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Representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates (corresponding of different orders of coupling) are useful in quantum dynamics and other applications, especially where…

Machine Learning · Computer Science 2024-06-26 Sergei Manzhos , Manabu Ihara

Marginal log-linear (MLL) models provide a flexible approach to multivariate discrete data. MLL parametrizations under linear constraints induce a wide variety of models, including models defined by conditional independences. We introduce a…

Methodology · Statistics 2013-08-16 Robin J. Evans , Thomas S. Richardson

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…

Machine Learning · Computer Science 2025-05-13 Zimo Yan , Jie Zhang , Zheng Xie , Chang Liu , Yizhen Liu , Yiping Song

We propose a Markov chain Monte Carlo (MCMC) scheme to perform state inference in non-linear non-Gaussian state-space models. Current state-of-the-art methods to address this problem rely on particle MCMC techniques and its variants, such…

Computation · Statistics 2019-05-15 Alexander Y. Shestopaloff , Arnaud Doucet

Linear structural equation models represent direct causal effects as directed edges and confounding factors as bidirected edges. An open problem is to identify the causal parameters from correlations between the nodes. We investigate…

Artificial Intelligence · Computer Science 2022-03-07 Benito van der Zander , Marcel Wienöbst , Markus Bläser , Maciej Liśkiewicz

Large language models (LLMs) have shown potential in identifying qualitative causal relations, but their ability to perform quantitative causal reasoning -- estimating effect sizes that parametrize functional relationships -- remains…

The use of directed acyclic graphs (DAGs) to represent conditional independence relations among random variables has proved fruitful in a variety of ways. Recursive structural equation models are one kind of DAG model. However,…

Artificial Intelligence · Computer Science 2013-02-21 Peter L. Spirtes

Learning causal relationships from empirical observations is a central task in scientific research. A common method is to employ structural causal models that postulate noisy functional relations among a set of interacting variables. To…

Machine Learning · Statistics 2023-09-11 Grigor Keropyan , David Strieder , Mathias Drton

Markov chain Monte Carlo (MCMC) allows one to generate dependent replicates from a posterior distribution for effectively any Bayesian hierarchical model. However, MCMC can produce a significant computational burden. This motivates us to…

Methodology · Statistics 2023-05-22 Jonathan R. Bradley , Madelyn Clinch

Deep sequence models are receiving significant interest in current machine learning research. By representing probability distributions that are fit to data using maximum likelihood estimation, such models can model data on general…

Systems and Control · Electrical Eng. & Systems 2024-09-09 Kristian Løvland , Bjarne Grimstad , Lars Struen Imsland

Dynamic linear models (DLM) offer a very generic framework to analyse time series data. Many classical time series models can be formulated as DLMs, including ARMA models and standard multiple linear regression models. The models can be…

Methodology · Statistics 2019-08-20 Marko Laine

Model checking is a key technique for verifying safety-critical systems against formal specifications, where recent applications of deep learning have shown promise. However, while ubiquitous for vision and language domains, representation…

Machine Learning · Computer Science 2025-10-07 Vladimir Krsmanovic , Matthias Cosler , Mohamed Ghanem , Bernd Finkbeiner

Undirected graphical models have been successfully used to jointly model the spatial and the spectral dependencies in earth observing hyperspectral images. They produce less noisy, smooth, and spatially coherent land cover maps and give top…

Computer Vision and Pattern Recognition · Computer Science 2018-12-05 Utsav B. Gewali , Sildomar T. Monteiro

Machine learning models are frequently used to solve complex security problems, as well as to make decisions in sensitive situations like guiding autonomous vehicles or predicting financial market behaviors. Previous efforts have shown that…

Cryptography and Security · Computer Science 2016-04-29 Nicolas Papernot , Patrick McDaniel , Ananthram Swami , Richard Harang

Practitioners successfully use hidden Markov chains (HMCs) in different problems for about sixty years. HMCs belong to the family of generative models and they are often compared to discriminative models, like conditional random fields…

Machine Learning · Statistics 2021-11-16 Elie Azeraf , Emmanuel Monfrini , Wojciech Pieczynski

Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible…

Chemical Physics · Physics 2018-06-13 Manuel Dibak , Mauricio J. del Razo , David De Sancho , Christof Schütte , Frank Noé

In online advertising, marketing mix modeling (MMM) is employed to predict the gross merchandise volume (GMV) of brand shops and help decision-makers to adjust the budget allocation of various advertising channels. Traditional MMM methods…

Artificial Intelligence · Computer Science 2024-06-25 Chang Gong , Di Yao , Lei Zhang , Sheng Chen , Wenbin Li , Yueyang Su , Jingping Bi

Sequence-based modeling broadly refers to algorithms that act on data that is represented as an ordered set of input elements. In particular, Machine Learning algorithms with sequences as inputs have seen successfull applications to…

Data Analysis, Statistics and Probability · Physics 2021-02-12 Rafael Teixeira de Lima

Continual learning is essential for real-world deployment when there is a need to quickly adapt the model to new tasks without forgetting knowledge of old tasks. Existing work on continual sequence generation either always reuses existing…

Computation and Language · Computer Science 2022-04-06 Yanzhe Zhang , Xuezhi Wang , Diyi Yang

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney