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Early-warning signals of delicate design are always used to predict critical transitions in complex systems, which makes it possible to render the systems far away from the catastrophic state by introducing timely interventions. Traditional…

Machine Learning · Computer Science 2024-12-25 Shirui Bian , Zezhou Wang , Siyang Leng , Wei Lin , Jifan Shi

Causal opacity denotes the difficulty in understanding the "hidden" causal structure underlying the decisions of deep neural network (DNN) models. This leads to the inability to rely on and verify state-of-the-art DNN-based systems,…

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Causal discovery, the task of inferring causal structure from data, has the potential to uncover mechanistic insights from biological experiments, especially those involving perturbations. However, causal discovery algorithms over larger…

Machine Learning · Computer Science 2025-04-01 Menghua Wu , Yujia Bao , Regina Barzilay , Tommi Jaakkola

Routinely collected clinical blood tests are an emerging molecular data source for large-scale biomedical research but inherently feature irregular sampling and informative observation. Traditional approaches rely on imputation, which can…

Quantitative Methods · Quantitative Biology 2025-03-20 Andrea Zerio , Maya Bechler-Speicher , Tine Jess , Aleksejs Sazonovs

Despite theoretical advantages, causal methods for Gene Regulatory Network (GRN) inference from single-cell RNA-seq data consistently fail to match or outperform correlation-based baselines in many realistic benchmarks, a persistent puzzle…

Machine Learning · Computer Science 2026-05-07 Miguel Fernandez-de-Retana , Ruben Sanchez-Corcuera , Unai Zulaika , Aritz Bilbao-Jayo , Aitor Almeida

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

Deep graph learning has advanced Alzheimer's (AD) disease classification from MRI, but most models remain correlational, confounding demographic and genetic factors with disease specific features. We present Causal-GCN, an interventional…

Machine Learning · Computer Science 2025-11-20 Pranay Kumar Peddi , Dhrubajyoti Ghosh

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2023-09-06 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

Graph neural networks (GNNs) have been developed to model the relationship between regions of interest (ROIs) in brains and have shown significant improvement in detecting brain diseases. However, most of these frameworks do not consider…

Machine Learning · Computer Science 2025-06-23 Falih Gozi Febrinanto , Adonia Simango , Chengpei Xu , Jingjing Zhou , Jiangang Ma , Sonika Tyagi , Feng Xia

Graph Convolutional Network (GCN) is an emerging technique for information retrieval (IR) applications. While GCN assumes the homophily property of a graph, real-world graphs are never perfect: the local structure of a node may contain…

Machine Learning · Computer Science 2021-06-08 Fuli Feng , Weiran Huang , Xiangnan He , Xin Xin , Qifan Wang , Tat-Seng Chua

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

This paper presents Gem, a model-agnostic approach for providing interpretable explanations for any GNNs on various graph learning tasks. Specifically, we formulate the problem of providing explanations for the decisions of GNNs as a causal…

Machine Learning · Computer Science 2021-06-08 Wanyu Lin , Hao Lan , Baochun Li

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to…

Machine Learning · Computer Science 2023-06-21 Ola Ahmad , Nicolas Bereux , Loïc Baret , Vahid Hashemi , Freddy Lecue

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Understanding causal relationships within Gene Regulatory Networks (GRNs) is essential for unraveling the gene interactions in cellular processes. However, causal discovery in GRNs is a challenging problem for multiple reasons including the…

Artificial Intelligence · Computer Science 2023-10-06 Trang Nguyen , Alexander Tong , Kanika Madan , Yoshua Bengio , Dianbo Liu

Aiming at the limitations of traditional medical decision system in processing large-scale heterogeneous medical data and realizing highly personalized recommendation, this paper introduces a personalized medical decision algorithm…

Machine Learning · Computer Science 2024-05-29 Yafeng Yan , Shuyao He , Zhou Yu , Jiajie Yuan , Ziang Liu , Yan Chen

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

Machine Learning · Computer Science 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

Biological networks are pivotal in deciphering the complexity and functionality of biological systems. Causal inference, which focuses on determining the directionality and strength of interactions between variables rather than merely…

Molecular Networks · Quantitative Biology 2025-11-05 Hongyang Jiang , Yuezhu Wang , Ke Feng , Chaoyi Yin , Yi Chang , Huiyan Sun

Estimating causal effects from high-dimensional, structured exposures is a fundamental challenge in modern applications ranging from neuroscience and finance to environmental science. While the literature has addressed high-dimensional…

Methodology · Statistics 2026-04-29 Samhita Pal , Dhrubajyoti Ghosh