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The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

In biomedical research, repeated measurements within each subject are often processed to remove artifacts and unwanted sources of variation. The resulting data are used to construct derived outcomes that act as proxies for scientific…

Methodology · Statistics 2026-02-03 Zihang Wang , Razieh Nabi , Benjamin B. Risk

Integrated sensing and communications (ISAC) is a key enabler for next-generation wireless systems, aiming to support both high-throughput communication and high-accuracy environmental sensing using shared spectrum and hardware. Theoretical…

Signal Processing · Electrical Eng. & Systems 2025-08-05 Lin Chen , Chang Cai , Huiyuan Yang , Xiaojun Yuan , Ying-Jun Angela Zhang

In the domain of causal inference research, the prevalent potential outcomes framework, notably the Rubin Causal Model (RCM), often overlooks individual interference and assumes independent treatment effects. This assumption, however, is…

Methodology · Statistics 2024-02-21 Hongtao Zhu , Sizhe Zhang , Yang Su , Zhenyu Zhao , Nan Chen

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

Modern manufacturing environments demand not only accurate predictions but also interpretable insights to process anomalies, root causes, and potential interventions. Existing AI systems often function as isolated black boxes, lacking the…

Artificial Intelligence · Computer Science 2025-10-15 Chathurangi Shyalika , Aryaman Sharma , Fadi El Kalach , Utkarshani Jaimini , Cory Henson , Ramy Harik , Amit Sheth

Post-hoc explainability methods are a subset of Machine Learning (ML) that aim to provide a reason for why a model behaves in a certain way. In this paper, we show a new black-box model-agnostic adversarial attack for post-hoc explainable…

Machine Learning · Computer Science 2025-11-14 Leonardo Pesce , Jiawen Wei , Gianmarco Mengaldo

Drug-target interaction (DTI) prediction is a challenging, albeit essential task in drug repurposing. Learning on graph models have drawn special attention as they can significantly reduce drug repurposing costs and time commitment.…

Post-hoc interpretability methods play a critical role in explainable artificial intelligence (XAI), as they pinpoint portions of data that a trained deep learning model deemed important to make a decision. However, different post-hoc…

Machine Learning · Computer Science 2024-07-30 Jiawen Wei , Hugues Turbé , Gianmarco Mengaldo

We consider sequential treatment regimes where each unit is exposed to combinations of interventions over time. When interventions are described by qualitative labels, such as "close schools for a month due to a pandemic" or "promote this…

Machine Learning · Statistics 2024-10-31 Jialin Yu , Andreas Koukorinis , Nicolò Colombo , Yuchen Zhu , Ricardo Silva

Background: Drug-drug interactions (DDIs) refer to processes triggered by the administration of two or more drugs leading to side effects beyond those observed when drugs are administered by themselves. Due to the massive number of possible…

Quantitative Methods · Quantitative Biology 2020-12-25 Kyriakos Schwarz , Ahmed Allam , Nicolas Andres Perez Gonzalez , Michael Krauthammer

Artificial intelligence (AI) has demonstrated strong potential in clinical diagnostics, often achieving accuracy comparable to or exceeding that of human experts. A key challenge, however, is that AI reasoning frequently diverges from…

Artificial Intelligence · Computer Science 2026-05-25 Belona Sonna , Alban Grastien

Time-series causal discovery methods rely on assumptions such as stationarity, regular sampling, and bounded temporal dependence. When these assumptions are violated, structure learning can produce confident but misleading causal graphs…

Machine Learning · Computer Science 2026-04-06 Marco Ruiz , Miguel Arana-Catania , David R. Ardila , Rodrigo Ventura

While attention has been an increasingly popular component in deep neural networks to both interpret and boost the performance of models, little work has examined how attention progresses to accomplish a task and whether it is reasonable.…

Computer Vision and Pattern Recognition · Computer Science 2022-04-22 Shi Chen , Ming Jiang , Jinhui Yang , Qi Zhao

Black-box Artificial Intelligence (AI) methods, e.g. deep neural networks, have been widely utilized to build predictive models that can extract complex relationships in a dataset and make predictions for new unseen data records. However,…

Artificial Intelligence · Computer Science 2020-09-22 Milad Moradi , Matthias Samwald

Counterfactual reasoning -- the practice of asking ``what if'' by varying inputs and observing changes in model behavior -- has become central to interpretable and fair AI. This thesis develops frameworks that use counterfactuals to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Pushkar Shukla

Voice-controlled dialog systems have become immensely popular due to their ability to perform a wide range of actions in response to diverse user queries. These agents possess a predefined set of skills or intents to fulfill specific user…

Computation and Language · Computer Science 2026-03-17 Ankan Mullick , Sukannya Purkayastha , Saransh Sharma , Pawan Goyal , Niloy Ganguly

Estimating causal interactions in complex dynamical systems is an important problem encountered in many fields of current science. While a theoretical solution for detecting the causal interactions has been previously formulated in the…

Data Analysis, Statistics and Probability · Physics 2020-01-20 Jakub Kořenek , Jaroslav Hlinka

Contextual clinical reasoning demands robust inference grounded in complex, heterogeneous clinical records. While state-of-the-art fine-tuning, in-context learning (ICL), and retrieval-augmented generation (RAG) enable knowledge exposure,…

Quantitative Methods · Quantitative Biology 2026-04-09 Chuang Zhao , Hongke Zhao , Xiaofang Zhou , Xiaomeng Li

Motivation: Many high-performance DTA models have been proposed, but they are mostly black-box and thus lack human interpretability. Explainable AI (XAI) can make DTA models more trustworthy, and can also enable scientists to distill…

Artificial Intelligence · Computer Science 2021-06-03 Tri Minh Nguyen , Thomas P Quinn , Thin Nguyen , Truyen Tran