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It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Identifying causative genes from patient phenotypes remains a significant challenge in precision medicine, with important implications for the diagnosis and treatment of genetic disorders. We propose a novel graph-based approach for…

Machine Learning · Computer Science 2025-06-17 Kamilia Zaripova , Ege Özsoy , Nassir Navab , Azade Farshad

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

Machine Learning · Computer Science 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam

Temporal knowledge graph (TKG) reasoning aims to infer future facts at unseen timestamps from temporally evolving entities and relations. Despite recent progress, existing approaches still suffer from inherent limitations due to their…

Artificial Intelligence · Computer Science 2026-04-14 Shuai-Long Lei , Xiaobin Zhu , Jiarui Liang , Guoxi Sun , Zhiyu Fang , Xu-Cheng Yin

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates…

Drug synergy prediction is a critical task in the development of effective combination therapies for complex diseases, including cancer. Although existing methods have shown promising results, they often operate as black-box predictors that…

Machine Learning · Computer Science 2025-11-05 Yi Luo , Haochen Zhao , Xiao Liang , Yiwei Liu , Yuye Zhang , Xinyu Li , Jianxin Wang

Knowledge Graphs (KG) constitute a flexible representation of complex relationships between entities particularly useful for biomedical data. These KG, however, are very sparse with many missing edges (facts) and the visualisation of the…

Artificial Intelligence · Computer Science 2016-12-08 Armando Vieira

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

Artificial Intelligence · Computer Science 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Estimating causal quantities traditionally relies on bespoke estimators tailored to specific assumptions. Recently proposed Causal Foundation Models (CFMs) promise a more unified approach by amortising causal discovery and inference in a…

Sparse autoencoders can localize where concepts live in language models, but not how they interact during multi-step reasoning. We propose Causal Concept Graphs (CCG): a directed acyclic graph over sparse, interpretable latent features,…

Machine Learning · Computer Science 2026-04-27 Md Muntaqim Meherab , Noor Islam S. Mohammad , Faiza Feroz

Knowledge graph embeddings (KGEs) were originally developed to infer true but missing facts in incomplete knowledge repositories. In this paper, we link knowledge graph completion and counterfactual reasoning via our new task CFKGR. We…

Machine Learning · Computer Science 2024-03-12 Lena Zellinger , Andreas Stephan , Benjamin Roth

Causal inference with observational data critically relies on untestable and extra-statistical assumptions that have (sometimes) testable implications. Well-known sets of assumptions that are sufficient to justify the causal interpretation…

Methodology · Statistics 2024-02-20 Pablo Geraldo Bastías

Chart images, such as bar charts, pie charts, and line charts, are explosively produced due to the wide usage of data visualizations. Accordingly, knowledge mining from chart images is becoming increasingly important, which can benefit…

Artificial Intelligence · Computer Science 2024-10-15 Zhiguang Zhou , Haoxuan Wang , Zhengqing Zhao , Fengling Zheng , Yongheng Wang , Wei Chen , Yong Wang

Causal models seek to unravel the cause-effect relationships among variables from observed data, as opposed to mere mappings among them, as traditional regression models do. This paper introduces a novel causal discovery algorithm designed…

Machine Learning · Computer Science 2024-10-03 Saeed Mohseni-Sehdeh , Walid Saad

Retrieval-Augmented Generation (RAG) enhances language models by grounding responses in external information, yet explainability remains a critical challenge, particularly when retrieval relies on unstructured text. Knowledge graphs (KGs)…

Machine Learning · Computer Science 2025-07-14 Georgios Balanos , Evangelos Chasanis , Konstantinos Skianis , Evaggelia Pitoura

This paper introduces a new framework for recovering causal graphs from observational data, leveraging the observation that the distribution of an effect, conditioned on its causes, remains invariant to changes in the prior distribution of…

Machine Learning · Computer Science 2026-02-04 Nang Hung Nguyen , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang , Masashi Sugiyama

Exploring the effects a chemical compound has on a species takes a considerable experimental effort. Appropriate methods for estimating and suggesting new effects can dramatically reduce the work needed to be done by a laboratory. In this…

Artificial Intelligence · Computer Science 2019-11-12 Erik Bryhn Myklebust , Ernesto Jimenez-Ruiz , Jiaoyan Chen , Raoul Wolf , Knut Erik Tollefsen

Many large-scale applications can be elegantly represented using graph structures. Their scalability, however, is often limited by the domain knowledge required to apply them. To address this problem, we propose a novel Causal Temporal…

Machine Learning · Computer Science 2023-03-20 Abigail Langbridge , Fearghal O'Donncha , Amadou Ba , Fabio Lorenzi , Christopher Lohse , Joern Ploennigs