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Spatial interference (SI) occurs when the treatment at one location affects the outcomes at other locations. Accounting for spatial interference in spatiotemporal settings poses further challenges as interference violates the stable unit…

机器学习 · 计算机科学 2024-09-02 Sahara Ali , Omar Faruque , Jianwu Wang

Interpretable scientific machine learning often trades predictive performance for structural transparency. When physical targets arise from hierarchical and nonlinear descriptor entanglement, weakly interacting white-box models underfit,…

材料科学 · 物理学 2026-03-30 Seong-Hoon Jang

Causal discovery through experimentation and intervention is fundamental to robust problem solving. It requires not just updating beliefs within a fixed framework but revising the hypothesis space itself, a capacity current AI agents lack…

人工智能 · 计算机科学 2026-04-23 John Alderete , Sebastian Benthal , Connie Xu , John Xing

Classifying chemicals according to putative modes of action (MOAs) is of paramount importance in the context of risk assessment. However, current methods are only able to handle a very small proportion of the existing chemicals. We address…

定量方法 · 定量生物学 2018-11-28 Cătălina Cangea , Arturas Grauslys , Pietro Liò , Francesco Falciani

Large language model agents increasingly rely on persistent memory to store past interactions, retrieve relevant demonstrations, and improve long-horizon task execution. However, this memory mechanism also creates a practical security…

人工智能 · 计算机科学 2026-05-25 Zhewen Tan , Yilun Yao , Huiyan Jin , Wenhan Yu , Guoan Wang , Mengyuan Fan , liang lu , Feng Liu , Xiangzheng Zhang , Duohe Ma , Tong Yang , Lin Sun

Large language models often struggle with complex long-horizon analytical tasks over unstructured tables, which typically feature hierarchical and bidirectional headers and non-canonical layouts. We formalize this challenge as Deep Tabular…

人工智能 · 计算机科学 2026-03-13 Junnan Dong , Chuang Zhou , Zheng Yuan , Yifei Yu , Qiufeng Wang , Yinghui Li , Siyu An , Di Yin , Xing Sun , Feiyue Huang

In the context of modern environmental and societal concerns, there is an increasing demand for methods able to identify management strategies for civil engineering systems, minimizing structural failure risks while optimally planning…

Explainable AI (XAI) methods identify which features are relevant to a model's predictions but often fail to clarify why certain decisions are made. In this work, we present a novel method that integrates causality with argument-based…

人工智能 · 计算机科学 2026-05-22 Henry Salgado , Meagan R. Kendall , Martine Ceberio

Artificial neural network models have emerged as promising mechanistic models of the brain. However, there is little consensus on the correct method for comparing model activations to brain responses. Drawing on recent work in philosophy of…

机器学习 · 计算机科学 2025-10-06 Imran Thobani , Javier Sagastuy-Brena , Aran Nayebi , Jacob Prince , Rosa Cao , Daniel Yamins

Accurate prediction of drug-target interactions is critical for advancing drug discovery. By reducing time and cost, machine learning and deep learning can accelerate this laborious discovery process. In a novel approach, BarlowDTI, we…

生物大分子 · 定量生物学 2024-10-15 Maximilian G. Schuh , Davide Boldini , Annkathrin I. Bohne , Stephan A. Sieber

Integrated sensing and communications (ISAC) is potentially capable of circumventing the limitations of existing frequency-division sensing and communications (FDSAC) techniques. Hence, it has recently attracted significant attention. This…

信息论 · 计算机科学 2022-08-09 Chongjun Ouyang , Yuanwei Liu , Hongwen Yang , Naofal Al-Dhahir

Runtime nondeterminism is a fact of life in modern database applications. Previous research has shown that nondeterminism can cause applications to intermittently crash, become unresponsive, or experience data corruption. We propose…

数据库 · 计算机科学 2020-04-13 Anna Fariha , Suman Nath , Alexandra Meliou

In many applications of causal inference, the treatment received by one unit may influence the outcome of another, a phenomenon referred to as interference. Although there are several frameworks for conducting causal inference in the…

统计方法学 · 统计学 2025-11-27 Matvey Ortyashov , AmirEmad Ghassami

The field of 'explainable' artificial intelligence (XAI) has produced highly cited methods that seek to make the decisions of complex machine learning (ML) methods 'understandable' to humans, for example by attributing 'importance' scores…

机器学习 · 计算机科学 2023-12-08 Benedict Clark , Rick Wilming , Stefan Haufe

Explainable AI (XAI) in high-stakes domains should help stakeholders trust and verify system outputs. Yet Chain-of-Thought methods reason before concluding, and logical gaps or hallucinations can yield conclusions that do not reliably align…

人工智能 · 计算机科学 2026-01-13 Chen Qian , Yimeng Wang , Yu Chen , Lingfei Wu , Andreas Stathopoulos

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

生物大分子 · 定量生物学 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

Disaggregated evaluation is a central task in AI fairness assessment, where the goal is to measure an AI system's performance across different subgroups defined by combinations of demographic or other sensitive attributes. The standard…

机器学习 · 计算机科学 2024-05-15 Christine Herlihy , Kimberly Truong , Alexandra Chouldechova , Miroslav Dudik

Automation of tasks can have critical consequences when humans lose agency over decision processes. Deep learning models are particularly susceptible since current black-box approaches lack explainable reasoning. We argue that both the…

人机交互 · 计算机科学 2019-07-26 Sebastian Gehrmann , Hendrik Strobelt , Robert Krüger , Hanspeter Pfister , Alexander M. Rush

Classical causal inference assumes treatments meant for a given unit do not have an effect on other units. This assumption is violated in interference problems, where new types of spillover causal effects arise, and causal inference becomes…

统计方法学 · 统计学 2024-09-30 Ilya Shpitser , Chan Park , Eric Tchetgen Tchetgen , Ryan Andrews

Understanding the reasoning behind deep learning model predictions is crucial in cheminformatics and drug discovery, where molecular design determines their properties. However, current evaluation frameworks for Explainable AI (XAI) in this…

机器学习 · 计算机科学 2025-05-29 Magdalena Proszewska , Tomasz Danel , Dawid Rymarczyk