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Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between…

Chemical Physics · Physics 2016-02-12 Joseph F. Rudzinski , Kurt Kremer , Tristan Bereau

Many production processes are characterized by numerous and complex cause-and-effect relationships. Since they are only partially known they pose a challenge to effective process control. In this work we present how Structural Equation…

Machine Learning · Statistics 2022-10-27 Maximilian Kertel , Stefan Harmeling , Markus Pauly

Knowledge of the underlying causal relations is essential for inferring the effect of interventions in complex systems. In a widely studied approach, structural causal models postulate noisy functional relations among interacting variables,…

Methodology · Statistics 2024-06-21 David Strieder , Mathias Drton

Causal inference is a central goal across many scientific disciplines. Over the past several decades, three major frameworks have emerged to formalize causal questions and guide their analysis: the potential outcomes framework, structural…

Statistics Theory · Mathematics 2026-02-12 Linbo Wang , Thomas Richardson , James Robins

Concurrent systems identify systems, either software, hardware or even biological systems, that are characterized by sets of independent actions that can be executed in any order or simultaneously. Computer scientists resort to a causal…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-03-07 Silvia Crafa , Federica Russo

Causal Models are increasingly suggested as a means to reason about the behavior of cyber-physical systems in socio-technical contexts. They allow us to analyze courses of events and reason about possible alternatives. Until now, however,…

Artificial Intelligence · Computer Science 2019-11-13 Severin Kacianka , Amjad Ibrahim , Alexander Pretschner , Alexander Trende , Andreas Lüdtke

Evaluation of counterfactual queries (e.g., "If A were true, would C have been true?") is important to fault diagnosis, planning, determination of liability, and policy analysis. We present a method of revaluating counterfactuals when the…

Artificial Intelligence · Computer Science 2013-02-21 Alexander Balke , Judea Pearl

Counterfactual inference is a powerful tool, capable of solving challenging problems in high-profile sectors. To perform counterfactual inference, one requires knowledge of the underlying causal mechanisms. However, causal mechanisms cannot…

Machine Learning · Computer Science 2023-01-23 Athanasios Vlontzos , Bernhard Kainz , Ciaran M. Gilligan-Lee

Heterogeneity in medical data, e.g., from data collected at different sites and with different protocols in a clinical study, is a fundamental hurdle for accurate prediction using machine learning models, as such models often fail to…

Machine Learning · Computer Science 2021-07-13 Rongguang Wang , Pratik Chaudhari , Christos Davatzikos

We probe the foundations of causal structure inference experimentally. The causal structure concerns which events influence other events. We probe whether causal structure can be determined without intervention in quantum systems.…

Quantum Physics · Physics 2024-11-12 Hongfeng Liu , Xiangjing Liu , Qian Chen , Yixian Qiu , Vlatko Vedral , Xinfang Nie , Oscar Dahlsten , Dawei Lu

Machine learning plays a role in many deployed decision systems, often in ways that are difficult or impossible to understand by human stakeholders. Explaining, in a human-understandable way, the relationship between the input and output of…

Machine Learning · Computer Science 2022-11-17 Sahil Verma , Varich Boonsanong , Minh Hoang , Keegan E. Hines , John P. Dickerson , Chirag Shah

Understanding the predictions made by deep learning models remains a central challenge, especially in high-stakes applications. A promising approach is to equip models with the ability to answer counterfactual questions -- hypothetical…

Machine Learning · Computer Science 2025-10-28 Inwoo Hwang , Yushu Pan , Elias Bareinboim

Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is…

Chemical Physics · Physics 2015-06-22 Christian R. Schwantes , Robert T. McGibbon , Vijay S. Pande

When dealing with time series data, causal inference methods often employ structural vector autoregressive (SVAR) processes to model time-evolving random systems. In this work, we rephrase recursive SVAR processes with possible latent…

Statistics Theory · Mathematics 2024-08-19 Nicolas-Domenic Reiter , Andreas Gerhardus , Jonas Wahl , Jakob Runge

We present a categorical framework for relating causal models that represent the same system at different levels of abstraction. We define a causal abstraction as natural transformations between appropriate Markov functors, which concisely…

Machine Learning · Statistics 2025-10-07 Markus Englberger , Devendra Singh Dhami

Inferring the causal structure that links n observables is usually based upon detecting statistical dependences and choosing simple graphs that make the joint measure Markovian. Here we argue why causal inference is also possible when only…

Statistics Theory · Mathematics 2008-04-24 Dominik Janzing , Bernhard Schoelkopf

We propose a numerical technique for parameter inference in Markov models of biological processes. Based on time-series data of a process we estimate the kinetic rate constants by maximizing the likelihood of the data. The computation of…

Quantitative Methods · Quantitative Biology 2011-02-15 Aleksandr Andreychenko , Linar Mikeev , David Spieler , Verena Wolf

In the following writing we discuss a conceptual framework for representing events and scenarios from the perspective of a novel form of causal analysis. This causal analysis is applied to the events and scenarios so as to determine…

Artificial Intelligence · Computer Science 2018-07-06 Anton Kolonin

In observational studies, treatment may be adapted to covariates at several times without a fixed protocol, in continuous time. Treatment influences covariates, which influence treatment, which influences covariates, and so on. Then even…

Statistics Theory · Mathematics 2015-09-02 Judith J. Lok

We propose new definitions of (causal) explanation, using structural equations to model counterfactuals. The definition is based on the notion of actual cause, as defined and motivated in a companion paper. Essentially, an explanation is a…

Artificial Intelligence · Computer Science 2007-05-23 Joseph Y. Halpern , Judea Pearl
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