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Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have…

Machine Learning · Computer Science 2024-04-08 Zachary R. Fox , Ayana Ghosh

Causal inference is fundamental across scientific disciplines, yet existing methods struggle to capture instantaneous, time-evolving causal relationships in complex, high-dimensional systems. In this paper, assimilative causal inference…

Machine Learning · Computer Science 2026-02-23 Marios Andreou , Nan Chen , Erik Bollt

Causality analysis is an important problem lying at the heart of science, and is of particular importance in data science and machine learning. An endeavor during the past 16 years viewing causality as real physical notion so as to…

Artificial Intelligence · Computer Science 2021-04-26 X. San Liang

Understanding causality helps to structure interventions to achieve specific goals and enables predictions under interventions. With the growing importance of learning causal relationships, causal discovery tasks have transitioned from…

Machine Learning · Computer Science 2022-09-15 Hang Chen , Keqing Du , Xinyu Yang , Chenguang Li

Causal discovery algorithms aim at untangling complex causal relationships from data. Here, we study causal discovery and inference methods based on staged tree models, which can represent complex and asymmetric causal relationships between…

Methodology · Statistics 2023-03-02 Manuele Leonelli , Gherardo Varando

Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about…

Dynamical Systems · Mathematics 2023-05-17 Nan Chen , Yinling Zhang

Learning causal relationships between variables is a well-studied problem in statistics, with many important applications in science. However, modeling real-world systems remain challenging, as most existing algorithms assume that the…

To draw scientifically meaningful conclusions and build reliable models of quantitative phenomena, cause and effect must be taken into consideration (either implicitly or explicitly). This is particularly challenging when the measurements…

Machine Learning · Computer Science 2020-12-11 Max A. Little , Reham Badawy

Identifying variables responsible for changes to a biological system enables applications in drug target discovery and cell engineering. Given a pair of observational and interventional datasets, the goal is to isolate the subset of…

Machine Learning · Computer Science 2025-06-02 Menghua Wu , Umesh Padia , Sean H. Murphy , Regina Barzilay , Tommi Jaakkola

Discovering the causal effect of a decision is critical to nearly all forms of decision-making. In particular, it is a key quantity in drug development, in crafting government policy, and when implementing a real-world machine learning…

Machine Learning · Computer Science 2020-03-04 Limor Gultchin , Matt J. Kusner , Varun Kanade , Ricardo Silva

Research in Cognitive Science suggests that humans understand and represent knowledge of the world through causal relationships. In addition to observations, they can rely on experimenting and counterfactual reasoning -- i.e. referring to…

Artificial Intelligence · Computer Science 2021-05-24 Kanvaly Fadiga , Etienne Houzé , Ada Diaconescu , Jean-Louis Dessalles

Most neural models of causality assume static causal graphs, failing to capture the dynamic and sparse nature of physical interactions where causal relationships emerge and dissolve over time. We introduce the Causal Process Framework and…

Machine Learning · Computer Science 2026-04-07 Turan Orujlu , Christian Gumbsch , Martin V. Butz , Charley M Wu

Causal discovery, i.e., inferring underlying causal relationships from observational data, is highly challenging for AI systems. In a time series modeling context, traditional causal discovery methods mainly consider constrained scenarios…

Time-varying causal models provide a powerful framework for studying dynamic scientific systems, yet most existing approaches assume that the underlying causal network is known a priori - an assumption rarely satisfied in real-world domains…

Machine Learning · Computer Science 2026-05-28 Dmitry Zaytsev , Valentina Kuskova , Michael Coppedge

Causal discovery is at the core of human cognition. It enables us to reason about the environment and make counterfactual predictions about unseen scenarios that can vastly differ from our previous experiences. We consider the task of…

Machine Learning · Computer Science 2020-12-01 Yunzhu Li , Antonio Torralba , Animashree Anandkumar , Dieter Fox , Animesh Garg

Recent years have seen a surge of interest in learning high-level causal representations from low-level image pairs under interventions. Yet, existing efforts are largely limited to simple synthetic settings that are far away from…

Machine Learning · Computer Science 2023-04-04 Yuejiang Liu , Alexandre Alahi , Chris Russell , Max Horn , Dominik Zietlow , Bernhard Schölkopf , Francesco Locatello

Unraveling the causal relationships among the execution of process activities is a crucial element in predicting the consequences of process interventions and making informed decisions regarding process improvements. Process discovery…

Artificial Intelligence · Computer Science 2025-01-15 Fabiana Fournier , Lior Limonad , Inna Skarbovsky , Yuval David

Causal discovery is the subfield of causal inference concerned with estimating the structure of cause-and-effect relationships in a system of interrelated variables, as opposed to quantifying the strength or describing the form of causal…

Methodology · Statistics 2026-03-26 Rebecca F. Supple , Hannah Worthington , Ben Swallow

Causal discovery uncovers complex relationships between variables, enhancing predictions, decision-making, and insights into real-world systems, especially in nonlinear multivariate time series. However, most existing methods primarily…

Machine Learning · Computer Science 2025-10-30 Wasim Ahmad , Joachim Denzler , Maha Shadaydeh

Causal analysis has become an essential component in understanding the underlying causes of phenomena across various fields. Despite its significance, existing literature on causal discovery algorithms is fragmented, with inconsistent…

Artificial Intelligence · Computer Science 2024-09-05 Wenjin Niu , Zijun Gao , Liyan Song , Lingbo Li