DAG-VAERL: a novel causal inference method for building causal gene regulatory networks.
The 5 matches
- [1] § Experiments › Synthetic datasets ↔ utils.py, lines 53–98 · score 0.74 · linear exp, linear gumbel, linear gauss, Exponential, Noise, sem
- [2] § Method › Reinforcement learning formulation and policy network › Training and optimization process ↔ rl_training.py, lines 14–95 · score 0.56 · Smooth L1 loss, policy, training, probabilities, optimized
- [3] § Experiments ↔ visualization.py, lines 128–153 · score 0.55 · evaluation metrics, F1 score, Recall, Precision, DAG
- [4] § Experiments › Synthetic datasets ↔ utils.py, lines 53–98 · score 0.55 · noise_scale, x_dims, simulating, sem
- [5] § Method › Reinforcement learning formulation and policy network ↔ network.py, lines 180–237 · score 0.53 · RLDAGPolicy, edge probabilities, module, weights, network
Paper
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The authors' code
Python · 493 lines · 16 KB · no license · 2 matches
- import numpy as np
- import torch
- from torch.utils.data.dataset import TensorDataset
- from torch.utils.data import DataLoader
- import torch.nn.functional as F
- import torch.nn as nn
- from torch.autograd import Variable
- import scipy.linalg as slin
- import scipy.sparse as sp
- import networkx as nx
- import pandas as pd
- import os
- import glob
- import re
- import pickle
- import math
- from torch.optim.adam import Adam
- ---------
- def simulate_random_dag(d: int,
- degree: float,
- graph_type: str,
- w_range: tuple = (0.5, 2.0)) -> nx.DiGraph:
- if graph_type == 'erdos-renyi':
- prob = float(degree) / (d - 1)
- B = np.tril((np.random.rand(d, d) < prob).astype(float), k=-1)
- elif graph_type == 'barabasi-albert':
- m = int(round(degree / 2))
- B = np.zeros([d, d])
- bag = [0]
- for ii in range(1, d):
- dest = np.random.choice(bag, size=m)
- for jj in dest:
- B[ii, jj] = 1
- bag.append(ii)
- bag.extend(dest)
- elif graph_type == 'full':
- B = np.tril(np.ones([d, d]), k=-1)
- else:
- raise ValueError('unknown graph type')
- P = np.random.permutation(np.eye(d, d))
- B_perm = P.T.dot(B).dot(P)
- U = np.random.uniform(low=w_range[0], high=w_range[1], size=[d, d])
- U[np.random.rand(d, d) < 0.5] *= -1
- W = (B_perm != 0).astype(float) * U
- G = nx.DiGraph(W)
- return G
- def simulate_sem(G: nx.DiGraph,
- n: int, x_dims: int,
- sem_type: str,
- linear_type: str,
- noise_scale: float = 1.0) -> np.ndarray:
- W = nx.to_numpy_array(G)
- d = W.shape[0]
- X = np.zeros([n, d, x_dims])
- ordered_vertices = list(nx.topological_sort(G))
- assert len(ordered_vertices) == d
- for j in ordered_vertices:
- parents = list(G.predecessors(j))
- if linear_type == 'linear':
- eta = X[:, parents, 0].dot(W[parents, j])
- elif linear_type == 'nonlinear_1':
- eta = np.cos(X[:, parents, 0] + 1).dot(W[parents, j])
- elif linear_type == 'nonlinear_2':
- eta = (X[:, parents, 0] + 0.5).dot(W[parents, j])
- else:
- raise ValueError('unknown linear data type')
- if sem_type == 'linear-gauss':
- if linear_type == 'linear':
- X[:, j, 0] = eta + np.random.normal(scale=noise_scale, size=n)
- elif linear_type == 'nonlinear_1':
- X[:, j, 0] = eta + np.random.normal(scale=noise_scale, size=n)
- elif linear_type == 'nonlinear_2':
- X[:, j, 0] = 2. * np.sin(eta) + eta + np.random.normal(scale=noise_scale, size=n)
- elif sem_type == 'linear-exp':
- X[:, j, 0] = eta + np.random.exponential(scale=noise_scale, size=n)
- elif sem_type == 'linear-gumbel':
- X[:, j, 0] = eta + np.random.gumbel(scale=noise_scale, size=n)
- else:
- raise ValueError('unknown sem type')
- if x_dims > 1:
- for i in range(x_dims - 1):
- X[:, :, i+1] = (np.random.normal(scale=noise_scale, size=1) * X[:, :, 0]
- + np.random.normal(scale=noise_scale, size=1)
- + np.random.normal(scale=noise_scale, size=(n, d)))
- X[:, :, 0] = (np.random.normal(scale=noise_scale, size=1) * X[:, :, 0]
- + np.random.normal(scale=noise_scale, size=1)
- + np.random.normal(scale=noise_scale, size=(n, d)))
- return X
- def simulate_population_sample(W: np.ndarray,
- Omega: np.ndarray) -> np.ndarray:
- d = W.shape[0]
- X = np.sqrt(d) * slin.sqrtm(Omega).dot(np.linalg.pinv(np.eye(d) - W))
- return X
- def count_accuracy(G_true: nx.DiGraph,
- G: nx.DiGraph,
- G_und: nx.DiGraph = None) -> tuple:
- B_true = nx.to_numpy_array(G_true) != 0
- B = nx.to_numpy_array(G) != 0
- B_und = None if G_und is None else nx.to_numpy_array(G_und)
- d = B.shape[0]
- if B_und is not None:
- pred_und = np.flatnonzero(B_und)
- pred = np.flatnonzero(B)
- cond = np.flatnonzero(B_true)
- cond_reversed = np.flatnonzero(B_true.T)
- cond_skeleton = np.concatenate([cond, cond_reversed])
- true_pos = np.intersect1d(pred, cond, assume_unique=True)
- if B_und is not None:
- true_pos_und = np.intersect1d(pred_und, cond_skeleton, assume_unique=True)
- true_pos = np.concatenate([true_pos, true_pos_und])
- false_pos = np.setdiff1d(pred, cond_skeleton, assume_unique=True)
- if B_und is not None:
- false_pos_und = np.setdiff1d(pred_und, cond_skeleton, assume_unique=True)
- false_pos = np.concatenate([false_pos, false_pos_und])
- extra = np.setdiff1d(pred, cond, assume_unique=True)
- reverse = np.intersect1d(extra, cond_reversed, assume_unique=True)
- pred_size = len(pred)
- if B_und is not None:
- pred_size += len(pred_und)
- cond_neg_size = 0.5 * d * (d - 1) - len(cond)
- fdr = float(len(reverse) + len(false_pos)) / max(pred_size, 1)
- tpr = float(len(true_pos)) / max(len(cond), 1)
- fpr = float(len(reverse) + len(false_pos)) / max(cond_neg_size, 1)
- B_lower = np.tril(B + B.T)
- if B_und is not None:
- B_lower += np.tril(B_und + B_und.T)
- pred_lower = np.flatnonzero(B_lower)
- cond_lower = np.flatnonzero(np.tril(B_true + B_true.T))
- extra_lower = np.setdiff1d(pred_lower, cond_lower, assume_unique=True)
- missing_lower = np.setdiff1d(cond_lower, pred_lower, assume_unique=True)
- shd = len(extra_lower) + len(missing_lower) + len(reverse)
- return fdr, tpr, fpr, shd, pred_size
- def read_BNrep(args):
- """load results from BN repository"""
- if args.data_filename == 'alarm':
- data_dir = os.path.join(args.data_dir, 'alarm/')
- elif args.data_filename == 'child':
- data_dir = os.path.join(args.data_dir, 'child/')
- elif args.data_filename == 'hail':
- data_dir = os.path.join(args.data_dir, 'hail/')
- elif args.data_filename == 'alarm10':
- data_dir = os.path.join(args.data_dir, 'alarm10/')
- elif args.data_filename == 'child10':
- data_dir = os.path.join(args.data_dir, 'child10/')
- elif args.data_filename == 'pigs':
- data_dir = os.path.join(args.data_dir, 'pigs/')
- else:
- raise ValueError("Unknown data_filename for BN repository")
- all_data = dict()
- file_pattern = data_dir + "*_s*_v*.txt"
- all_files = glob.iglob(file_pattern)
- for file in all_files:
- match = re.search(r'/([\w]+)_s([\w]+)_v([\w]+).txt', file)
- dataset, samplesN, version = match.group(1), match.group(2), match.group(3)
- data = np.loadtxt(file, skiprows=0, dtype=np.int32)
- if samplesN not in all_data:
- all_data[samplesN] = dict()
- all_data[samplesN][version] = data
- file_pattern = data_dir + "*_graph.txt"
- files = glob.iglob(file_pattern)
- graph = None
- for f in files:
- graph_data = np.loadtxt(f, skiprows=0, dtype=np.int32)
- graph = graph_data
- return all_data, graph
- def load_data(args, batch_size=1000, suffix='', debug=False):
- n, d = args.data_sample_size, args.data_variable_size
- graph_type = args.graph_type
- degree = args.graph_degree
- sem_type = args.graph_sem_type
- linear_type = args.graph_linear_type
- x_dims = args.x_dims
- if args.data_type == 'synthetic':
- # generate data
- G = simulate_random_dag(d, degree, graph_type)
- X = simulate_sem(G, n, x_dims, sem_type, linear_type)
- elif args.data_type == 'discrete':
- if args.data_filename.endswith('.pkl'):
- with open(os.path.join(args.data_dir, args.data_filename), 'rb') as handle:
- X = pickle.load(handle)
- G = None
- else:
- all_data, graph = read_BNrep(args)
- G = nx.DiGraph(graph)
- X = all_data['1000']['1']
- else:
- raise ValueError("Unknown data_type, must be 'synthetic' or 'discrete'")
- feat_train = torch.FloatTensor(X)
- feat_valid = torch.FloatTensor(X)
- feat_test = torch.FloatTensor(X)
- train_data = TensorDataset(feat_train, feat_train)
- valid_data = TensorDataset(feat_valid, feat_train)
- test_data = TensorDataset(feat_test, feat_train)
- train_data_loader = DataLoader(train_data, batch_size=batch_size)
- valid_data_loader = DataLoader(valid_data, batch_size=batch_size)
- test_data_loader = DataLoader(test_data, batch_size=batch_size)
- return train_data_loader, valid_data_loader, test_data_loader, G
- def encode_onehot(labels):
- classes = set(labels)
- classes_dict = {c: np.identity(len(classes))[i, :] for i, c in enumerate(classes)}
- labels_onehot = np.array(list(map(classes_dict.get, labels)), dtype=np.int32)
- return labels_onehot
- def my_softmax(input, axis=1):
- trans_input = input.transpose(axis, 0).contiguous()
- soft_max_1d = F.softmax(trans_input, dim=0)
- return soft_max_1d.transpose(axis, 0)
- def binary_concrete(logits, tau=1, hard=False, eps=1e-10):
- y_soft = binary_concrete_sample(logits, tau=tau, eps=eps)
- if hard:
- y_hard = (y_soft > 0.5).float()
- y = Variable(y_hard.data - y_soft.data) + y_soft
- else:
- y = y_soft
- return y
- def binary_concrete_sample(logits, tau=1, eps=1e-10):
- logistic_noise = sample_logistic(logits.size(), eps=eps)
- if logits.is_cuda:
- logistic_noise = logistic_noise.cuda()
- y = logits + Variable(logistic_noise)
- return torch.sigmoid(y / tau)
- def sample_logistic(shape, eps=1e-10):
- uniform = torch.rand(shape).float()
- return torch.log(uniform + eps) - torch.log(1 - uniform + eps)
- def sample_gumbel(shape, eps=1e-10):
- U = torch.rand(shape).float()
- return - torch.log(eps - torch.log(U + eps))
- def gumbel_softmax_sample(logits, tau=1, eps=1e-10):
- gumbel_noise = sample_gumbel(logits.size(), eps=eps).double()
- if logits.is_cuda:
- gumbel_noise = gumbel_noise.cuda()
- y = logits + Variable(gumbel_noise)
- return my_softmax(y / tau, axis=-1)
- def gumbel_softmax(logits, tau=1, hard=False, eps=1e-10):
- y_soft = gumbel_softmax_sample(logits, tau=tau, eps=eps)
- if hard:
- shape = logits.size()
- _, k = y_soft.data.max(-1)
- y_hard = torch.zeros(*shape, dtype=torch.double, device=logits.device)
- y_hard.scatter_(-1, k.view(shape[:-1] + (1,)), 1.0)
- y = Variable(y_hard - y_soft.data) + y_soft
- else:
- y = y_soft
- return y
- def gauss_sample_z(logits, zsize):
- U = torch.randn(logits.size(0), zsize).double()
- x = torch.zeros(logits.size(0), 1, zsize).double()
- for j in range(logits.size(0)):
- x[j, 0, :] = U[j, :] * torch.exp(logits[j, 0, zsize:2*zsize]) + logits[j, 0, 0:zsize]
- return x
- def gauss_sample_z_new(logits, zsize):
- U = torch.randn(logits.size(0), logits.size(1), zsize).double()
- x = torch.zeros(logits.size(0), logits.size(1), zsize).double()
- x[:, :, :] = U[:, :, :] + logits[:, :, 0:zsize]
- return x
- def binary_accuracy(output, labels):
- preds = output > 0.5
- correct = preds.type_as(labels).eq(labels).double()
- correct = correct.sum()
- return correct / len(labels)
- def kl_categorical(preds, log_prior, num_atoms, eps=1e-16):
- kl_div = preds * (torch.log(preds + eps) - torch.log(log_prior + eps))
- return kl_div.sum() / (num_atoms)
- def kl_gaussian(preds, zsize):
- predsnew = preds.squeeze(1)
- mu = predsnew[:, 0:zsize]
- log_sigma = predsnew[:, zsize:2*zsize]
- kl_div = torch.exp(2*log_sigma) - 2*log_sigma + mu * mu
- kl_sum = kl_div.sum()
- return (kl_sum / (preds.size(0)) - zsize) * 0.5
- def kl_gaussian_sem(preds):
- mu = preds
- kl_div = mu * mu
- kl_sum = kl_div.sum()
- return (kl_sum / (preds.size(0))) * 0.5
- def kl_categorical_uniform(preds, num_atoms, num_edge_types, add_const=False, eps=1e-16):
- kl_div = preds * torch.log(preds + eps)
- if add_const:
- const = np.log(num_edge_types)
- kl_div += const
- return kl_div.sum() / (num_atoms * preds.size(0))
- def nll_gaussian(preds, target, variance, add_const=False):
- if isinstance(variance, float):
- variance = torch.tensor(variance, dtype=preds.dtype, device=preds.device)
- neg_log_p = variance + (preds - target)**2 / (2. * torch.exp(2. * variance))
- if add_const:
- const = 0.5 * torch.log(2 * torch.from_numpy(np.pi).to(variance.device) * variance)
- neg_log_p += const
- return neg_log_p.sum() / (target.size(0))
- def normalize_adj(adj):
- rowsum = torch.abs(torch.sum(adj, 1))
- d_inv_sqrt = torch.pow(rowsum, -0.5)
- d_inv_sqrt[torch.isinf(d_inv_sqrt)] = 0.
- d_mat_inv_sqrt = torch.diag(d_inv_sqrt)
- myr = torch.matmul(torch.matmul(d_mat_inv_sqrt, adj), d_mat_inv_sqrt)
- myr[isnan(myr)] = 0.
- return myr
- def preprocess_adj(adj):
- device = adj.device
- I = torch.eye(adj.shape[0], dtype=torch.double, device=device)
- adj_normalized = I + adj.transpose(0, 1)
- return adj_normalized
- def preprocess_adj_new(adj):
- device = adj.device
- I = torch.eye(adj.shape[0], dtype=torch.double, device=device)
- adj_normalized = I - adj.transpose(0, 1)
- return adj_normalized
- def preprocess_adj_new1(adj):
- device = adj.device
- I = torch.eye(adj.shape[0], dtype=torch.double, device=device)
- adj_normalized = torch.inverse(I - adj.transpose(0, 1))
- return adj_normalized
- def isnan(x):
- return x != x
- def my_normalize(z):
- device = z.device
- znor = torch.zeros(z.size(), dtype=torch.double, device=device)
- for i in range(z.size(0)):
- testnorm = torch.norm(z[i, :, :], dim=0)
- znor[i, :, :] = z[i, :, :] / testnorm
- znor[isnan(znor)] = 0.0
- return znor
- def sparse_to_tuple(sparse_mx):
- def to_tuple(mx):
- if not sp.isspmatrix_coo(mx):
- mx = mx.tocoo()
- coords = np.vstack((mx.row, mx.col)).transpose()
- values = mx.data
- shape = mx.shape
- return coords, values, shape
- if isinstance(sparse_mx, list):
- for i in range(len(sparse_mx)):
- sparse_mx[i] = to_tuple(sparse_mx[i])
- else:
- sparse_mx = to_tuple(sparse_mx)
- return sparse_mx
- def matrix_poly(matrix, d):
- device = matrix.device
- I = torch.eye(d, dtype=torch.double, device=device)
- x = I + matrix / d
- return torch.matrix_power(x, d)
- def A_connect_loss(A, tol, z):
- d = A.size()[0]
- loss = 0
- for i in range(d):
- loss += 2 * tol - torch.sum(torch.abs(A[:, i])) - torch.sum(torch.abs(A[i, :])) + z * z
- return loss
- def A_positive_loss(A, z_positive):
- result = -A + z_positive * z_positive
- loss = torch.sum(result)
- return loss
- def compute_BiCScore(G, D):
- origin_score = []
- num_var = G.shape[0]
- for i in range(num_var):
- parents = np.where(G[:, i] != 0)
- score_one = compute_local_BiCScore(D, i, parents)
- origin_score.append(score_one)
- score = sum(origin_score)
- return score
- def compute_local_BiCScore(np_data, target, parents):
- sample_size = np_data.shape[0]
- count_d = dict()
- for data_ind in range(sample_size):
- parent_combination = tuple(np_data[data_ind, parents].reshape(1, -1)[0])
- self_value = tuple(np_data[data_ind, target].reshape(1, -1)[0])
- if parent_combination in count_d:
- if self_value in count_d[parent_combination]:
- count_d[parent_combination][self_value] += 1.0
- else:
- count_d[parent_combination][self_value] = 1.0
- else:
- count_d[parent_combination] = dict()
- count_d[parent_combination][self_value] = 1.0
- loglik = 0.0
- num_parent_state = np.prod(np.amax(np_data[:, parents], axis=0) + 1)
- num_self_state = np.amax(np_data[:, target], axis=0) + 1
- for parents_state in count_d:
- local_count = sum(count_d[parents_state].values())
- for self_state in count_d[parents_state]:
- loglik += count_d[parents_state][self_state] * (
- math.log(count_d[parents_state][self_state] + 0.1) - math.log(local_count))
- num_param = num_parent_state * (num_self_state - 1)
- bic = loglik - 0.5 * math.log(sample_size) * num_param
- return bic
utils.py at commit 533ee14, no license · at the source
Overview
- Department of Computer Science and Engineering, University of Texas at Arlington,500 UTA Blvd., Arlington, TX 76019 USA
- Department of Biostatistics and Data Science, University of Texas Medical Branch,301 University Blvd., Galveston, TX 77555 USA
- Department of Computer Science, Baylor University,One Bear Place #97141, Waco, TX 76798 USA
Abstract
The abstract is not reproduced here: the paper's license (CC BY-NC-ND) does not allow it. Read it in the paper, at the publisher or on Europe PMC.
Repository
Its files are read in the Code ↔ Paper reader above, with 5 matches between paragraphs and lines of code.
tenglong322/DAG-VAERL
533ee14130b88ec3f707e7cb379c0e5653b5d8c4, 6 May 2026Availability: 1 check, the latest on 27 September 2026: the link answers
- 27 September 2026: the link answers
11 files
- config.py, Python, 117 lines
- data_loader.py, Python, 93 lines
- main.py, Python, 210 lines
- network.py, Python, 364 lines, 1 match
- rl_training.py, Python, 95 lines, 1 match
- sink.py, Python, 361 lines
- test.py, Python, 77 lines
- training.py, Python, 229 lines
- utils.py, Python, 493 lines, 2 matches
- visualization.py, Python, 153 lines, 1 match
- README.md, Text, 23 lines
The paper's code and data availability statement is in the Data section.
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Code and data availability statement
The paper has a code and data availability statement. Its license (CC BY-NC-ND) does not allow reproducing it here; in short, from what the harvester recognized in it:
- it points to the authors' code: tenglong322/
DAG-VAERL
Read it in the paper: doi.org/10.1186/s13040-026-00571-z.
Versions
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Version 1, 27 September 2026: the first record
Recorded: type, language, journal, volume, issue, pages, dates, 4 authors, 6 keywords, 15 references.
Cite
This paper
Long, T., Satyal, S., Kuo, Y.-F., & Gao, J. (2026). DAG-VAERL: a novel causal inference method for building causal gene regulatory networks. BioData mining, 19(1), 68. https://
BibTeX
@article{long2026dag,
author = {Long, Teng and Satyal, Sachit and Kuo, Yong-Fang and Gao, Jean},
title = {{DAG-VAERL: a novel causal inference method for building causal gene regulatory networks}},
journal = {BioData mining},
year = {2026},
month = jun,
volume = {19},
number = {1},
pages = {68},
publisher = {BMC},
issn = {1756-0381},
doi = {10.1186/
url = {https://
pmid = {42304400},
pmcid = {PMC13520353}
}
RIS
TY - JOUR
AU - Long, Teng
AU - Satyal, Sachit
AU - Kuo, Yong-Fang
AU - Gao, Jean
TI - DAG-VAERL: a novel causal inference method for building causal gene regulatory networks
T2 - BioData mining
J2 - BioData Min
PY - 2026
DA - 2026/
VL - 19
IS - 1
SP - 68
SN - 1756-0381
PB - BMC
DO - 10.1186/
UR - https://
LA - en
ER -
CSL-JSON
{
"id": "10.1186/
"type": "article-journal",
"title": "DAG-VAERL: a novel causal inference method for building causal gene regulatory networks",
"container-title": "BioData mining",
"author": [
{
"family": "Long",
"given": "Teng"
},
{
"family": "Satyal",
"given": "Sachit"
},
{
"family": "Kuo",
"given": "Yong-Fang"
},
{
"family": "Gao",
"given": "Jean"
}
],
"container-title-short":
"volume": "19",
"issue": "1",
"page": "68",
"DOI": "10.1186/
"PMID": "42304400",
"PMCID": "PMC13520353",
"ISSN": "1756-0381",
"publisher": "BMC",
"URL": "https://
"language": "en",
"issued": {
"date-parts": [
[
2026,
6,
16
]
]
}
}
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