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Causal learning has long concerned itself with the accurate recovery of underlying causal mechanisms. Such causal modelling enables better explanations of out-of-distribution data. Prior works on causal learning assume that the high-level…

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Causal representation learning seeks to uncover causal relationships among high-level latent variables from low-level, entangled, and noisy observations. Existing approaches often either rely on deep neural networks, which lack…

Methodology · Statistics 2026-03-27 Wenjin Zhang , Yixin Wang , Yuqi Gu

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Machine Learning (ML) interatomic models and potentials have been widely employed in simulations of materials. Long-range interactions often dominate in some ionic systems whose dynamics behavior is significantly influenced. However, the…

Materials Science · Physics 2022-12-01 Hongyu Yu , Liangliang Hong , Shiyou Chen , Xingao Gong , Hongjun Xiang

Conceptual modeling (CM) applies abstraction to reduce the complexity of a system under study (e.g., an excerpt of reality). As a result of the conceptual modeling process a human interpretable, formalized representation (i.e., a conceptual…

Artificial Intelligence · Computer Science 2021-10-19 Dominik Bork

Continuous-time dynamics models, such as neural ordinary differential equations, have enabled the modeling of underlying dynamics in time-series data and accurate forecasting. However, parameterization of dynamics using a neural network…

Machine Learning · Computer Science 2022-10-14 Fan Wu , Sanghyun Hong , Donsub Rim , Noseong Park , Kookjin Lee

Discovering causal relations from observational time series without making the stationary assumption is a significant challenge. In practice, this challenge is common in many areas, such as retail sales, transportation systems, and medical…

Machine Learning · Computer Science 2024-07-11 Shanyun Gao , Raghavendra Addanki , Tong Yu , Ryan A. Rossi , Murat Kocaoglu

Marginal structural models (MSMs) are widely used in observational studies to estimate the causal effect of time-varying treatments. Despite its popularity, limited attention has been paid to summarizing the treatment history in the outcome…

Methodology · Statistics 2024-09-18 Jiewen Liu , Todd A. Miano , Stephen Griffiths , Michael G. S. Shashaty , Wei Yang

The proliferation of capable and efficient machine learning (ML) models marks one of the strongest methodological shifts in signal processing (SP) in its nearly 100-year history. ML models support the development of SP systems that…

Signal Processing · Electrical Eng. & Systems 2026-05-01 Daniel Waxman , Fernando Llorente , Petar M. Djurić

Neural models have demonstrated remarkable performance across diverse ranking tasks. However, the processes and internal mechanisms along which they determine relevance are still largely unknown. Existing approaches for analyzing neural…

Information Retrieval · Computer Science 2025-02-04 Catherine Chen , Jack Merullo , Carsten Eickhoff

We consider the problem of answering observational, interventional, and counterfactual queries in a causally sufficient setting where only observational data and the causal graph are available. Utilizing the recent developments in diffusion…

Machine Learning · Statistics 2024-10-11 Patrick Chao , Patrick Blöbaum , Sapan Patel , Shiva Prasad Kasiviswanathan

In this study, we present a universal nonlinear numerical scheme design method enabled by multi-agent reinforcement learning (MARL). Different from contemporary supervised-learning-based and reinforcement-learning-based approaches, no…

Computational Physics · Physics 2023-12-21 Hao-Chen Wang , Meilin Yu , Heng Xiao

Most literature on quantum collision models (CMs) usually considers periodic weak collisions featuring a fixed waiting time between two next collisions. Some works have yet addressed CMs with random waiting time and strong collisions…

Quantum Physics · Physics 2022-11-23 Francesco Ciccarello

The importance of considering contextual probabilities in shaping response patterns within psychological testing is underscored, despite the ubiquitous nature of order effects discussed extensively in methodological literature. Drawing from…

Methodology · Statistics 2024-03-28 Andrea Bosco

Linear quantile regression models aim at providing a detailed and robust picture of the (conditional) response distribution as function of a set of observed covariates. Longitudinal data represent an interesting field of application of such…

Methodology · Statistics 2015-07-30 Maria Francesca Marino , Nikos Tzavidis , Marco Alfo'

We introduce neural Markov logic networks (NMLNs), a statistical relational learning system that borrows ideas from Markov logic. Like Markov logic networks (MLNs), NMLNs are an exponential-family model for modelling distributions over…

Machine Learning · Computer Science 2020-10-23 Giuseppe Marra , Ondřej Kuželka

Trajectory modeling refers to characterizing human movement behavior, serving as a pivotal step in understanding mobility patterns. Nevertheless, existing studies typically ignore the confounding effects of geospatial context, leading to…

Machine Learning · Computer Science 2024-04-23 Kang Luo , Yuanshao Zhu , Wei Chen , Kun Wang , Zhengyang Zhou , Sijie Ruan , Yuxuan Liang

Existing approaches to causal discovery often rely on restrictive modeling assumptions that limit their applicability in real-world settings, particularly when data are heavy-tailed or contain a mixture of discrete and continuous variables.…

Methodology · Statistics 2025-11-25 Juraj Bodik , Valérie Chavez-Demoulin

Answering counterfactual queries has important applications such as explainability, robustness, and fairness but is challenging when the causal variables are unobserved and the observations are non-linear mixtures of these latent variables,…

Machine Learning · Computer Science 2024-04-16 Zeyu Zhou , Ruqi Bai , Sean Kulinski , Murat Kocaoglu , David I. Inouye