", + ), + ) + + finemap.add_argument( + "--chrom", + default=None, + type=int, + choices=list(range(1, 23)), + help=( + "Chromsome number to subset GWAS SNPs in the fine-mapping. Default is None." + " Value has to be an integer number between 1 and 22.", + ), + ) + + finemap.add_argument( + "--start", + default=None, + type=int, + help=( + "Base-pair position to subset GWAS SNPs in the fine-mapping. Default is None." + " Value has to be a positive integer number.", + ), + ) + + finemap.add_argument( + "--end", + default=None, + type=int, + help=( + "Base-pair position to subset GWAS SNPs in the fine-mapping. Default is None." + " Value has to be a positive integer number and larger than --start.", + ), + ) + + finemap.add_argument( + "--sample-size", + default=None, + nargs="+", + type=int, + help=( + "GWAS sample size of each ancestry. Default is None." + " Values have to be positive integer. Use 'space' to separate ancestries if more than two.", + ), + ) + finemap.add_argument( "--L", default=10, @@ -1413,6 +2012,31 @@ def build_finemap_parser(subp): ), ) + finemap.add_argument( + "--purity_method", + default="weighted", + type=str, + choices=["weighted", "max", "min"], + help=( + "Specify the method to compute purity across ancestries.", + " Users choose 'weighted', 'max', or 'min'.", + " `weighted` is the sum of the purity of each ancestry weighted by the sample size.", + " `max` is the maximum purity value across ancestries.", + " `min` is the minimum purity value across ancestries.", + " Default is weighted.", + ), + ) + + finemap.add_argument( + "--ld-adjust", + default=0, + type=float, + help=( + "The adjusting number to LD diagonal to ensure the positive definiteness.", + " It has to be positive integer number between 0 and 0.1", + ), + ) + finemap.add_argument( "--max-select", default=250, @@ -1664,6 +2288,7 @@ def _get_command_string(args): "--cv", "--alphas", "--rint", + "--keep-ambiguous", ]: rest_strs.append(f"\t{cmd}{os.linesep}") needs_tab = True diff --git a/sushie/infer.py b/sushie/infer.py index 71ad189..89392b9 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -174,6 +174,7 @@ def infer_sushie( min_tol: float = 1e-4, threshold: float = 0.95, purity: float = 0.5, + purity_method: str = "weighted", max_select: int = 500, min_snps: int = 100, no_reorder: bool = False, @@ -202,6 +203,7 @@ def infer_sushie( threshold: The credible set threshold. Default is :math:`0.95`. purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. Default is :math:`0.5`. + purity_method: The method to compute purity across ancestries. Default is ``weighted``. max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. @@ -513,10 +515,12 @@ def infer_sushie( cs, full_alphas, pip_all, pip_cs = make_cs( posteriors.alpha, - Xs, ns, + Xs, + None, threshold, purity, + purity_method, max_select, seed, ) @@ -773,10 +777,12 @@ def _reorder_l(priors: Prior, posteriors: Posterior) -> Tuple[Prior, Posterior, def make_cs( alpha: ArrayLike, - Xs: ArrayLike, ns: ArrayLike, + Xs: ArrayLike = None, + lds: ArrayLike = None, threshold: float = 0.9, purity: float = 0.5, + purity_method: str = "weighted", max_select: int = 500, seed: int = 12345, ) -> Tuple[pd.DataFrame, pd.DataFrame, Array, Array]: @@ -785,10 +791,12 @@ def make_cs( Args: alpha: :math:`L \\times p` matrix that contains posterior probability for SNP to be causal (i.e., :math:`\\alpha` in :ref:`Model`). - Xs: Genotype data for multiple ancestries. + Xs: Genotype data for multiple ancestries. It cannot be None if lds is None. + lds: LD matrix for multiple ancestries. It cannot be None if Xs is None. ns: Sample size for each ancestry. threshold: The credible set threshold. purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. + purity_method: The method to compute purity across ancestries. max_select: The maximum number of selected SNPs to compute purity. seed: The randomization seed for selecting SNPs in the credible set to compute purity. @@ -801,8 +809,13 @@ def make_cs( are pruned. """ + if Xs is None and lds is None: + raise ValueError( + "Both Xs and lds are None. Please specify at least one of them." + ) + rng_key = random.PRNGKey(seed) - n_l, n_snps = alpha.shape + n_l, _ = alpha.shape t_alpha = pd.DataFrame(alpha.T).reset_index() cs = pd.DataFrame(columns=["CSIndex", "SNPIndex", "alpha", "c_alpha"]) @@ -853,14 +866,26 @@ def make_cs( ) # update the genotype data and LD - ld_Xs = Xs[:, :, snp_idx] - ld = jnp.einsum("ijk,ijm->ikm", ld_Xs, ld_Xs) / ns[:, jnp.newaxis] - - ss_weight = ns / jnp.sum(ns) - - avg_corr = jnp.sum( - jnp.min(jnp.abs(ld), axis=(1, 2))[:, jnp.newaxis] * ss_weight - ) + if Xs is not None: + ld_Xs = Xs[:, :, snp_idx] + ld = jnp.einsum("ijk,ijm->ikm", ld_Xs, ld_Xs) / ns[:, jnp.newaxis] + elif lds is not None: + ld = lds[:, snp_idx, :][:, :, snp_idx] + + if purity_method == "weighted": + ss_weight = ns / jnp.sum(ns) + + avg_corr = jnp.sum( + jnp.min(jnp.abs(ld), axis=(1, 2))[:, jnp.newaxis] * ss_weight + ) + elif purity_method == "max": + avg_corr = jnp.max(jnp.min(jnp.abs(ld), axis=(1, 2))) + elif purity_method == "min": + avg_corr = jnp.min(jnp.min(jnp.abs(ld), axis=(1, 2))) + else: + raise ValueError( + f"Invalid purity method {purity_method}. Choose from 'weighted', 'max', or 'min'." + ) full_alphas[f"purity_l{ldx + 1}"] = avg_corr @@ -901,224 +926,3 @@ def make_cs( ) return cs, full_alphas, pip_all, pip_cs - - -def _infer_test( - Xs: List[ArrayLike], - ys: List[ArrayLike], - L: int = 5, - no_scale: bool = False, - no_update: bool = False, - pi: ArrayLike = None, - resid_var: utils.ListFloatOrNone = None, - effect_var: utils.ListFloatOrNone = None, - rho: utils.ListFloatOrNone = None, - max_iter: int = 500, - min_tol: float = 1e-4, -) -> None: - """The main inference function for testing computation time purpose.""" - if len(Xs) == len(ys): - n_pop = len(Xs) - else: - raise ValueError( - f"The number of geno ({len(Xs)}) and pheno ({len(ys)}) data does not match. Check your input." - ) - - # center data - for idx in range(n_pop): - Xs[idx] -= jnp.mean(Xs[idx], axis=0) - ys[idx] -= jnp.mean(ys[idx]) - # scale data if specified - if not no_scale: - Xs[idx] /= jnp.std(Xs[idx], axis=0) - ys[idx] /= jnp.std(ys[idx]) - - ys[idx] = jnp.squeeze(ys[idx]) - - if resid_var is None: - resid_var = [] - for idx in range(n_pop): - resid_var.append(jnp.var(ys[idx], ddof=1)) - else: - if len(resid_var) != n_pop: - raise ValueError( - f"Number of specified residual prior ({len(resid_var)}) does not match ancestry number ({n_pop})." - ) - resid_var = [float(i) for i in resid_var] - if jnp.any(jnp.array(resid_var) <= 0): - raise ValueError( - f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." - ) - - _, n_snps = Xs[0].shape - - param_effect_var = effect_var - if effect_var is None: - effect_var = [1e-3] * n_pop - else: - if len(effect_var) != n_pop: - raise ValueError( - f"Number of specified effect prior ({len(effect_var)}) does not match ancestry number ({n_pop})." - ) - effect_var = [float(i) for i in effect_var] - if jnp.any(jnp.array(effect_var) <= 0): - raise ValueError( - f"The input of effect size prior ({effect_var})is invalid (<0)." - ) - - exp_num_rho = math.comb(n_pop, 2) - param_rho = rho - if rho is None: - rho = [0.1] * exp_num_rho - else: - if n_pop == 1: - log.logger.info( - "Running single-ancestry SuShiE, but --rho is specified. Will ignore." - ) - - if (len(rho) != exp_num_rho) and n_pop != 1: - raise ValueError( - f"Number of specified rho ({len(rho)}) does not match expected" - + f"number {exp_num_rho}.", - ) - rho = [float(i) for i in rho] - # double-check the if it's invalid rho - if jnp.any(jnp.abs(jnp.array(rho)) >= 1): - raise ValueError( - f"The input of rho ({rho}) is invalid (>=1 or <=-1). Check your input." - ) - - effect_covar = jnp.diag(jnp.array(effect_var)) - ct = 0 - for col in range(n_pop): - for row in range(1, n_pop): - if col < row: - _two_sd = jnp.sqrt(effect_var[row] * effect_var[col]) - effect_covar = effect_covar.at[row, col].set(rho[ct] * _two_sd) - effect_covar = effect_covar.at[col, row].set(rho[ct] * _two_sd) - ct += 1 - - if no_update: - # if we specify no_update and rho, we want to keep rho through iterations and update variance - if param_effect_var is None and param_rho is not None and n_pop != 1: - prior_adjustor = _PriorAdjustor( - times=jnp.eye(n_pop), - plus=effect_covar - jnp.diag(jnp.diag(effect_covar)), - ) - - log.logger.info( - "No updates on the prior effect correlation rho while updating prior effect variance." - ) - # if we specify no_update and effect_covar, we want to keep variance through iterations, and update rho - elif param_effect_var is not None and param_rho is None and n_pop != 1: - prior_adjustor = _PriorAdjustor( - times=jnp.ones((n_pop, n_pop)) - jnp.eye(n_pop), - plus=effect_covar * jnp.eye(n_pop), - ) - log.logger.info( - "No updates on the prior effect variance while updating prior effect correlation rho." - ) - # if we (do not specify effect_covar and rho) or (specify both effect_covar and rho) - # nothing is updated through iterations - else: - prior_adjustor = _PriorAdjustor( - times=jnp.zeros((n_pop, n_pop)), plus=effect_covar - ) - log.logger.info( - "No updates on the prior effect size variance/covariance matrix." - ) - else: - prior_adjustor = _PriorAdjustor( - times=jnp.ones((n_pop, n_pop)), plus=jnp.zeros((n_pop, n_pop)) - ) - - # define: - # k is ancestry - # n is sample size - # p is SNP - # l is the number of effects - - priors = Prior( - # p x 1 - pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, - # k x 1 - resid_var=jnp.array(resid_var)[:, jnp.newaxis], - # l x k x k - effect_covar=jnp.array([effect_covar] * L), - ) - - posteriors = Posterior( - # l x p - alpha=jnp.zeros((L, n_snps)), - # l x p x k - post_mean=jnp.zeros((L, n_snps, n_pop)), - # l x p x k x k - post_mean_sq=jnp.zeros((L, n_snps, n_pop, n_pop)), - # l x n x n - weighted_sum_covar=jnp.zeros((L, n_pop, n_pop)), - kl=jnp.zeros((L,)), - ) - - # since we use prior adjustor, this is really no need - # opt_v_func = NoopOptFunc() would work - opt_v_func = _EMOptFunc() if not no_update else _NoopOptFunc() - - # padding - ns = jnp.array([X.shape[0] for X in Xs])[:, jnp.newaxis] - p_max = jnp.max(ns) - for idx in range(n_pop): - # ((a,b), (c,d)) where a means top, b means bottom, c means left, and d means right - Xs[idx] = jnp.pad( - Xs[idx], ((0, p_max - jnp.squeeze(ns[idx])), (0, 0)), "constant" - ) - ys[idx] = jnp.pad(ys[idx], (0, p_max - jnp.squeeze(ns[idx])), "constant") - # k x n x p - Xs = jnp.array(Xs) - # k x n - ys = jnp.array(ys) - XtXs = jnp.sum(Xs ** 2, axis=1) - - elbo_tracker = jnp.array([-jnp.inf]) - for o_iter in range(max_iter): - priors, posteriors, elbo_cur = _update_effects( - Xs, - ys, - XtXs, - ns, - priors, - posteriors, - prior_adjustor, - opt_v_func, - ) - elbo_last = elbo_tracker[o_iter] - elbo_tracker = jnp.append(elbo_tracker, elbo_cur) - elbo_increase = elbo_cur >= elbo_last or jnp.isclose( - elbo_cur, elbo_last, atol=1e-8 - ) - - if not elbo_increase: - log.logger.warning( - f"Optimization concludes after {o_iter + 1} iterations." - + f" ELBO decreases. Final ELBO score: {elbo_cur}. Return last iteration's results." - + " It can be precision issue," - + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." - + " If this issue keeps rising for many genes, contact the developer." - ) - break - - decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 - - if jnp.abs(elbo_cur - elbo_last) < min_tol: - log.logger.info( - f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." - + f" Reach minimum tolerance threshold {min_tol}.", - ) - break - - if o_iter + 1 == max_iter: - log.logger.info( - f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." - + f" Reach maximum iteration threshold {max_iter}.", - ) - - return None diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index 93adbe0..1df38c9 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -2,17 +2,15 @@ from typing import NamedTuple, Tuple import equinox as eqx -import pandas as pd import jax.numpy as jnp -from jax import Array, lax, random +from jax import Array, lax from jax.typing import ArrayLike from . import infer, log, utils __all__ = [ "infer_sushie_ss", - "make_cs_ss", ] @@ -39,6 +37,7 @@ def infer_sushie_ss( min_tol: float = 1e-4, threshold: float = 0.95, purity: float = 0.5, + purity_method: str = "weighted", max_select: int = 500, min_snps: int = 100, no_reorder: bool = False, @@ -65,6 +64,7 @@ def infer_sushie_ss( threshold: The credible set threshold. Default is :math:`0.95`. purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. Default is :math:`0.5`. + purity_method: The method to compute purity across ancestries. Default is ``weighted``. max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. @@ -355,12 +355,14 @@ def infer_sushie_ss( if not no_reorder: priors, posteriors, l_order = infer._reorder_l(priors, posteriors) - cs, full_alphas, pip_all, pip_cs = make_cs_ss( + cs, full_alphas, pip_all, pip_cs = infer.make_cs( posteriors.alpha, - lds, ns, + None, + lds, threshold, purity, + purity_method, max_select, seed, ) @@ -518,367 +520,3 @@ def _erss_ss( term_5 = jnp.einsum("kp,klp->k", jnp.diagonal(XtXs, axis1=1, axis2=2), tr_beta_sq) return term_1 + term_2 + term_3 + term_4 + term_5 - - -def make_cs_ss( - alpha: ArrayLike, - lds: ArrayLike, - ns: ArrayLike, - threshold: float = 0.9, - purity: float = 0.5, - max_select: int = 500, - seed: int = 12345, -) -> Tuple[pd.DataFrame, pd.DataFrame, Array, Array]: - """The function to compute the credible sets. - - Args: - alpha: :math:`L \\times p` matrix that contains posterior probability for SNP to be causal - (i.e., :math:`\\alpha` in :ref:`Model`). - Xs: Genotype data for multiple ancestries. - ns: Sample size for each ancestry. - threshold: The credible set threshold. - purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. - max_select: The maximum number of selected SNPs to compute purity. - seed: The randomization seed for selecting SNPs in the credible set to compute purity. - - Returns: - :py:obj:`Tuple[pd.DataFrame, pd.DataFrame]`: A tuple of - #. credible set (:py:obj:`pd.DataFrame`) after pruning for purity, - #. full credible set (:py:obj:`pd.DataFrame`) before pruning for purity. - #. PIPs (:py:obj:`Array`) across :math:`L` credible sets. - #. PIPs (:py:obj:`Array`) across credible sets that are not pruned. An array of zero if all credible sets - are pruned. - - """ - rng_key = random.PRNGKey(seed) - n_l, n_snps = alpha.shape - t_alpha = pd.DataFrame(alpha.T).reset_index() - - cs = pd.DataFrame(columns=["CSIndex", "SNPIndex", "alpha", "c_alpha"]) - full_alphas = t_alpha[["index"]] - - for ldx in range(n_l): - # select original index and alpha - tmp_pd = ( - t_alpha[["index", ldx]] - .sort_values(ldx, ascending=False) - .reset_index(drop=True) - ) - tmp_pd["csum"] = tmp_pd[[ldx]].cumsum() - n_row = tmp_pd[tmp_pd.csum < threshold].shape[0] - - # if select rows less than total rows, n_row + 1 - if n_row == tmp_pd.shape[0]: - select_idx = jnp.arange(n_row) - else: - select_idx = jnp.arange(n_row + 1) - - # output CS Index is 1-based - tmp_cs = ( - tmp_pd.iloc[select_idx, :] - .assign(CSIndex=(ldx + 1)) - .rename(columns={"csum": "c_alpha", "index": "SNPIndex", ldx: "alpha"}) - ) - - tmp_pd["in_cs"] = (tmp_pd.index.values <= jnp.max(select_idx)) * 1 - - # prepare alphas table's entries - tmp_pd = tmp_pd.drop(["csum"], axis=1).rename( - columns={ - "in_cs": f"in_cs_l{ldx + 1}", - ldx: f"alpha_l{ldx + 1}", - } - ) - - full_alphas = full_alphas.merge(tmp_pd, how="left", on="index") - - # check the purity - snp_idx = tmp_cs.SNPIndex.values.astype("int64") - - # randomly select `max_select` SNPs - if len(snp_idx) > max_select: - snp_idx = random.choice( - rng_key, snp_idx, shape=(max_select,), replace=False - ) - - # update the genotype data and LD - ld = lds[:, snp_idx, :][:, :, snp_idx] - - ss_weight = ns / jnp.sum(ns) - - avg_corr = jnp.sum( - jnp.min(jnp.abs(ld), axis=(1, 2))[:, jnp.newaxis] * ss_weight - ) - - full_alphas[f"purity_l{ldx + 1}"] = avg_corr - - if avg_corr > purity: - cs = pd.concat([cs, tmp_cs], ignore_index=True) - full_alphas[f"kept_l{ldx + 1}"] = 1 - else: - full_alphas[f"kept_l{ldx + 1}"] = 0 - - pip_all = utils.make_pip(alpha) - - # CSIndex is now 1-based - pip_cs = utils.make_pip( - alpha[ - (cs.CSIndex.unique().astype(int) - 1), - ] - ) - - n_snp_cs = cs.SNPIndex.values.astype(int) - n_snp_cs_unique = jnp.unique(cs.SNPIndex.values.astype(int)) - - if len(n_snp_cs) != len(n_snp_cs_unique): - log.logger.warning( - "Same SNPs appear in different credible set, which is very unusual." - + " You may want to check this gene in details." - ) - - cs["pip_all"] = jnp.array([pip_all[idx] for idx in cs.SNPIndex.values.astype(int)]) - cs["pip_cs"] = jnp.array([pip_cs[idx] for idx in cs.SNPIndex.values.astype(int)]) - - full_alphas["pip_all"] = pip_all - full_alphas["pip_cs"] = pip_cs - full_alphas = full_alphas.rename(columns={"index": "SNPIndex"}) - - log.logger.info( - f"{len(cs.CSIndex.unique())} out of {n_l} credible sets remain after pruning based on purity ({purity})." - + " For detailed results, specify --alphas." - ) - - return cs, full_alphas, pip_all, pip_cs - - -def _infer_ss_test( - lds: ArrayLike, - ns: ArrayLike, - zs: ArrayLike, - L: int = 10, - no_update: bool = False, - pi: ArrayLike = None, - resid_var: utils.ListFloatOrNone = None, - effect_var: utils.ListFloatOrNone = None, - rho: utils.ListFloatOrNone = None, - max_iter: int = 500, - min_tol: float = 1e-4, -) -> None: - """The main inference function for running SuShiE. - - Args: - lds: LD matrix for multiple ancestries. - zs: molQTL scan z scores for multiple ancestries. - ns: Sample size for each ancestry. - L: Inferred number of eQTLs for the gene. - no_update: Do not update the effect size prior. Default is to update. - pi: The probability prior for one SNP to be causal (:math:`\\pi` in :ref:`Model`). Default is :math:`1` over - the number of SNPs by specifying it as ``None``. - resid_var: Prior residual variance (:math:`\\sigma^2_e` in :ref:`Model`). - Default is :math:`0.001` by specifying it as ``None``. - effect_var: Prior causal effect size variance (:math:`\\sigma^2_{i,b}` in :ref:`Model`). - Default is :math:`0.001` by specifying it as ``None``. - rho: Prior effect size correlation (:math:`\\rho` in :ref:`Model`). - Default is :math:`0.1` by specifying it as ``None``. - max_iter: The maximum iteration for optimization. Default is :math:`500`. - min_tol: The convergence tolerance. Default is :math:`10^{-4}`. - threshold: The credible set threshold. Default is :math:`0.95`. - purity: The minimum pairwise correlation across SNPs to be eligible as output credible set. - Default is :math:`0.5`. - max_select: The maximum number of selected SNPs to compute purity. Default is :math:`500`. - min_snps: The minimum number of SNPs to fine-map. Default is :math:`100`. - no_reorder: Do not re-order single effects based on Frobenius norm of alpha-weighted posterior mean square. - Default is to re-order. - seed: The randomization seed for selecting SNPs in the credible set to compute purity. Default is :math:`12345`. - - Returns: - :py:obj:`SushieResult`: A SuShiE result object that contains prior (:py:obj:`Prior`), - posterior (:py:obj:`Posterior`), ``cs``, ``pip``, ``elbo``, and ``elbo_increase``. - - """ - n_pop = ns.shape[0] - - # first regress out covariates if there are any, then scale the genotype and phenotype - - if resid_var is None: - resid_var = [] - for idx in range(n_pop): - resid_var.append(1) - else: - if len(resid_var) != n_pop: - raise ValueError( - f"Number of specified residual prior ({len(resid_var)}) does not match ancestry number ({n_pop})." - ) - resid_var = [float(i) for i in resid_var] - if jnp.any(jnp.array(resid_var) <= 0): - raise ValueError( - f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." - ) - - n_snps = lds[0].shape[0] - - param_effect_var = effect_var - if effect_var is None: - effect_var = [1e-3] * n_pop - else: - if len(effect_var) != n_pop: - raise ValueError( - f"Number of specified effect prior ({len(effect_var)}) does not match ancestry number ({n_pop})." - ) - effect_var = [float(i) for i in effect_var] - if jnp.any(jnp.array(effect_var) <= 0): - raise ValueError( - f"The input of effect size prior ({effect_var})is invalid (<0)." - ) - - exp_num_rho = math.comb(n_pop, 2) - param_rho = rho - if rho is None: - rho = [0.1] * exp_num_rho - else: - if n_pop == 1: - log.logger.info( - "Running single-ancestry SuShiE, but --rho is specified. Will ignore." - ) - - if (len(rho) != exp_num_rho) and n_pop != 1: - raise ValueError( - f"Number of specified rho ({len(rho)}) does not match expected" - + f"number {exp_num_rho}.", - ) - rho = [float(i) for i in rho] - # double-check the if it's invalid rho - if jnp.any(jnp.abs(jnp.array(rho)) >= 1): - raise ValueError( - f"The input of rho ({rho}) is invalid (>=1 or <=-1). Check your input." - ) - - effect_covar = jnp.diag(jnp.array(effect_var)) - ct = 0 - for col in range(n_pop): - for row in range(1, n_pop): - if col < row: - _two_sd = jnp.sqrt(effect_var[row] * effect_var[col]) - effect_covar = effect_covar.at[row, col].set(rho[ct] * _two_sd) - effect_covar = effect_covar.at[col, row].set(rho[ct] * _two_sd) - ct += 1 - - if no_update: - # if we specify no_update and rho, we want to keep rho through iterations and update variance - if param_effect_var is None and param_rho is not None and n_pop != 1: - prior_adjustor = infer._PriorAdjustor( - times=jnp.eye(n_pop), - plus=effect_covar - jnp.diag(jnp.diag(effect_covar)), - ) - - log.logger.info( - "No updates on the prior effect correlation rho while updating prior effect variance." - ) - # if we specify no_update and effect_covar, we want to keep variance through iterations, and update rho - elif param_effect_var is not None and param_rho is None and n_pop != 1: - prior_adjustor = infer._PriorAdjustor( - times=jnp.ones((n_pop, n_pop)) - jnp.eye(n_pop), - plus=effect_covar * jnp.eye(n_pop), - ) - log.logger.info( - "No updates on the prior effect variance while updating prior effect correlation rho." - ) - # if we (do not specify effect_covar and rho) or (specify both effect_covar and rho) - # nothing is updated through iterations - else: - prior_adjustor = infer._PriorAdjustor( - times=jnp.zeros((n_pop, n_pop)), plus=effect_covar - ) - log.logger.info( - "No updates on the prior effect size variance/covariance matrix." - ) - else: - prior_adjustor = infer._PriorAdjustor( - times=jnp.ones((n_pop, n_pop)), plus=jnp.zeros((n_pop, n_pop)) - ) - - # define: - # k is ancestry - # n is sample size - # p is SNP - # l is the number of effects - - priors = infer.Prior( - # p x 1 - pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, - # k x 1 - resid_var=jnp.array(resid_var)[:, jnp.newaxis], - # l x k x k - effect_covar=jnp.array([effect_covar] * L), - ) - - posteriors = infer.Posterior( - # l x p - alpha=jnp.zeros((L, n_snps)), - # l x p x k - post_mean=jnp.zeros((L, n_snps, n_pop)), - # l x p x k x k - post_mean_sq=jnp.zeros((L, n_snps, n_pop, n_pop)), - # l x n x n - weighted_sum_covar=jnp.zeros((L, n_pop, n_pop)), - kl=jnp.zeros((L,)), - ) - - # since we use prior adjustor, this is really no need - # opt_v_func = NoopOptFunc() would work - opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() - - # get XtXs and Xtys - sigma2 = ns / (ns + zs ** 2) - Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs - XtXs = ns[:, :, jnp.newaxis] * lds - - elbo_tracker = jnp.array([-jnp.inf]) - elbo_increase = True - for o_iter in range(max_iter): - prev_priors = priors - prev_posteriors = posteriors - - priors, posteriors, elbo_cur = _update_effects_ss( - Xtys, - XtXs, - ns, - priors, - posteriors, - prior_adjustor, - opt_v_func, - ) - elbo_last = elbo_tracker[o_iter] - elbo_tracker = jnp.append(elbo_tracker, elbo_cur) - elbo_increase = elbo_cur >= elbo_last or jnp.isclose( - elbo_cur, elbo_last, atol=1e-8 - ) - - if not elbo_increase: - log.logger.warning( - f"Optimization concludes after {o_iter + 1} iterations." - + f" ELBO decreases. Final ELBO score: {elbo_cur}. Return last iteration's results." - + " It can be precision issue," - + " and adding 'import jax; jax.config.update('jax_enable_x64', True)' may fix it." - + " If this issue keeps rising for many genes, contact the developer." - ) - priors = prev_priors - posteriors = prev_posteriors - break - - decimal_digit = len(str(min_tol)) - str(min_tol).find(".") - 1 - - if jnp.abs(elbo_cur - elbo_last) < min_tol: - log.logger.info( - f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." - + f" Reach minimum tolerance threshold {min_tol}.", - ) - break - - if o_iter + 1 == max_iter: - log.logger.info( - f"Optimization concludes after {o_iter + 1} iterations. Final ELBO score: {elbo_cur:.{decimal_digit}f}." - + f" Reach maximum iteration threshold {max_iter}.", - ) - - return None diff --git a/sushie/io.py b/sushie/io.py index 5f8ac46..79c5991 100644 --- a/sushie/io.py +++ b/sushie/io.py @@ -23,6 +23,8 @@ "read_triplet", "read_bgen", "read_vcf", + "read_gwas", + "read_ld", "output_cs", "output_alphas", "output_weights", @@ -67,6 +69,23 @@ class CleanData(NamedTuple): pi: utils.ListArrayOrNone +class ssData(NamedTuple): + """Define the summary data object ready for the future inference. + + Attributes: + gwas: GWAS data. + lds: LD data. + ssize: GWAS sample size + pi: prior weights for each SNP to be causal. + + """ + + gwas: List[Array] + lds: List[Array] + ssize: List[int] + pi: utils.ListArrayOrNone + + class RawData(NamedTuple): """Define the raw data object for the future data cleaning. @@ -265,6 +284,73 @@ def read_bgen(path: str) -> Tuple[pd.DataFrame, pd.DataFrame, Array]: return bim, fam, bed +def read_gwas( + path: str, header: List[str], chrom: int, start: int, end: int +) -> pd.DataFrame: + """Read in GWAS data in tsv file. + + Args: + path: The path for GWAS data (full file name). + header: The header for GWAS data. + chrom: The chromosome number. + start: The start position. + end: The end position. + + Returns: + :py:obj:`pd.DataFrame` + + """ + + df_gwas = pd.read_csv(path, sep="\t").dropna() + + if not all(col in df_gwas.columns for col in header): + raise ValueError("The specified GWAS columns are not in the GWAS data.") + + df_gwas = ( + df_gwas[header] + .rename( + columns={ + header[0]: "chrom", + header[1]: "snp", + header[2]: "pos", + header[3]: "a1", + header[4]: "a0", + header[5]: "z", + } + ) + .replace([jnp.inf, -jnp.inf], jnp.nan, inplace=False) + .dropna(inplace=False) + ) + + df_gwas[["chr"]] = df_gwas[["chr"]].astype(int) + df_gwas = df_gwas[df_gwas.chr == chrom] + df_gwas = df_gwas[df_gwas.pos >= start] + df_gwas = df_gwas[df_gwas.pos <= end].copy().reset_index(drop=True) + + return df_gwas + + +def read_ld(path: str) -> Array: + """Read in ld data in tsv file. + + Args: + path: The path for bgen genotype data (full file name). + + Returns: + :py:obj:`Array` + + """ + + ld = pd.read_csv(path, sep="\t").replace([jnp.inf, -jnp.inf], jnp.nan) + + rows_to_drop = ld.index[ld.isna().any(axis=1)] + cols_to_drop = ld.columns[ld.isna().any(axis=0)] + + ld = ld.drop(rows_to_drop).drop(cols_to_drop, axis=1) + + return ld + + # output functions def output_cs( result: List[infer.SushieResult], From f99a4ea302e030bd05f333a3dff3c188ee753f20 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Thu, 24 Oct 2024 22:20:39 -0700 Subject: [PATCH 12/14] add cli for summary-level data fine-mapping --- README.md | 30 +- data/AFR.gwas | 220 ++++---- data/AFR.ld | 220 ++++---- data/EAS.gwas | 110 ++++ data/EAS.ld | 110 ++++ data/EUR.gwas | 220 ++++---- data/EUR.ld | 220 ++++---- data/HIS.gwas | 110 ---- data/HIS.ld | 110 ---- data/make_example.py | 25 +- docs/manual.rst | 117 +++- misc/run_sushie.sh | 35 +- sushie/cli.py | 1237 +++++++++++++++++++++++++++--------------- sushie/infer.py | 14 +- sushie/infer_ss.py | 20 +- sushie/io.py | 28 +- sushie/utils.py | 3 + 17 files changed, 1675 insertions(+), 1154 deletions(-) create mode 100644 data/EAS.gwas create mode 100644 data/EAS.ld delete mode 100644 data/HIS.gwas delete mode 100644 data/HIS.ld diff --git a/README.md b/README.md index 58046fc..89929a2 100644 --- a/README.md +++ b/README.md @@ -49,11 +49,18 @@ software versions of the other projects. SuShiE software is very easy to use: +For fine-mapping using individual-level data: ``` bash cd ./data/ sushie finemap --pheno EUR.pheno AFR.pheno --vcf vcf/EUR.vcf vcf/AFR.vcf --covar EUR.covar AFR.covar --output ./test_result ``` +For fine-mapping using summary-level data: +``` bash +cd ./data/ +sushie finemap --summaary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf vcf/AFR.vcf --sample-size 489 639 --gwas-header chrom snp pos a1 a0 zs --output ./test_result +``` + It can perform: - SuShiE: multi-ancestry fine-mapping accounting for ancestral @@ -63,33 +70,36 @@ It can perform: correlation - Meta-SuSiE: single-ancestry SuSiE followed by meta-analysis - Mega-SuSiE: single-ancestry SuSiE on row-wise stacked data across - ancestries -- QTL effect size correlation estimation -- cis-SNP heritability estimation -- Cross-validation for SuShiE prediction weights + ancestries (individual-level data only) +- *cis*-molQTL effect size correlation estimation +- *cis*-SNP heritability estimation (individual-level data only) +- Cross-validation for SuShiE prediction weights (individual-level data only) - Convert prediction results to [FUSION](http://gusevlab.org/projects/fusion/) format, thus can be - used in [TWAS](https://www.nature.com/articles/ng.3506) + used in [TWAS](https://www.nature.com/articles/ng.3506) (individual-level data only) See [here](https://mancusolab.github.io/sushie/) for more details on how to use SuShiE. If you want to use in-software SuShiE inference function, you can use -following code as an example: +following Python code as an example: ``` python from sushie.infer import infer_sushie # Xs is for genotype data, and it should be a list of numpy array whose length is the number of ancestry. # ys is for phenotype data, and it should also be a list of numpy array whose length is the number of ancestry. infer_sushie(Xs=X, ys=y) +# Or individual-level data +# LD is for LD data, and it should be a list of p by p numpy array whose length is the number of ancestry. +# GWAS is for GWAS data, and it should be a list of numpy array whose length is the number of ancestry/ +infer_sushie_ss(lds=LD, zs=GWAS, ns=np.array([100, 100])) ``` -You can play it with your own ideas! +You can customize this function with your own ideas! ## Notes -- SuShiE currently only supports **continuous** phenotype fine-mapping. -- SuShiE currently only supports fine-mapping on autosomes. +- SuShiE currently only supports **continuous** phenotype fine-mapping for individual-level data. - SuShiE uses [JAX](https://github.com/google/jax) with [Just In Time](https://jax.readthedocs.io/en/latest/jax-101/02-jitting.html) compilation to achieve high-speed computation. However, there are @@ -108,7 +118,7 @@ You can play it with your own ideas! | 0.13 | Add `--keep` command to enable user to specify a file that contains the subjects ID SuShiE will perform on. Add `--ancestry_index` command to enable user to specify a file that contains the ancestry index for fine-mapping. With this, user can input single phenotype, genotype, and covariate file that contains all the subjects across ancestries. Implement padding to increase inference time. Record elbo at each iteration and can access it in the `infer.SuShiEResult` object. The alphas table now outputs the average purity and KL divergence for each `L`. Change `--kl_threshold` to `--divergence`. Add `--maf` command to remove SNPs that less than minor allele frequency threshold within each ancestry. Add `--max_select` command to randomly select maximum number of SNPs to compute purity to avoid unnecessary memory spending. Add a QC function to remove duplicated SNPs. | | 0.14 | Remove KL-Divergence pruning. Enhance command line appearance and improve the output files contents. Fix small bugs on multivariate KL. | | 0.15 | Fix several typos; add a sanity check on reading vcf genotype data by assigning gt_types==Unknown as NA; Add preprint information. | -| 0.16 | Add option to remove ambiguous SNPs; fix several bugs and enhance codes quality. | +| 0.16 | Implement summary-level data inference. Add option to remove ambiguous SNPs; fix several bugs and enhance codes quality. | ## Support diff --git a/data/AFR.gwas b/data/AFR.gwas index b15785f..581a249 100644 --- a/data/AFR.gwas +++ b/data/AFR.gwas @@ -1,110 +1,110 @@ -beta se pval zs --0.004676203331306684 0.03962100163377246 0.9060863621451842 -0.11802334970049684 --0.04339216211727496 0.03958412673261961 0.2734050429202548 -1.0962010709590142 --0.028669113864057426 0.03960516339598269 0.4694093711691525 -0.7238731368790527 -0.007680535596350692 0.0396202690072482 0.8463522407637654 0.19385369632259694 --0.04471392914644891 0.03958181027124288 0.259045344637863 -1.129658518396129 -0.07131785573975574 0.03952055019656857 0.0716131465807983 1.8045764895739742 -0.027773378916742402 0.03960615536463248 0.4834099926891542 0.7012389529114327 -0.05176236294540137 0.039568327265525505 0.19128523662876462 1.3081766787371905 -0.037811334582108974 0.039593109455378556 0.33994104810066306 0.9549978544807742 -0.024041191945449805 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a/data/make_example.py +++ b/data/make_example.py @@ -67,8 +67,13 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): for idx in range(n_pop): tmp_bim, tmp_fam, tmp_bed = read_plink(f"./plink/{pop[idx]}", verbose=False) - tmp_bim = tmp_bim[["chrom", "snp", "a0", "a1", "i"]].rename( - columns={"i": f"bimIDX_{idx}", "a0": f"a0_{idx}", "a1": f"a1_{idx}"} + tmp_bim = tmp_bim[["chrom", "snp", "pos", "a0", "a1", "i"]].rename( + columns={ + "pos": f"pos_{idx}", + "i": f"bimIDX_{idx}", + "a0": f"a0_{idx}", + "a1": f"a1_{idx}", + } ) bim.append(tmp_bim) fam.append(tmp_fam) @@ -92,7 +97,7 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): ) flip_idx.append(tmp_flip_idx) snps = snps.drop(columns=[f"a0_{idx}", f"a1_{idx}"]) - snps = snps.rename(columns={"a0_0": "a0", "a1_0": "a1"}) + snps = snps.rename(columns={"a0_0": "a0", "a1_0": "a1", "pos_0": "pos"}) lds = [] for idx in range(n_pop): @@ -103,9 +108,10 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): bed[idx][flip_idx[idx - 1]] = 2 - bed[idx][flip_idx[idx - 1]] lds.append(_compute_ld(bed[idx])) -pd.DataFrame(_compute_ld(bed[0])).to_csv("EUR.ld", sep="\t", index=False) -pd.DataFrame(_compute_ld(bed[1])).to_csv("AFR.ld", sep="\t", index=False) -pd.DataFrame(_compute_ld(bed[2])).to_csv("HIS.ld", sep="\t", index=False) +for idx in range(n_pop): + tmp_ld = pd.DataFrame(_compute_ld(bed[idx])) + tmp_ld.columns = snps.snp + tmp_ld.round(4).to_csv(f"{pop[idx]}.ld", sep="\t", index=False) # we assume there exists 2 causal snps, and the heritability is 0.5 (we make it large as demonstrating purpose) # we also assume the qtl effect size correlations are 0.8 for all ancestry pairs @@ -169,9 +175,10 @@ def _allele_check(baseA0, baseA1, compareA0, compareA1): pd.concat(all_covar).to_csv("./all.covar", index=False, header=None, sep="\t") pd.concat(fam_index).to_csv("./all.ancestry.index", index=False, header=None, sep="\t") -all_gwas[0].to_csv("./EUR.gwas", index=False, header=True, sep="\t") -all_gwas[1].to_csv("./AFR.gwas", index=False, header=True, sep="\t") -all_gwas[2].to_csv("./HIS.gwas", index=False, header=True, sep="\t") +for idx in range(n_pop): + pd.concat( + [snps[["chrom", "snp", "pos", "a0", "a1"]], all_gwas[idx]], axis=1 + ).to_csv(f"./{pop[idx]}.gwas", index=False, header=True, sep="\t") # create keep.subject file, randomly 1500 from 1609 individuals rng_key, pt_key = random.split(rng_key, 2) diff --git a/docs/manual.rst b/docs/manual.rst index 5cb5eac..c754353 100644 --- a/docs/manual.rst +++ b/docs/manual.rst @@ -36,7 +36,10 @@ Users can download the latest repository and then use ``pip``: Data Preparation ================ -SuShiE performs SNP fine-mapping on molecular data (e.g., gene expressions). Therefore, it requires at least phenotype and genotype data specified with the option to specify covariates. +Fine-mapping using individual-level data +----------------------------------------- + +To fine-map using individual-level data, SuShiE requires at least phenotype and genotype data specified with the option to specify covariates. Although we highly recommend users to perform high-quality QC on their own genotype, phenotype, and covariate data, we implement following basic QCs in the software: @@ -47,11 +50,25 @@ Although we highly recommend users to perform high-quality QC on their own genot #. Only keep SNPs that are available in all the ancestries. #. Adjust genotype data across ancestries based on the same reference alleles. Drop non-biallelic SNPs. #. Remove SNPs that have minor allele frequency (MAF) less than 1% within each ancestry (users can change 1% with ``--maf``). -# Users also have an option to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or GC) by specifying ``--keep-ambiguous`` (Default is NOT to keep them). +#. Users also have an option to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or GC) by specifying ``--keep-ambiguous`` (Default is NOT to keep them). #. For single ancestry SuSiE or Mega-SuSiE, users have the option to perform rank inverse normalization transformation on the phenotype data. See :func:`sushie.cli.process_raw` for these QCs' source codes. +Fine-mapping using summary-level data (GWAS statistics) +------------------------------------------------------- + +To fine-map using summary-level data, SuShiE requires at least GWAS z statistics, sample sizes, and LD data. For LD data, users can provide individual-level genotype in PLINK1.9, VCF, or BGEN format and let SuShiE compute the LD matrix, or provide pre-computed LD matrix in tsv format. + +Although we highly recommend users to perform high-quality QC on their own summary-level data, we implement following basic QCs in the software: + +#. Remove SNPs with N/A values in GWAS. +#. Only keep SNPs that are available in all the ancestries. +#. Adjust GWAS and genotype data across ancestries based on the same reference alleles. Drop non-biallelic SNPs. +#. Remove SNPs (for LD computation) that have minor allele frequency (MAF) less than 1% within each ancestry (users can change 1% with ``--maf``). +#. Users also have an option to keep ambiguous SNPs (i.e., A/T, T/A, C/G, or GC) by specifying ``--keep-ambiguous`` (Default is NOT to keep them). + + Testing Data ------------ @@ -76,6 +93,8 @@ We make a bash script ``./misc/run_sushie.sh`` to show a more general working fl If users still have questions, feel free to contact the developers. +Here are some examples for fine-mapping using individual-level data: + 1. Two-Ancestry SuShiE ---------------------- @@ -271,6 +290,50 @@ Users can use ``--pi`` command to specify a tsv file that contains the SNP ID an cd ./data/ sushie finemap --pheno EUR.pheno AFR.pheno --vcf vcf/EUR.vcf vcf/AFR.vcf --pi prior_weights --output ./test_result +Here are some examples for fine-mapping using individual-level data: + +1. I want to perform fine-mapping on summary-level data and I provide individual-level reference panels for LD. + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf AFR.vcf --sample-size 489 639 --output ./test_result + +2. I want to perform fine-mapping on summary-level data and I provide pre-computed LD matrix. + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --ld EUR.ld AFR.ld --sample-size 489 639 --output ./test_result + +3. I want to only focus on SNPs with GWAS P values less than 5e-8 across ``all`` ancestries. + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf AFR.vcf --sample-size 489 639 --gwas-sig 5e-8 --gwas-sig-type all --output ./test_result + +4. I want to only focus on SNPs between 1bp and 1Mbp on chromsome 6 + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf AFR.vcf --sample-size 489 639 --chrom 6 --start 1 --end 1000000 --output ./test_result + +5. My GWAS data has different column names. + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf AFR.vcf --sample-size 489 639 --gwas-header CHR SNP BP A1 A2 STAT --output ./test_result + +6. I want to add small number to diagonal of my LD matrix to make it positive definite. + +.. code:: bash + + cd ./data/ + sushie finemap --summary --gwas EUR.gwas AFR.gwas --ld EUR.ld AFR.ld --sample-size 489 639 --ld-adjust 1e-3 --output ./test_result + .. _Param: Parameters @@ -284,6 +347,11 @@ Parameters - Default - Example - Notes + * - ``--summary`` + - Boolean + - False + - ``--summary # will store as True`` + - Indicator whether to run fine-mapping on summary statistics. Default is False. If True, the software will need GWAS files as input data by specifying --gwas and need LD matrix by specifying either --ld or one of the --plink, --vcf, or --bgen. If False, the software will need phenotype data by specifying --pheno and genotype data by specifying either --plink, --vcf, or --bgen. * - ``--pheno`` - String - Required, no default @@ -319,6 +387,46 @@ Parameters - None - ``--covar EUR.covar AFR.covar`` - Covariates that will be accounted in the fine-mapping. It has to be a tsv file that contains at least two columns where the first column is the subject ID. It can be a compressed file (e.g., tsv.gz). **No headers**. All the columns will be counted. Use ``space`` to separate ancestries if more than two. Keep the same ancestry order as phenotype's. Pre-converting the categorical covariates into dummy variables is required. If the categorical covariate has ``n`` levels, make sure the dummy variables have ``n-1`` columns. + * - ``--ld`` + - String + - None + - ``--ld EUR.ld AFR.ld`` + - LD files that will be used in the fine-mapping. Default is None. Keep the same ancestry order as GWAS files. It has to be a tsv or comparessed file (e.g., tsv.gz). The header has to be the SNP name matching the GWAS data in --gwas. It can have less or more SNPs than the GWAS data, and the software will find the overlap SNPs. Users must ensure that the LD and GWAS z statistics are computed using the same counting alleles. + * - ``--chrom`` + - Integer + - None + - ``--chrom 6`` + - Chromsome number to subset GWAS SNPs in the fine-mapping. Default is None. Value has to be an integer number between 1 and 22. + * - ``--start`` + - Integer + - None + - ``--start 1`` + - Base-pair start position to subset GWAS SNPs in the fine-mapping. Default is None. Value has to be a positive integer number. + * - ``--end`` + - Integer + - None + - ``--end 1000000`` + - Base-pair end position to subset GWAS SNPs in the fine-mapping. Default is None. Value has to be a positive integer number. + * - ``--sample-size`` + - Integer + - None + - ``--sample-size 489 639`` + - GWAS sample size of each ancestry. Default is None. Values have to be positive integer. Use 'space' to separate ancestries if more than two. The order has to be the same as the GWAS data in --gwas. + * - ``--gwas-header`` + - String + - chrom snp pos a1 a2 z + - ``--gwas-header CHR SNP BP A1 A2 Z`` + - GWAS file header names. Default is ['chrom', 'snp', 'pos', 'a1', 'a0', 'z']. Users can specify the header names for the GWAS data in this order. + * - ``--gwas-sig`` + - Float + - None + - ``--gwas-sig 5e-8`` + - The significance threshold for SNPs to be included in the fine-mapping. Default is 1.0. Only SNPs with P value less than this threshold will be included. It has to be a float number between 0 and 1. + * - ``--gwas-sig-type`` + - String + - at-least + - ``--gwas-sig-type all`` + - The cases how to include significant SNPs in the fine-mapping across ancestries. If it is 'at-least', the software will include SNPs that are significant in at least one ancestry. If it is 'all', the software will include SNPs that are significant in all ancestries. Default is 'at-least'. The significant threshold is specified by --gwas-sig. * - ``--L`` - Integer - 10 @@ -384,6 +492,11 @@ Parameters - "weighted" - ``--purity_method max`` - Specify the method to compute purity across ancestries. Users choose 'weighted', 'max', or 'min'. `weighted` is the sum of the purity of each ancestry weighted by the sample size.", `max` is the maximum purity value across ancestries. `min` is the minimum purity value across ancestries. Default is weighted. + * - ``--ld-adjust`` + - Float + - 0 + - ``--ld-adjust 1e-3`` + - The adjusting number to LD diagonal to ensure the positive definiteness. It has to be positive integer number between 0 and 0.1. Default is 0. * - ``--max-select`` - Integer - 250 diff --git a/misc/run_sushie.sh b/misc/run_sushie.sh index b3ee81d..1fbb1b1 100644 --- a/misc/run_sushie.sh +++ b/misc/run_sushie.sh @@ -33,11 +33,34 @@ do covar_EUR=eur_covar_file covar_AFR=afr_covar_file + # for fine-mapping using individual-level data sushie finemap \ - --pheno $pheno_EUR $pheno_AFR \ - --covar $covar_EUR $covar_AFR \ - # if your genotype data is in plink1.9 - --plink $geno_EUR $geno_AFR \ - --trait ${NAME} \ - --output ${NAME}.sushie + --pheno $pheno_EUR $pheno_AFR \ + --covar $covar_EUR $covar_AFR \ + --plink $geno_EUR $geno_AFR \ + --trait ${NAME} \ + --output ${NAME}.sushie + + gwas_EUR=eur_gwas_file + gwas_AFR=afr_gwas_file + + ld_EUR=eur_ld_file + ld_AFR=afr_ld_file + + # for fine-mapping using summary-level data (User specify LD matrix) + sushie finemap \ + --summary \ + --gwas $gwas_EUR $gwas_AFR \ + --ld $ld_EUR $ld_AFR \ + --sample-size 100 100 \ + --trait ${NAME} \ + --output ${NAME}.sushie + + # for fine-mapping using summary-level data (User specify individual-level reference data) + sushie finemap \ + --summary \ + --gwas $gwas_EUR $gwas_AFR \ + --plink $geno_EUR $geno_AFR \ + --trait ${NAME} \ + --output ${NAME}.sushie done diff --git a/sushie/cli.py b/sushie/cli.py index 7393eda..7fab98b 100755 --- a/sushie/cli.py +++ b/sushie/cli.py @@ -12,10 +12,11 @@ from typing import Callable, List, Optional, Tuple import pandas as pd +from scipy.stats import norm from jax import config, random -from . import infer, io, log, utils +from . import infer, infer_ss, io, log, utils warnings.filterwarnings("ignore") with warnings.catch_warnings(): @@ -30,40 +31,6 @@ ] -def _filter_maf(rawData: io.RawData, maf: float, idx: int) -> io.RawData: - bim, _, bed, _, _ = rawData - - old_bim_num = bim.shape[0] - - # calculate maf - snp_maf = jnp.mean(bed, axis=0) / 2 - snp_maf = jnp.where(snp_maf > 0.5, 1 - snp_maf, snp_maf) - - (sel_idx,) = jnp.where(snp_maf >= maf) - - bim = bim.iloc[sel_idx, :].reset_index(drop=True) - bed = bed[:, sel_idx] - - rawData = rawData._replace( - bim=bim, - bed=bed, - ) - - del_num = old_bim_num - len(sel_idx) - - if del_num == old_bim_num: - raise ValueError( - f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {maf}." - ) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of maf threshold at {maf}." - ) - - return rawData - - def _keep_file_subjects( rawData: io.RawData, keep_subject: List[str], idx: int ) -> io.RawData: @@ -137,32 +104,12 @@ def _drop_na_subjects(rawData: io.RawData, idx: int) -> io.RawData: return rawData -def _remove_dup_geno(rawData: io.RawData, idx: int) -> io.RawData: - bim, _, bed, _, _ = rawData - old_bim_num = bim.shape[0] - (dup_idx,) = jnp.where(bim.snp.duplicated().values) - - bim = bim.drop(dup_idx).reset_index(drop=True) - bed = jnp.delete(bed, dup_idx, 1) - del_num = len(dup_idx) - - if del_num != 0: - log.logger.debug( - f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of duplicates in the rsID" - + " in genotype data." - ) - - rawData = rawData._replace( - bim=bim, - bed=bed, - ) - - return rawData - - def _impute_geno(rawData: io.RawData, idx: int) -> io.RawData: bim, _, bed, _, _ = rawData old_bim_num = bim.shape[0] + + # to make sure that the bim index is continuous + bim = bim.reset_index(drop=True) # if we observe SNPs have nan value for all participants (although not likely), drop them (del_idx,) = jnp.where(jnp.all(jnp.isnan(bed), axis=0)) # this is the first time we modify the bim and bed file @@ -204,6 +151,66 @@ def _impute_geno(rawData: io.RawData, idx: int) -> io.RawData: return rawData +def _filter_maf(rawData: io.RawData, maf: float, idx: int) -> io.RawData: + bim, _, bed, _, _ = rawData + + old_bim_num = bim.shape[0] + + # calculate maf + snp_maf = jnp.mean(bed, axis=0) / 2 + snp_maf = jnp.where(snp_maf > 0.5, 1 - snp_maf, snp_maf) + + (sel_idx,) = jnp.where(snp_maf >= maf) + + bim = bim.iloc[sel_idx, :].reset_index(drop=True) + bed = bed[:, sel_idx] + + rawData = rawData._replace( + bim=bim, + bed=bed, + ) + + del_num = old_bim_num - len(sel_idx) + + if del_num == old_bim_num: + raise ValueError( + f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {maf}." + ) + + if del_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of maf threshold at {maf}." + ) + + return rawData + + +def _remove_dup_geno(rawData: io.RawData, idx: int) -> io.RawData: + bim, _, bed, _, _ = rawData + old_bim_num = bim.shape[0] + # to make sure that the bim index is continuous + bim = bim.reset_index(drop=True) + + (dup_idx,) = jnp.where(bim.snp.duplicated().values) + + bim = bim.drop(dup_idx).reset_index(drop=True) + bed = jnp.delete(bed, dup_idx, 1) + del_num = len(dup_idx) + + if del_num != 0: + log.logger.debug( + f"Ancestry {idx + 1}: Drop {del_num} out of {old_bim_num} SNPs because of duplicates in the rsID" + + " in genotype data." + ) + + rawData = rawData._replace( + bim=bim, + bed=bed, + ) + + return rawData + + def _reset_idx(rawData: io.RawData, idx: int) -> io.RawData: bim, fam, _, pheno, covar = rawData @@ -460,7 +467,7 @@ def parameter_check( name_ancestry = "ancestry" if n_pop == 1 else "ancestries" - log.logger.info(f"Detect phenotypes for {args.trait} from {n_pop} {name_ancestry}.") + log.logger.info(f"Detect phenotypes for {args.trait} for {n_pop} {name_ancestry}.") n_geno = ( int(args.plink is not None) @@ -486,7 +493,9 @@ def parameter_check( "The numbers of ancestries in plink geno and pheno data does not match. Check the source." ) - log.logger.info("Detect genotype data in plink format.") + log.logger.info( + f"Detect genotype data in plink format for {n_pop} {name_ancestry}." + ) geno_path = args.plink geno_func = io.read_triplet elif args.vcf is not None: @@ -500,7 +509,9 @@ def parameter_check( raise ValueError( "The numbers of ancestries in vcf geno and pheno data does not match. Check the source." ) - log.logger.info("Detect genotype data in vcf format.") + log.logger.info( + f"Detect genotype data in vcf format for {n_pop} {name_ancestry}." + ) geno_path = args.vcf geno_func = io.read_vcf elif args.bgen is not None: @@ -515,7 +526,9 @@ def parameter_check( "The numbers of ancestries in bgen geno and pheno data does not match. Check the source." ) - log.logger.info("Detect genotype data in bgen format.") + log.logger.info( + f"Detect genotype data in bgen format for {n_pop} {name_ancestry}." + ) geno_path = args.bgen geno_func = io.read_bgen else: @@ -635,7 +648,7 @@ def parameter_check_ss( name_ancestry = "ancestry" if n_pop == 1 else "ancestries" - log.logger.info(f"Detect GWAS files for {args.trait} from {n_pop} {name_ancestry}.") + log.logger.info(f"Detect GWAS files for {args.trait} for {n_pop} {name_ancestry}.") n_geno = ( int(args.plink is not None) @@ -651,14 +664,16 @@ def parameter_check_ss( ) # decide genotype data - if_ld = False + ld_file = False if args.plink is not None: if len(args.plink) != n_pop: raise ValueError( "The numbers of ancestries in plink geno and GWAS data does not match. Check the source." ) - log.logger.info("Detect genotype data in plink format.") + log.logger.info( + f"Detect genotype data in plink format for {n_pop} {name_ancestry}." + ) geno_path = args.plink geno_func = io.read_triplet elif args.vcf is not None: @@ -666,7 +681,9 @@ def parameter_check_ss( raise ValueError( "The numbers of ancestries in vcf geno and GWAS data does not match. Check the source." ) - log.logger.info("Detect genotype data in vcf format.") + log.logger.info( + f"Detect genotype data in vcf format for {n_pop} {name_ancestry}." + ) geno_path = args.vcf geno_func = io.read_vcf elif args.bgen is not None: @@ -675,7 +692,9 @@ def parameter_check_ss( "The numbers of ancestries in bgen geno and GWAS data does not match. Check the source." ) - log.logger.info("Detect genotype data in bgen format.") + log.logger.info( + f"Detect genotype data in bgen format for {n_pop} {name_ancestry}." + ) geno_path = args.bgen geno_func = io.read_bgen elif args.ld is not None: @@ -684,10 +703,10 @@ def parameter_check_ss( "The numbers of ancestries in ld geno and pheno data does not match. Check the source." ) - log.logger.info("Detect LD data in tsv files.") + log.logger.info(f"Detect LD data in tsv files for {n_pop} {name_ancestry}.") geno_path = args.ld geno_func = io.read_ld - if_ld = True + ld_file = True else: raise ValueError( "No genotype/LD data specified in either plink, vcf, bgen, or LD files. Check the source." @@ -698,7 +717,13 @@ def parameter_check_ss( raise ValueError( "The numbers of ancestries in sample size and GWAS data does not match. Check the source." ) - log.logger.info("Detect sample size.") + + if not all(sample_size > 0 for sample_size in args.sample_size): + raise ValueError( + "The sample size specified for summary-level fine-mapping is invalid. Choose a positive integer." + ) + + log.logger.info(f"Detect sample sizes for {n_pop} {name_ancestry}.") else: raise ValueError( "No sample size specified for summary-level fine-mapping. Check the source." @@ -709,6 +734,10 @@ def parameter_check_ss( "Detect file that contains prior weights for each SNP to be causal." ) pi = pd.read_csv(args.pi, header=None, sep="\t") + + # remove dupliate rows + pi = pi.drop_duplicates(subset=pi.columns[0]) + if pi.shape[0] == 0: raise ValueError( "No prior weights are listed in the prior file. Check the source." @@ -746,17 +775,38 @@ def parameter_check_ss( "The number of ancestry is 1, but --meta is specified. Will skip meta or mega SuSiE." ) - if args.start <= 0: + if args.start is not None: + if args.start <= 0: + raise ValueError( + "The start position for the region is invalid. Choose a positive integer." + ) + + if args.end is not None: + if args.end <= args.start: + raise ValueError( + "The end position for the region is invalid. Choose a positive integer" + + " greater than the start position." + ) + + if args.end is not None: + if args.end <= 0: + raise ValueError( + "The end position for the region is invalid. Choose a positive integer." + ) + + if args.gwas_sig <= 0 or args.gwas_sig > 1: raise ValueError( - "The start position for the region is invalid. Choose a positive integer." + "The P value significance threshold for GWAS summary statistics has to be between 0 and 1." + + " Choose a valid number." ) - if args.end <= args.start: + if args.ld_adjust > 0.1 or args.ld_adjust < 0: raise ValueError( - "The end position for the region is invalid. Choose a positive integer greater than the start position." + "The LD adjustment parameter has to be between 0 and 0.1." + + " Choose a valid number." ) - return n_pop, pi, geno_path, geno_func, if_ld + return n_pop, pi, geno_path, geno_func, ld_file def process_raw( @@ -872,11 +922,10 @@ def process_raw( if snps.shape[0] == 0: raise ValueError( - f"Ancestry {idx + 1} has none of correct or flippable SNPs from ancestry 1. Check the source.", + f"Ancestry {idx + 1} has none of correct or flippable SNPs matching to ancestry 1." + + "Check the source.", ) - snps = snps.reset_index(drop=True) - # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data if not keep_ambiguous: ambiguous_snps = ["AT", "TA", "CG", "GC"] @@ -926,7 +975,7 @@ def process_raw( snps = pd.merge(snps, pi, how="left", on="snp") nan_count = snps["pi"].isna().sum() if nan_count > 0: - log.logger.warning( + log.logger.debug( f"{nan_count} SNP(s) have missing prior weights. Will replace them with the mean value of the rest." ) # if the column pi has nan value, replace it with the mean value of the rest of the column @@ -1029,341 +1078,481 @@ def process_raw( return snps, regular_data, mega_data, cv_data -# def process_raw_ss( -# geno_path: List[str], -# geno_func: Callable, -# if_ld: bool, -# pi: pd.DataFrame, -# args: argparse.Namespace, -# ) -> Tuple[pd.DataFrame, io.ssData,]: -# """The function to process raw phenotype, genotype, covariates data across ancestries. - -# Args: -# geno_paths: The path for genotype data across ancestries. -# geno_func: The function to read in genotypes depending on the format. -# if_ld: The indicator whether LD matrix in provided. -# pi: The DataFrame that contains prior weights for each SNP to be causal. -# args: The command line parameter input. - -# Returns: -# :py:obj:`Tuple[pd.DataFrame, io.ssData, Optional[io.CleanData]]`: -# A tuple of -# #. SNP information (:py:obj:`pd.DataFrame`), -# #. dataset for running summary-level SuShiE (:py:obj:`io.ssData`), - -# """ - -# n_pop = len(geno_path) - -# ld_geno_list = [] -# gwas_list = [] -# for idx in range(n_pop): -# # read in GWAS data -# df_gwas = io.read_gwas( -# args.gwas[idx], args.gwas_header, args.chrom, args.start, args.end -# ) - -# # read in genotype data or LD data -# if if_ld: -# df_ld = geno_func(geno_path[idx]) -# if df_ld.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1}: No SNPs in the LD data. Check the source." -# ) -# overlap_snps = df_gwas["snp"][df_gwas["snp"].isin(df_ld.colnames)] -# if overlap_snps.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1}: No common SNPs between GWAS and LD data. Check the source." -# ) -# df_gwas = df_gwas[df_gwas["snp"].isin(overlap_snps)] -# df_gwas = df_gwas.set_index("snp").loc[overlap_snps].reset_index(drop=True) -# import pdb - -# pdb.set_trace() -# sel_index = jnp.where(df_ld.colnames == overlap_snps)[1] -# df_ld = df_ld.iloc[sel_index, sel_index] -# ld_geno_list.append(df_ld) - -# else: -# bim, fam, bed = geno_func(geno_path[idx]) - -# if bed.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1}: No SNPs in the genotype data. Check the source." -# ) - -# tmp_rawdata = io.RawData( -# bim=bim, fam=fam, bed=bed, pheno=pd.DataFrame([]), covar=None -# ) - -# old_snp_num = bim.shape[0] -# # impute genotype data even though we suggest users to impute the genotypes beforehand -# tmp_rawdata, del_num, imp_num = _impute_geno(tmp_rawdata) - -# if del_num == old_snp_num: -# raise ValueError( -# f"Ancestry {idx + 1}: All SNPs have INF or NAN value in genotype data. Check the source." -# ) - -# if del_num != 0: -# log.logger.debug( -# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because all subjects have NAN value" -# + " in genotype data." -# ) - -# if imp_num != 0: -# log.logger.debug( -# f"Ancestry {idx + 1}: Impute {imp_num} out of {old_snp_num} SNPs with NAN value based on allele" -# + " frequency." -# ) - -# old_snp_num = tmp_rawdata.bim.shape[0] -# # remove SNPs that cannot pass MAF threshold -# tmp_rawdata, del_num = _filter_maf(tmp_rawdata, args.maf) - -# if del_num == old_snp_num: -# raise ValueError( -# f"Ancestry {idx + 1}: All SNPs cannot pass the MAF threshold at {args.maf}." -# ) - -# if del_num != 0: -# log.logger.debug( -# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs" -# + f" because of maf threshold at {args.maf}." -# ) - -# old_snp_num = tmp_rawdata.bim.shape[0] -# # remove duplicates SNPs based on rsid even though we suggest users to do some QC on this -# tmp_rawdata, del_num = _remove_dup_geno(tmp_rawdata) - -# if del_num != 0: -# log.logger.debug( -# f"Ancestry {idx + 1}: Drop {del_num} out of {old_snp_num} SNPs because of duplicates in the rs ID" -# + " in genotype data." -# ) - -# # find overlap between GWAS snps and genotype snps -# tmp_bim = ( -# tmp_rawdata.bim.reset_index(drop=True) -# .reset_index() -# .rename( -# columns={ -# "index": f"bimIDX_{idx + 1}", -# "pos": f"pos_{idx + 1}", -# "a0": f"a0_{idx + 1}", -# "a1": f"a1_{idx + 1}", -# } -# ) -# ) -# overlap_snps = df_gwas["snp"][df_gwas["snp"].isin(tmp_bim["snp"])] -# if overlap_snps.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1}: No common SNPs between GWAS and genotype data. Check the source." -# ) -# df_gwas = df_gwas[df_gwas["snp"].isin(overlap_snps)] -# df_gwas = df_gwas.set_index("snp").loc[overlap_snps].reset_index(drop=True) -# tmp_bim = tmp_bim.merge(df_gwas, how="inner", on="snp") -# if tmp_bim.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1}: No common SNPs between GWAS and genotype data. Check the source." -# ) - -# tmp_rawdata = tmp_rawdata._replace(bim=tmp_bim) -# ld_geno_list -# gwas_list.append(df_gwas) - -# # find common snps across ancestries -# if n_pop > 1: -# snps = pd.merge(gwas_list[0], gwas_list[1], how="inner", on=["chrom", "snp"]) -# for idx in range(n_pop - 2): -# snps = pd.merge(snps, gwas_list[idx + 2], how="inner", on=["chrom", "snp"]) - -# if snps.shape[0] == 0: -# raise ValueError("Ancestries have no common SNPs. Check the source.") -# # report how many snps we removed due to independent SNPs -# for idx in range(n_pop): -# snps_num_diff = rawData[idx].bim.shape[0] - snps.shape[0] -# log.logger.debug( -# f"Ancestry{idx + 1} has {snps_num_diff} independent SNPs and {snps.shape[0]}" -# + " common SNPs. Inference only performs on common SNPs.", -# ) -# else: -# snps = gwas_list[0] - -# # remove non-biallelic SNPs across ancestries -# if n_pop > 1: -# for idx in range(1, n_pop): -# _, _, remove_idx = _allele_check( -# snps["a0_1"].values, -# snps["a1_1"].values, -# snps[f"a0_{idx + 1}"].values, -# snps[f"a1_{idx + 1}"].values, -# ) - -# if len(remove_idx) != 0: -# snps = snps.drop(index=remove_idx).reset_index(drop=True) -# log.logger.debug( -# f"Ancestry{idx + 1} has {len(remove_idx)} alleles that" -# + "couldn't match to ancestry 1 and couldn't be flipped. Will remove these SNPs." -# ) - -# if snps.shape[0] == 0: -# raise ValueError( -# f"Ancestry {idx + 1} has none of correct or flippable SNPs from ancestry 1. Check the source.", -# ) - -# snps = snps.reset_index(drop=True) - -# # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data -# if not keep_ambiguous: -# ambiguous_snps = ["AT", "TA", "CG", "GC"] -# if_ambig = (snps.a0_1.values + snps.a1_1.values).isin(ambiguous_snps) -# del_num = if_ambig.sum() -# snps = snps[~if_ambig].reset_index(drop=True) - -# if snps.shape[0] == 0: -# raise ValueError( -# "All SNPs are ambiguous in genotype data. Check the source." -# ) - -# if del_num != 0: -# log.logger.debug(f"Drop {del_num} ambiguous SNPs in genotype data.") - -# # find flipped reference alleles across ancestries -# flip_idx = [] -# if n_pop > 1: -# for idx in range(1, n_pop): -# correct_idx, tmp_flip_idx, _ = _allele_check( -# snps["a0_1"].values, -# snps["a1_1"].values, -# snps[f"a0_{idx + 1}"].values, -# snps[f"a1_{idx + 1}"].values, -# ) - -# if len(tmp_flip_idx) != 0: -# log.logger.debug( -# f"Ancestry{idx + 1} has {len(tmp_flip_idx)} flipped alleles from ancestry 1. Will flip these SNPs." -# ) - -# # save the index for future swapping -# flip_idx.append(tmp_flip_idx) - -# # drop unused columns -# snps = snps.drop( -# columns=[f"a0_{idx + 1}", f"a1_{idx + 1}", f"pos_{idx + 1}"] -# ) - -# # rename columns for better indexing in the future -# snps = snps.reset_index().rename( -# columns={"index": "SNPIndex", "a0_1": "a0", "a1_1": "a1", "pos_1": "pos"} -# ) - -# if pi.shape[0] != 0: -# # append prior weights to the snps -# snps = pd.merge(snps, pi, how="left", on="snp") -# nan_count = snps["pi"].isna().sum() -# if nan_count > 0: -# log.logger.warning( -# f"{nan_count} SNP(s) have missing prior weights. Will replace them with the mean value of the rest." -# ) -# # if the column pi has nan value, replace it with the mean value of the rest of the column -# snps["pi"] = snps["pi"].fillna(snps["pi"].mean()) -# pi = jnp.array(snps["pi"].values) -# else: -# snps["pi"] = jnp.ones(snps.shape[0]) / float(snps.shape[0]) -# pi = None - -# geno = [] -# pheno = [] -# covar = [] -# total_ind = 0 -# # filter on geno, pheno, and covar -# for idx in range(n_pop): -# _, tmp_fam, tmp_geno, tmp_pheno, tmp_covar = rawData[idx] - -# # get common individual and snp id -# common_ind_id = tmp_fam[f"famIDX_{idx + 1}"].values -# common_snp_id = snps[f"bimIDX_{idx + 1}"].values -# snps = snps.drop(columns=[f"bimIDX_{idx + 1}"]) - -# # filter on individuals who have both geno, pheno, and covar (if applicable) -# # filter on shared snps across ancestries -# tmp_geno = tmp_geno[common_ind_id, :][:, common_snp_id] - -# # flip genotypes for bed files starting second ancestry -# # flip index is the positional index based on snps data frame, so we have to subset genotype -# # data based on the common snps (i.e., snps data frame). -# if idx > 0 and len(flip_idx[idx - 1]) != 0: -# tmp_geno[:, flip_idx[idx - 1]] = 2 - tmp_geno[:, flip_idx[idx - 1]] - -# # swap pheno and covar rows order to match fam/bed file, and then select the -# # values for future fine-mapping -# common_pheno_id = tmp_fam[f"phenoIDX_{idx + 1}"].values -# tmp_pheno = tmp_pheno["pheno"].values[common_pheno_id] -# total_ind += tmp_pheno.shape[0] -# geno.append(tmp_geno) - -# if rint: -# tmp_pheno = utils.rint(tmp_pheno) - -# pheno.append(tmp_pheno) - -# if tmp_covar is not None: -# # select the common individual for covar -# common_covar_id = tmp_fam[f"covarIDX_{idx + 1}"].values -# n_covar = tmp_covar.shape[1] -# tmp_covar = tmp_covar.iloc[common_covar_id, 2:n_covar].values -# covar.append(tmp_covar) - -# if len(covar) == 0: -# data_covar = None -# else: -# data_covar = covar - -# regular_data = io.CleanData(geno=geno, pheno=pheno, covar=data_covar, pi=pi) - -# name_ancestry = "ancestry" if n_pop == 1 else "ancestries" - -# log.logger.info( -# f"Prepare {geno[0].shape[1]} SNPs for {total_ind} individuals from {n_pop} {name_ancestry} after" -# + " data cleaning. Specify --verbose for details.", -# ) - -# mega_data = None -# cv_data = None -# # when doing mega or cross validation, we need to regress out covariates first -# if mega or cv: -# cv_geno = copy.deepcopy(geno) -# cv_pheno = copy.deepcopy(pheno) -# if data_covar is not None: -# for idx in range(n_pop): -# cv_geno[idx], cv_pheno[idx] = utils.regress_covar( -# geno[idx], pheno[idx], data_covar[idx], no_regress -# ) - -# if cv: -# cv_data = _prepare_cv(cv_geno, cv_pheno, cv_num, seed) - -# # prepare mega dataset -# # it's possible that different ancestries have different number of covariates, -# # so we need to regress out first -# if mega: -# mega_geno = cv_geno[0] -# mega_pheno = cv_pheno[0] -# for idx in range(1, n_pop): -# mega_geno = jnp.append(mega_geno, cv_geno[idx], axis=0) -# mega_pheno = jnp.append(mega_pheno, cv_pheno[idx], axis=0) - -# # because it row-binds the phenotype data for each ancestry, we want to rint again -# mega_pheno = utils.rint(mega_pheno) -# mega_data = io.CleanData( -# geno=[mega_geno], -# pheno=[mega_pheno], -# covar=None, -# pi=pi, -# ) - -# return snps, regular_data, mega_data, cv_data +def process_raw_ss( + geno_path: List[str], + geno_func: Callable, + ld_file: bool, + pi: pd.DataFrame, + args: argparse.Namespace, +) -> Tuple[pd.DataFrame, io.ssData]: + """The function to process raw phenotype, genotype, covariates data across ancestries. + + Args: + geno_paths: The path for genotype data across ancestries. + geno_func: The function to read in genotypes depending on the format. + ld_file: The indicator whether LD matrix in provided. + pi: The DataFrame that contains prior weights for each SNP to be causal. + args: The command line parameter input. + + Returns: + :py:obj:`Tuple[pd.DataFrame, io.ssData]`: + A tuple of + #. SNP information (:py:obj:`pd.DataFrame`), + #. dataset for running summary-level SuShiE (:py:obj:`io.ssData`), + + """ + + n_pop = len(geno_path) + + ld_geno_list = [] + gwas_list = [] + for idx in range(n_pop): + # read in GWAS data + df_gwas = io.read_gwas( + args.gwas[idx], args.gwas_header, args.chrom, args.start, args.end + ) + + df_gwas = df_gwas.rename( + columns={ + "pos": f"pos_{idx + 1}", + "a0": f"a0_{idx + 1}", + "a1": f"a1_{idx + 1}", + "z": f"z_{idx + 1}", + } + ) + + # read in genotype data or LD data + if ld_file: + df_ld = geno_func(geno_path[idx]) + if not (df_ld.values == df_ld.values.T).all(): + if (df_ld.round(4).values == df_ld.round(4).values.T).all(): + df_ld = df_ld.round(4) + log.logger.debug( + f"Ancestry {idx + 1}: The LD matrix is not symmetric. Will symmetrize it" + + " by rounding to 4 digits." + ) + else: + raise ValueError( + f"Ancestry {idx + 1}: The LD matrix is still not symmetric after rounding 4 digits." + + " Check the source." + ) + + if df_ld.shape[0] == 0: + raise ValueError( + f"Ancestry {idx + 1}: No SNPs in the LD data. Check the source." + ) + + if df_gwas["snp"].isin(df_ld.columns).sum() == 0: + raise ValueError( + f"Ancestry {idx + 1}: No common SNPs between GWAS and LD data. Check the source." + ) + + # make sure the diagonal of the LD matrix is 1 + # and add a small value to the diagonal to avoid singular matrix + # default is 0 + df_ld.values[range(df_ld.shape[0]), range(df_ld.shape[0])] = ( + 1 + args.ld_adjust + ) + + ld_geno_list.append(df_ld) + else: + bim, fam, bed = geno_func(geno_path[idx]) + bim.chrom = bim.chrom.astype(int) + + if bed.shape[0] == 0: + raise ValueError( + f"Ancestry {idx + 1}: No SNPs in the genotype data. Check the source." + ) + + tmp_rawData = io.RawData( + bim=bim, fam=fam, bed=bed, pheno=pd.DataFrame([]), covar=None + ) + + # impute genotype data even though we suggest users to impute the genotypes beforehand + tmp_rawData = _impute_geno(tmp_rawData, idx) + + # remove SNPs that cannot pass MAF threshold + tmp_rawData = _filter_maf(tmp_rawData, args.maf, idx) + + # remove duplicates SNPs based on rsid even though we suggest users to do some QC on this + tmp_rawData = _remove_dup_geno(tmp_rawData, idx) + + # find overlap between GWAS snps and genotype snps + tmp_bim = ( + tmp_rawData.bim.reset_index(drop=True) + .reset_index() + .rename( + columns={ + "index": f"bimIDX_{idx + 1}", + "pos": f"pos_{idx + 1}", + "a0": f"a0_{idx + 1}", + "a1": f"a1_{idx + 1}", + } + ) + ) + + if df_gwas["snp"].isin(tmp_bim["snp"]).sum() == 0: + raise ValueError( + f"Ancestry {idx + 1}: No common SNPs between GWAS and genotype data. Check the source." + ) + + tmp_rawData = tmp_rawData._replace(bim=tmp_bim) + ld_geno_list.append(tmp_rawData) + + gwas_list.append(df_gwas) + + # find common snps across ancestries + if n_pop > 1: + snps_gwas = ( + gwas_list[0] + .merge(gwas_list[1], how="inner", on=["chrom", "snp"]) + .reset_index(drop=True) + ) + for idx in range(n_pop - 2): + snps_gwas = snps_gwas.merge( + gwas_list[idx + 2], how="inner", on=["chrom", "snp"] + ).reset_index(drop=True) + + if snps_gwas.shape[0] == 0: + raise ValueError( + "GWAS data have no common SNPs across ancestries. Check the source." + ) + + # report how many snps we removed due to independent SNPs + for idx in range(n_pop): + snps_num_diff = gwas_list[idx].shape[0] - snps_gwas.shape[0] + log.logger.debug( + f"Ancestry{idx + 1} has {snps_num_diff} independent SNPs and {snps_gwas.shape[0]}" + + " common SNPs. Inference only performs on common SNPs.", + ) + + if ld_file: + snps_ld = pd.DataFrame({"snps": ld_geno_list[0].columns}) + snps_ld = snps_ld[snps_ld.snps.isin(ld_geno_list[1].columns)] + + for idx in range(n_pop - 2): + snps_ld = snps_ld[snps_ld.snps.isin(ld_geno_list[idx + 2].columns)] + + if snps_ld.shape[0] == 0: + raise ValueError( + "LD data have no common SNPs across ancestries. Check the source." + ) + + for idx in range(n_pop): + snps_num_diff = ld_geno_list[idx].shape[0] - snps_ld.shape[0] + log.logger.debug( + f"Ancestry{idx + 1} has {snps_num_diff} independent SNPs and {snps_ld.shape[0]}" + + " common SNPs. Inference only performs on common SNPs.", + ) + else: + snps_bim = ( + ld_geno_list[0] + .bim.merge(ld_geno_list[1].bim, how="inner", on=["chrom", "snp"]) + .reset_index(drop=True) + ) + for idx in range(n_pop - 2): + snps_bim = snps_bim.merge( + ld_geno_list[idx + 2].bim, how="inner", on=["chrom", "snp"] + ).reset_index(drop=True) + + if snps_bim.shape[0] == 0: + raise ValueError( + "Genotype data have no common SNPs across ancestries. Check the source." + ) + + for idx in range(n_pop): + snps_num_diff = ld_geno_list[idx].bim.shape[0] - snps_bim.shape[0] + log.logger.debug( + f"Ancestry{idx + 1} has {snps_num_diff} independent SNPs and {snps_bim.shape[0]}" + + " common SNPs. Inference only performs on common SNPs.", + ) + else: + snps_gwas = gwas_list[0].reset_index(drop=True) + if ld_file: + snps_ld = pd.DataFrame({"snps": ld_geno_list[0].columns}) + else: + snps_bim = ld_geno_list[0].bim.reset_index(drop=True) + + # filter GWAS SNPs based on signficiant threshold + z_threshold = norm.ppf(1 - args.gwas_sig / 2) + # Select columns with names starting with "z_" + z_cols = snps_gwas.filter(regex="^z_") + old_num = snps_gwas.shape[0] + if args.gwas_sig_type == "at-least": + sel_snps = z_cols.abs().gt(z_threshold).any(axis=1) + else: + sel_snps = z_cols.abs().gt(z_threshold).all(axis=1) + + snps_gwas = snps_gwas[sel_snps].copy().reset_index(drop=True) + new_num = snps_gwas.shape[0] + + log.logger.debug( + f"Drop {old_num - new_num} SNPs with GWAS P value less than {args.gwas_sig}" + + f" based on {args.gwas_sig_type} method." + ) + + # remove non-biallelic SNPs across ancestries + if n_pop > 1: + for idx in range(1, n_pop): + _, _, remove_idx = _allele_check( + snps_gwas["a0_1"].values, + snps_gwas["a1_1"].values, + snps_gwas[f"a0_{idx + 1}"].values, + snps_gwas[f"a1_{idx + 1}"].values, + ) + + if len(remove_idx) != 0: + snps_gwas = snps_gwas.drop(index=remove_idx).reset_index(drop=True) + log.logger.debug( + f"Ancestry{idx + 1} GWAS has {len(remove_idx)} alleles that" + + "couldn't match to ancestry 1 and couldn't be flipped. Will remove these SNPs." + ) + + if snps_gwas.shape[0] == 0: + raise ValueError( + f"Ancestry {idx + 1} has none of correct or flippable SNPs matching to ancestry 1." + + "Check the source.", + ) + + if not ld_file: + _, _, remove_idx = _allele_check( + snps_bim["a0_1"].values, + snps_bim["a1_1"].values, + snps_bim[f"a0_{idx + 1}"].values, + snps_bim[f"a1_{idx + 1}"].values, + ) + + if len(remove_idx) != 0: + snps_bim = snps_bim.drop(index=remove_idx).reset_index(drop=True) + log.logger.debug( + f"Ancestry{idx + 1} Genotype data has {len(remove_idx)} alleles that" + + "couldn't match to ancestry 1 and couldn't be flipped. Will remove these SNPs." + ) + + if snps_bim.shape[0] == 0: + raise ValueError( + f"Ancestry {idx + 1} genotype data has none of correct or flippable SNPs matching" + + "to ancestry 1. Check the source." + ) + + # remove ambiguous SNPs (i.e., A/T, T/A, C/G, G/C pairs) in genotype data + if not args.keep_ambiguous: + ambiguous_snps = ["AT", "TA", "CG", "GC"] + if_ambig = (snps_gwas.a0_1 + snps_gwas.a1_1).isin(ambiguous_snps) + del_num = if_ambig.sum() + snps_gwas = snps_gwas[~if_ambig].reset_index(drop=True) + + if snps_gwas.shape[0] == 0: + raise ValueError( + "All SNPs are ambiguous in genotype data. Check the source." + ) + + if del_num != 0: + log.logger.debug(f"Drop {del_num} ambiguous SNPs in genotype data.") + + # find flipped reference alleles across ancestries + if n_pop > 1: + for idx in range(1, n_pop): + _, tmp_flip_idx, _ = _allele_check( + snps_gwas["a0_1"].values, + snps_gwas["a1_1"].values, + snps_gwas[f"a0_{idx + 1}"].values, + snps_gwas[f"a1_{idx + 1}"].values, + ) + + if len(tmp_flip_idx) != 0: + log.logger.debug( + f"Ancestry{idx + 1} has {len(tmp_flip_idx)} flipped alleles in GWAS from ancestry 1." + + " Will flip these SNPs." + ) + + snps_gwas.loc[tmp_flip_idx, f"z_{idx + 1}"] *= -1 + + # drop unused columns + snps_gwas = snps_gwas.drop( + columns=[f"a0_{idx + 1}", f"a1_{idx + 1}", f"pos_{idx + 1}"] + ) + + if not ld_file: + _, tmp_flip_idx, _ = _allele_check( + snps_bim["a0_1"].values, + snps_bim["a1_1"].values, + snps_bim[f"a0_{idx + 1}"].values, + snps_bim[f"a1_{idx + 1}"].values, + ) + + if len(tmp_flip_idx) != 0: + log.logger.debug( + f"Ancestry{idx + 1} has {len(tmp_flip_idx)} flipped alleles in genotype from ancestry 1." + + " Will flip these SNPs." + ) + + _, _, tmp_geno, _, _ = ld_geno_list[idx] + + common_snp_id = snps_bim[f"bimIDX_{idx + 1}"].values + tmp_geno = tmp_geno[:, common_snp_id] + + # flip genotypes for bed files starting second ancestry + # flip index is the positional index based on snps data frame, so we have to subset genotype + # data based on the common snps (i.e., snps data frame). + if len(tmp_flip_idx) != 0: + tmp_geno[:, tmp_flip_idx] = 2 - tmp_geno[:, tmp_flip_idx] + + ld_geno_list[idx] = ld_geno_list[idx]._replace(bed=tmp_geno) + + # drop unused columns + snps_bim = snps_bim.drop( + columns=[ + f"a0_{idx + 1}", + f"a1_{idx + 1}", + f"pos_{idx + 1}", + f"bimIDX_{idx + 1}", + ] + ) + + snps_gwas = snps_gwas.rename(columns={"pos_1": "pos", "a0_1": "a0", "a1_1": "a1"}) + + if not ld_file: + # in the above codes, we only subset for idx = 1 to n_pop, but we haven't subset for idx = 0 + _, _, tmp_geno, _, _ = ld_geno_list[0] + common_snp_id = snps_bim["bimIDX_1"].values + tmp_geno = tmp_geno[:, common_snp_id] + ld_geno_list[0] = ld_geno_list[0]._replace(bed=tmp_geno) + snps_bim = snps_bim.rename(columns={"pos_1": "pos", "a0_1": "a0", "a1_1": "a1"}) + snps_bim = snps_bim.drop(columns=["bimIDX_1"]) + + # merge gwas with LD or bim data + gwas_list = [] + ld_list = [] + if ld_file: + # users have to ensure that the counting allele is the same across GWAS and LD data + overlap_snps = snps_gwas["snp"][snps_gwas["snp"].isin(snps_ld.snps)] + + if overlap_snps.shape[0] == 0: + raise ValueError( + "No common SNPs between GWAS and LD data. Check the source." + ) + + df_gwas = ( + snps_gwas.set_index("snp", drop=False) + .loc[overlap_snps] + .reset_index(drop=True) + ) + for idx in range(n_pop): + gwas_list.append(jnp.array(df_gwas[f"z_{idx + 1}"].values)) + tmp_ld = ld_geno_list[idx] + tmp_ld = tmp_ld.loc[overlap_snps, overlap_snps] + if (tmp_ld.values == tmp_ld.values.T).all(): + ld_list.append(jnp.array(tmp_ld)) + else: + raise ValueError( + f"Ancestry {idx + 1}: The LD matrix becomes asymmetric during QC. Contact devleoper." + ) + else: + snps_bim = snps_bim.rename(columns={"a0": "a0_bim", "a1": "a1_bim"}) + + # merge between GWAS and bim files + all_snps = snps_gwas.merge( + snps_bim[["chrom", "snp", "a0_bim", "a1_bim"]], + how="inner", + on=["chrom", "snp"], + ).reset_index(drop=True) + + _, _, tmp_wrong_idx = _allele_check( + all_snps["a0"].values, + all_snps["a1"].values, + all_snps["a0_bim"].values, + all_snps["a1_bim"].values, + ) + + if len(tmp_wrong_idx) != 0: + all_snps = all_snps.drop(index=tmp_wrong_idx).reset_index(drop=True) + log.logger.debug( + f"Drop {len(tmp_wrong_idx)} SNPs with wrong alleles between GWAS and genotype data." + ) + + overlap_snps = all_snps["snp"] + + if overlap_snps.shape[0] == 0: + raise ValueError( + "No common SNPs between GWAS and genotype data. Check the source." + ) + + # re-order bim files based on the order of all_snps + snps_bim = ( + snps_bim.reset_index(names="SNPIndex") + .set_index("snp", drop=False) + .loc[overlap_snps] + .reset_index(drop=True) + ) + + # here it's just easier to flip GWAS z scores + _, tmp_flip_idx, _ = _allele_check( + all_snps["a0_bim"].values, + all_snps["a1_bim"].values, + all_snps["a0"].values, + all_snps["a1"].values, + ) + + if len(tmp_flip_idx) != 0: + for idx in range(n_pop): + all_snps.loc[tmp_flip_idx, f"z_{idx + 1}"] *= -1 + log.logger.debug( + f"Flip {len(tmp_flip_idx)} SNPs alleles in GWAS data to match genotype data." + ) + + df_gwas = all_snps.drop(columns=["a0", "a1"]).rename( + columns={"a0_bim": "a0", "a1_bim": "a1"} + )[ + ["chrom", "snp", "pos", "a0", "a1"] + + [f"z_{idx + 1}" for idx in range(n_pop)] + ] + + for idx in range(n_pop): + + gwas_list.append(jnp.array(df_gwas[f"z_{idx + 1}"].values)) + _, _, tmp_geno, _, _ = ld_geno_list[idx] + tmp_geno = tmp_geno[:, snps_bim["SNPIndex"].values] + tmp_geno -= tmp_geno.mean(axis=0) + tmp_geno /= tmp_geno.std(axis=0) + tmp_ld = tmp_geno.T @ tmp_geno / tmp_geno.shape[0] + tmp_ld = tmp_ld + jnp.eye(tmp_ld.shape[0]) * args.ld_adjust + ld_list.append(tmp_ld) + + snps = ( + df_gwas[["chrom", "snp", "pos", "a0", "a1"]] + .reset_index(drop=True) + .reset_index(names="SNPIndex") + .copy() + ) + + if pi.shape[0] != 0: + # append prior weights to the snps + snps = pd.merge(snps, pi, how="left", on="snp") + nan_count = snps["pi"].isna().sum() + if nan_count > 0: + log.logger.debug( + f"{nan_count} SNP(s) have missing prior weights. Will replace them with the mean value of the rest." + ) + # if the column pi has nan value, replace it with the mean value of the rest of the column + snps["pi"] = snps["pi"].fillna(snps["pi"].mean()) + pi = jnp.array(snps["pi"].values) + else: + snps["pi"] = jnp.ones(snps.shape[0]) / float(snps.shape[0]) + pi = None + + regular_data = io.ssData( + zs=gwas_list, lds=ld_list, ns=jnp.array(args.sample_size)[:, jnp.newaxis], pi=pi + ) + + name_ancestry = "ancestry" if n_pop == 1 else "ancestries" + + log.logger.info( + f"Prepare {snps.shape[0]} SNPs from {n_pop} {name_ancestry} after" + + " data cleaning. Specify --verbose for details.", + ) + + return snps, regular_data def sushie_wrapper( @@ -1539,6 +1728,137 @@ def sushie_wrapper( return None +def sushie_wrapper_ss( + data: io.ssData, + args: argparse.Namespace, + snps: pd.DataFrame, + meta: bool = False, +) -> None: + """The wrapper function to run SuShiE in regular, meta, or mega. + + Args: + data: The clean summary data for SuShiE inference. + args: The command line parameter input. + snps: The SNP information. + meta: The indicator whether to prepare datasets for meta SuShiE. + + """ + + n_pop = len(data.lds) + + if meta: + output = f"{args.output}.meta" + method_type = "meta" + else: + output = f"{args.output}.sushie" + method_type = "sushie" + + # keeps track of single-ancestry PIP to get meta-PIP + pips_all = [] + pips_cs = [] + result = [] + if meta: + # if this is meta, run it ancestry by ancestry + for idx in range(n_pop): + if args.resid_var is None: + resid_var = None + else: + resid_var = [args.resid_var[idx]] + + if args.effect_var is None: + effect_var = None + else: + effect_var = [args.effect_var[idx]] + + log.logger.info( + f"Start fine-mapping using SuSiE on ancestry {idx + 1} with {args.L} effects" + + " because --meta is specified." + ) + + tmp_result = infer_ss.infer_sushie_ss( + lds=[data.lds[idx]], + ns=data.ns[idx][:, jnp.newaxis], + zs=[data.zs[idx]], + L=args.L, + no_update=args.no_update, + pi=data.pi, + resid_var=resid_var, + effect_var=effect_var, + rho=None, + max_iter=args.max_iter, + min_tol=args.min_tol, + threshold=args.threshold, + purity=args.purity, + purity_method=args.purity_method, + max_select=args.max_select, + min_snps=args.min_snps, + no_reorder=args.no_reorder, + seed=args.seed, + ) + pips_all.append(tmp_result.pip_all[:, jnp.newaxis]) + pips_cs.append(tmp_result.pip_cs[:, jnp.newaxis]) + result.append(tmp_result) + + pips_all = utils.make_pip(jnp.concatenate(pips_all, axis=1).T) + pips_cs = utils.make_pip(jnp.concatenate(pips_cs, axis=1).T) + else: + log.logger.info(f"Start fine-mapping using SuShiE with {args.L} effects.") + tmp_result = infer_ss.infer_sushie_ss( + lds=data.lds, + ns=data.ns, + zs=data.zs, + L=args.L, + no_update=args.no_update, + pi=data.pi, + resid_var=args.resid_var, + effect_var=args.effect_var, + rho=args.rho, + max_iter=args.max_iter, + min_tol=args.min_tol, + threshold=args.threshold, + purity=args.purity, + purity_method=args.purity_method, + max_select=args.max_select, + min_snps=args.min_snps, + no_reorder=args.no_reorder, + seed=args.seed, + ) + result.append(tmp_result) + + pips = [pips_all, pips_cs] if meta else None + + io.output_cs(result, pips, snps, output, args.trait, args.compress, method_type) + io.output_weights( + result, pips, snps, output, args.trait, args.compress, method_type + ) + + if args.numpy: + log.logger.info( + "Save all the inference results in numpy file because --numpy is specified " + ) + io.output_numpy(result, snps, output) + + if args.alphas: + log.logger.info( + "Save all credible set results before pruning as --alphas is specified " + ) + + io.output_alphas( + result, + snps, + output, + args.trait, + args.compress, + method_type, + args.purity, + ) + + if not meta: + io.output_corr(result, output, args.trait, args.compress) + + return None + + def run_finemap(args): """The umbrella function to run SuShiE. @@ -1556,24 +1876,24 @@ def run_finemap(args): if args.summary is True: log.logger.info("Start fine-mapping using SuShiE on summary-level data.") - # n_pop, pi, geno_path, geno_func, if_ld = parameter_check_ss(args) + n_pop, pi, geno_path, geno_func, ld_file = parameter_check_ss(args) - # # snps, ss_data = process_raw_ss( - # # geno_path, - # # geno_func, - # # if_ld, - # # pi, - # # args, - # # ) + snps, ss_data = process_raw_ss( + geno_path, + geno_func, + ld_file, + pi, + args, + ) - # normal_data = copy.deepcopy(ss_data) - # sushie_wrapper(normal_data, args, snps, meta=False) + normal_data = copy.deepcopy(ss_data) + sushie_wrapper_ss(normal_data, args, snps, meta=False) - # # if only one ancestry, no need to run mega or meta - # if n_pop != 1: - # if args.meta: - # meta_data = copy.deepcopy(ss_data) - # sushie_wrapper(meta_data, None, args, snps, meta=True) + # if only one ancestry, no need to run mega or meta + if n_pop != 1: + if args.meta: + meta_data = copy.deepcopy(ss_data) + sushie_wrapper_ss(meta_data, args, snps, meta=True) else: log.logger.info("Start fine-mapping using SuShiE on individual-level data.") @@ -1654,7 +1974,7 @@ def build_finemap_parser(subp): finemap.add_argument( "--summary", - type=bool, + action="store_true", default=False, help=( "Indicator whether to run fine-mapping on summary statistics.", @@ -1688,6 +2008,7 @@ def build_finemap_parser(subp): "GWAS data. It has to be a tsv file that contains at least six columns.", " The six columns are chromsome number, SNP ID, base-pair position, counting allele,", " non-counting allele, and the z-score. Users can can specify column names using --gwas-header.", + " The chromsome number needs to be integer number instead of 'chr1' or 'chrom1'.", " By default, the software assumes the header names are 'chrom', 'snp', 'pos', 'a1', 'a0', 'z'.", " It can be a compressed file (e.g., tsv.gz).", " It is okay to have additional columns, but only the mentioned columns will be used." @@ -1790,17 +2111,6 @@ def build_finemap_parser(subp): ), ) - finemap.add_argument( - "--gwas-header", - nargs="+", - default=["chrom", "snp", "pos", "a1", "a0", "z"], - type=str, - help=( - "GWAS file header names. Default is ['chrom', 'snp', 'pos', 'a1', 'a0', 'z'].", - " Users can specify the header names for the GWAS data in this order.", - ), - ) - finemap.add_argument( "--ld", nargs="+", @@ -1808,7 +2118,7 @@ def build_finemap_parser(subp): type=str, help=( "LD files that will be used in the fine-mapping. Default is None." - " Keep the same ancestry order as phenotype's.", + " Keep the same ancestry order as GWAS files.", " It has to be a tsv or comparessed file (e.g., tsv.gz).", " The header has to be the SNP name matching the GWAS data in --gwas", " It can have less or more SNPs than the GWAS data,", @@ -1833,7 +2143,7 @@ def build_finemap_parser(subp): default=None, type=int, help=( - "Base-pair position to subset GWAS SNPs in the fine-mapping. Default is None." + "Base-pair start position to subset GWAS SNPs in the fine-mapping. Default is None." " Value has to be a positive integer number.", ), ) @@ -1843,7 +2153,7 @@ def build_finemap_parser(subp): default=None, type=int, help=( - "Base-pair position to subset GWAS SNPs in the fine-mapping. Default is None." + "Base-pair end position to subset GWAS SNPs in the fine-mapping. Default is None." " Value has to be a positive integer number and larger than --start.", ), ) @@ -1856,6 +2166,42 @@ def build_finemap_parser(subp): help=( "GWAS sample size of each ancestry. Default is None." " Values have to be positive integer. Use 'space' to separate ancestries if more than two.", + " The order has to be the same as the GWAS data in --gwas.", + ), + ) + + finemap.add_argument( + "--gwas-header", + nargs="+", + default=["chrom", "snp", "pos", "a1", "a0", "z"], + type=str, + help=( + "GWAS file header names. Default is ['chrom', 'snp', 'pos', 'a1', 'a0', 'z'].", + " Users can specify the header names for the GWAS data in this order.", + ), + ) + + finemap.add_argument( + "--gwas-sig", + default=1.0, + type=float, + help=( + "The significance threshold for SNPs to be included in the fine-mapping.", + " Default is 1.0. Only SNPs with P value less than this threshold will be included.", + " It has to be a float number between 0 and 1.", + ), + ) + + finemap.add_argument( + "--gwas-sig-type", + default="at-least", + choices=["at-least", "all"], + help=( + "The cases how to include significant SNPs in the fine-mapping across ancestries.", + " If it is 'at-least', the software will include SNPs that are significant in at least one ancestry.", + " If it is 'all', the software will include SNPs that are significant in all ancestries.", + " Default is 'at-least'.", + " The significant threshold is specified by --gwas-sig.", ), ) @@ -2033,7 +2379,7 @@ def build_finemap_parser(subp): type=float, help=( "The adjusting number to LD diagonal to ensure the positive definiteness.", - " It has to be positive integer number between 0 and 0.1", + " It has to be positive integer number between 0 and 0.1. Default is 0.", ), ) @@ -2289,6 +2635,7 @@ def _get_command_string(args): "--alphas", "--rint", "--keep-ambiguous", + "--summary", ]: rest_strs.append(f"\t{cmd}{os.linesep}") needs_tab = True diff --git a/sushie/infer.py b/sushie/infer.py index 89392b9..bec82ad 100644 --- a/sushie/infer.py +++ b/sushie/infer.py @@ -271,7 +271,11 @@ def infer_sushie( "The maximum selected number of SNPs is too small thus may miss true positives. Choose a positive integer." ) - if pi is not None: + _, n_snps = Xs[0].shape + + if pi is None: + pi = jnp.ones(n_snps) / float(n_snps) + else: if not (pi > 0).all(): raise ValueError( "Prior probability/weights contain negative value. Specify a valid pi prior." @@ -284,9 +288,9 @@ def infer_sushie( if jnp.sum(pi) > 1: log.logger.debug( - "Prior probability/weights sum to more than 1. Will normalize to sum to 1." + "Prior probability/weights sum is not equal to 1. Will normalize to sum to 1." ) - pi = float(pi / jnp.sum(pi)) + pi = pi.astype(float) / jnp.sum(pi) # first regress out covariates if there are any, then scale the genotype and phenotype if covar is not None: @@ -321,8 +325,6 @@ def infer_sushie( f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." ) - _, n_snps = Xs[0].shape - if min_snps < L: raise ValueError( f"The number of minimum common SNPs across ancestries ({min_snps}) is less than inferred L ({L})." @@ -422,7 +424,7 @@ def infer_sushie( priors = Prior( # p x 1 - pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, + pi=pi, # k x 1 resid_var=jnp.array(resid_var)[:, jnp.newaxis], # l x k x k diff --git a/sushie/infer_ss.py b/sushie/infer_ss.py index 1df38c9..d49a2fa 100644 --- a/sushie/infer_ss.py +++ b/sushie/infer_ss.py @@ -140,7 +140,11 @@ def infer_sushie_ss( "The maximum selected number of SNPs is too small thus may miss true positives. Choose a positive integer." ) - if pi is not None: + n_snps = lds[0].shape[0] + + if pi is None: + pi = jnp.ones(n_snps) / float(n_snps) + else: if not (pi > 0).all(): raise ValueError( "Prior probability/weights contain negative value. Specify a valid pi prior." @@ -151,13 +155,11 @@ def infer_sushie_ss( f"Prior probability/weights ({pi.shape[0]}) does not match the number of SNPs ({lds[0].shape[1]})." ) - if jnp.sum(pi) > 1: + if jnp.sum(pi) != 1: log.logger.debug( - "Prior probability/weights sum to more than 1. Will normalize to sum to 1." + "Prior probability/weights sum is not equal to 1. Will normalize to sum to 1." ) - pi = float(pi / jnp.sum(pi)) - - # first regress out covariates if there are any, then scale the genotype and phenotype + pi = pi.astype(float) / jnp.sum(pi) if resid_var is None: resid_var = [] @@ -174,8 +176,6 @@ def infer_sushie_ss( f"The input of residual prior ({resid_var}) is invalid (<0). Check your input." ) - n_snps = lds[0].shape[0] - if min_snps < L: raise ValueError( f"The number of minimum common SNPs across ancestries ({min_snps}) is less than inferred L ({L})." @@ -275,7 +275,7 @@ def infer_sushie_ss( priors = infer.Prior( # p x 1 - pi=jnp.ones(n_snps) / float(n_snps) if pi is None else pi, + pi=pi, # k x 1 resid_var=jnp.array(resid_var)[:, jnp.newaxis], # l x k x k @@ -299,6 +299,8 @@ def infer_sushie_ss( opt_v_func = infer._EMOptFunc() if not no_update else infer._NoopOptFunc() # get XtXs and Xtys + zs = jnp.array(zs) + lds = jnp.array(lds) sigma2 = ns / (ns + zs ** 2) Xtys = jnp.sqrt(ns) * jnp.sqrt(sigma2) * zs XtXs = ns[:, :, jnp.newaxis] * lds diff --git a/sushie/io.py b/sushie/io.py index 79c5991..4be1201 100644 --- a/sushie/io.py +++ b/sushie/io.py @@ -80,9 +80,9 @@ class ssData(NamedTuple): """ - gwas: List[Array] + zs: List[Array] lds: List[Array] - ssize: List[int] + ns: Array pi: utils.ListArrayOrNone @@ -285,7 +285,11 @@ def read_bgen(path: str) -> Tuple[pd.DataFrame, pd.DataFrame, Array]: def read_gwas( - path: str, header: List[str], chrom: int, start: int, end: int + path: str, + header: List[str], + chrom: utils.IntOrNone, + start: utils.IntOrNone, + end: utils.IntOrNone, ) -> pd.DataFrame: """Read in GWAS data in tsv file. @@ -322,10 +326,19 @@ def read_gwas( .dropna(inplace=False) ) - df_gwas[["chr"]] = df_gwas[["chr"]].astype(int) - df_gwas = df_gwas[df_gwas.chr == chrom] - df_gwas = df_gwas[df_gwas.pos >= start] - df_gwas = df_gwas[df_gwas.pos <= end].copy().reset_index(drop=True) + df_gwas[["chrom"]] = df_gwas[["chrom"]].astype(int) + df_gwas[["pos"]] = df_gwas[["pos"]].astype(int) + + if chrom is not None: + df_gwas = df_gwas[df_gwas.chrom == chrom] + + if start is not None: + df_gwas = df_gwas[df_gwas.pos >= start] + + if end is not None: + df_gwas = df_gwas[df_gwas.pos <= end] + + df_gwas = df_gwas.copy().reset_index(drop=True) return df_gwas @@ -347,6 +360,7 @@ def read_ld(path: str) -> Array: cols_to_drop = ld.columns[ld.isna().any(axis=0)] ld = ld.drop(rows_to_drop).drop(cols_to_drop, axis=1) + ld.index = ld.columns return ld diff --git a/sushie/utils.py b/sushie/utils.py index 739858f..97aff1d 100644 --- a/sushie/utils.py +++ b/sushie/utils.py @@ -14,6 +14,7 @@ "make_pip", "rint", "ListFloatOrNone", + "IntOrNone", "ols", "estimate_her", "regress_covar", @@ -29,6 +30,8 @@ ListStrOrNone = Optional[List[str]] # covar raw data PDOrNone = Optional[pd.DataFrame] +# int or none +IntOrNone = Optional[int] def make_pip(alpha: ArrayLike) -> Array: From cf23d72ad34ae01f023bd1ea491369ccabccdf60 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Thu, 24 Oct 2024 22:22:03 -0700 Subject: [PATCH 13/14] fix typo --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 89929a2..2d96631 100644 --- a/README.md +++ b/README.md @@ -58,7 +58,7 @@ sushie finemap --pheno EUR.pheno AFR.pheno --vcf vcf/EUR.vcf vcf/AFR.vcf --covar For fine-mapping using summary-level data: ``` bash cd ./data/ -sushie finemap --summaary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf vcf/AFR.vcf --sample-size 489 639 --gwas-header chrom snp pos a1 a0 zs --output ./test_result +sushie finemap --summary --gwas EUR.gwas AFR.gwas --vcf vcf/EUR.vcf vcf/AFR.vcf --sample-size 489 639 --gwas-header chrom snp pos a1 a0 zs --output ./test_result ``` It can perform: From 3b212a1cd0639e3c28433241b8faeabaa704b876 Mon Sep 17 00:00:00 2001 From: Zeyun Date: Sun, 27 Oct 2024 15:58:14 -0700 Subject: [PATCH 14/14] fix typos --- README.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 2d96631..6f297c0 100644 --- a/README.md +++ b/README.md @@ -89,9 +89,9 @@ from sushie.infer import infer_sushie # Xs is for genotype data, and it should be a list of numpy array whose length is the number of ancestry. # ys is for phenotype data, and it should also be a list of numpy array whose length is the number of ancestry. infer_sushie(Xs=X, ys=y) -# Or individual-level data -# LD is for LD data, and it should be a list of p by p numpy array whose length is the number of ancestry. -# GWAS is for GWAS data, and it should be a list of numpy array whose length is the number of ancestry/ +# Or summary-level data +# lds is for LD data, and it should be a list of p by p numpy array whose length is the number of ancestry. +# zs is for GWAS data, and it should be a list of numpy array whose length is the number of ancestry/ infer_sushie_ss(lds=LD, zs=GWAS, ns=np.array([100, 100])) ```