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Related papers: Model Design and Representations of CM Sequences

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Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of…

Machine Learning · Computer Science 2025-02-04 Dingling Yao , Caroline Muller , Francesco Locatello

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs…

Machine Learning · Computer Science 2022-12-13 Colin G. Cess , Stacey D. Finley

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this,…

Machine Learning · Computer Science 2026-03-30 Kacper Kapuśniak , Cristian Gabellini , Michael Bronstein , Prudencio Tossou , Francesco Di Giovanni

Causal discovery for both cross-sectional and temporal data has traditionally followed a dataset-specific paradigm, where a new model is fitted for each individual dataset. Such an approach limits the potential of multi-dataset pretraining.…

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

A quantum collision model (CM), also known as repeated interactions model, can be built from the standard microscopic framework where a system S is coupled to a white-noise bosonic bath under the rotating wave approximation, which typically…

Quantum Physics · Physics 2020-02-05 Dario Cilluffo , Francesco Ciccarello

Reversible Markov chains play a central role in stochastic modelling and in algorithms such as Markov chain Monte Carlo (MCMC). Motivated by the fundamental importance of reversibility in classical settings, this paper develops a…

Probability · Mathematics 2025-10-28 Damjan Škulj

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i)…

Machine Learning · Statistics 2018-11-02 Niek Tax , Irene Teinemaa , Sebastiaan J. van Zelst

Replicating chaotic characteristics of non-linear dynamics by machine learning (ML) has recently drawn wide attentions. In this work, we propose that a ML model, trained to predict the state one-step-ahead from several latest historic…

Quantum Physics · Physics 2024-05-15 Sheng-Chen Bai , Shi-Ju Ran

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially…

Machine Learning · Computer Science 2021-10-26 Matej Zečević , Devendra Singh Dhami , Petar Veličković , Kristian Kersting

Monitoring the dynamics processes in combustors is crucial for safe and efficient operations. However, in practice, only limited data can be obtained due to limitations in the measurable quantities, visualization window, and temporal…

Fluid Dynamics · Physics 2021-07-27 Xingyu Su , Weiqi Ji , Long Zhang , Wantong Wu , Zhuyin Ren , Sili Deng

Probabilistic Graphical Models are often used to understand dynamics of a system. They can model relationships between features (nodes) and the underlying distribution. Theoretically these models can represent very complex dependency…

Machine Learning · Computer Science 2023-08-21 Harsh Shrivastava , Urszula Chajewska

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Causal representation learning (CRL) models aim to transform high-dimensional data into a latent space, enabling interventions to generate counterfactual samples or modify existing data based on the causal relationships among latent…

Machine Learning · Computer Science 2026-03-19 Alireza Sadeghi , Wael AbdAlmageed

One of the central elements of any causal inference is an object called structural causal model (SCM), which represents a collection of mechanisms and exogenous sources of random variation of the system under investigation (Pearl, 2000). An…

Machine Learning · Computer Science 2022-10-05 Kevin Xia , Kai-Zhan Lee , Yoshua Bengio , Elias Bareinboim

Dynamic Causal Modeling (DCM) is a Bayesian framework for inferring on hidden (latent) neuronal states, based on measurements of brain activity. Since its introduction in 2003 for functional magnetic resonance imaging data, DCM has been…

Quantitative Methods · Quantitative Biology 2021-04-08 Inês Pereira , Stefan Frässle , Jakob Heinzle , Dario Schöbi , Cao Tri Do , Moritz Gruber , Klaas E. Stephan

A probabilistic model describes a system in its observational state. In many situations, however, we are interested in the system's response under interventions. The class of structural causal models provides a language that allows us to…

Methodology · Statistics 2020-01-20 Jonas Peters , Stefan Bauer , Niklas Pfister

In this work, we present sequence-driven structural causal models (SD-SCMs), a framework for specifying causal models with user-defined structure and language-model-defined mechanisms. We characterize how an SD-SCM enables sampling from…

Computation and Language · Computer Science 2025-09-24 Lucius E. J. Bynum , Kyunghyun Cho

Learning continuously during all model lifetime is fundamental to deploy machine learning solutions robust to drifts in the data distribution. Advances in Continual Learning (CL) with recurrent neural networks could pave the way to a large…

Machine Learning · Computer Science 2021-08-03 Andrea Cossu , Antonio Carta , Vincenzo Lomonaco , Davide Bacciu

This paper discusses causal independence models and a generalization of these models called causal interaction models. Causal interaction models are models that have independent mechanisms where a mechanism can have several causes. In…

Artificial Intelligence · Computer Science 2015-05-19 Christopher Meek , David Heckerman