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We introduce ACEpotentials.jl, a Julia-language software package that constructs interatomic potentials from quantum mechanical reference data using the Atomic Cluster Expansion (Drautz, 2019). As the latter provides a complete description…

Analyzing better time series with limited human effort is of interest to academia and industry. Driven by business scenarios, we organized the first Automated Time Series Regression challenge (AutoSeries) for the WSDM Cup 2020. We present…

Machine Learning · Computer Science 2021-12-28 Zhen Xu , Wei-Wei Tu , Isabelle Guyon

Agent-based models (ABMs) offer a powerful framework for understanding complex systems. However, their computational demands often become a significant barrier as the number of agents and complexity of the simulation increase. Traditional…

Multiagent Systems · Computer Science 2025-10-23 Steffen Fürst , Tim Conrad , Carlo Jaeger , Sarah Wolf

Composing autoregressive models remains a core challenge in understanding how large language models can combine behaviors or skills learned across tasks. We introduce a new and principled composition strategy for autoregressive systems,…

Machine Learning · Computer Science 2026-05-28 Aakash Kumar , Maria Sofia Bucarelli , Emanuele Natale

Julia is a new language for writing data analysis programs that are easy to implement and run at high performance. Similarly, the Dynamic Distributed Dimensional Data Model (D4M) aims to clarify data analysis operations while retaining…

Mathematical Software · Computer Science 2016-12-13 Alexander Chen , Alan Edelman , Jeremy Kepner , Vijay Gadepally , Dylan Hutchison

Modern electric power systems have an increasingly complex structure due to rise in power demand and integration of diverse energy sources. Monitoring these large-scale systems, which relies on efficient state estimation, represents a…

This paper introduces sparse dynamic chain graph models for network inference in high dimensional non-Gaussian time series data. The proposed method parametrized by a precision matrix that encodes the intra time-slice conditional…

Methodology · Statistics 2018-05-28 Pariya Behrouzi , Fentaw Abegaz , Ernst C. Wit

While logistic regression models are easily accessible to researchers, when applied to network data there are unrealistic assumptions made about the dependence structure of the data. For temporal networks measured in discrete time, recent…

Methodology · Statistics 2020-05-20 Daniel K. Sewell

Spatial statistics is a growing discipline providing important analytical techniques in a wide range of disciplines in the natural and social sciences. In the R package GWmodel, we introduce techniques from a particular branch of spatial…

Applications · Statistics 2014-03-18 Isabella Gollini , Binbin Lu , Martin Charlton , Christopher Brunsdon , Paul Harris

This paper focuses on modeling the dynamic attributes of a dynamic network with a fixed number of vertices. These attributes are considered as time series which dependency structure is influenced by the underlying network. They are modeled…

Methodology · Statistics 2019-11-11 Jonas Krampe

Causal discovery in time series is increasingly performed using nonlinear machine-learning models, yet the resulting causal relationships are almost always summarized by scalar edge scores. We argue that this practice obscures the true…

Machine Learning · Computer Science 2026-05-29 Valentina V. Kuskova , Dmitry Zaytsev , Michael Coppedge

Under stringent model type and variable distribution assumptions, differentiable score-based causal discovery methods learn a directed acyclic graph (DAG) from observational data by evaluating candidate graphs over an average score…

Machine Learning · Computer Science 2023-03-07 An Zhang , Fangfu Liu , Wenchang Ma , Zhibo Cai , Xiang Wang , Tat-seng Chua

Multi-output regression models must exploit dependencies between outputs to maximise predictive performance. The application of Gaussian processes (GPs) to this setting typically yields models that are computationally demanding and have…

Machine Learning · Statistics 2019-02-27 James Requeima , Will Tebbutt , Wessel Bruinsma , Richard E. Turner

We introduce Metatheory.jl: a lightweight and performant general purpose symbolics and metaprogramming framework meant to simplify the act of writing complex Julia metaprograms and to significantly enhance Julia with a native term rewriting…

Programming Languages · Computer Science 2021-04-14 Alessandro Cheli

Score-based diffusion models generate samples from an unknown target distribution using a time-reversed diffusion process. While such models represent state-of-the-art approaches in industrial applications such as artificial image…

Machine Learning · Computer Science 2026-02-09 Adrian Baule

In multivariate time series analysis, understanding the underlying causal relationships among variables is often of interest for various applications. Directed acyclic graphs (DAGs) provide a powerful framework for representing causal…

Methodology · Statistics 2025-07-30 Arkaprava Roy , Anindya Roy , Subhashis Ghosal

A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, materials science and more, is the representative sampling of the phase space over long timescales of interest; this task is…

Machine Learning · Computer Science 2023-12-29 Ellis R. Crabtree , Juan M. Bello-Rivas , Ioannis G. Kevrekidis

Building on recent advances in scientific machine learning and generative modeling for computational fluid dynamics, we propose a conditional score-based diffusion model designed for multi-scenarios fluid flow prediction. Our model…

Machine Learning · Computer Science 2025-06-02 Wilfried Genuist , Éric Savin , Filippo Gatti , Didier Clouteau

This paper introduces a score-driven rating system, a generalization of the classical Elo rating system that employs the score, i.e. the gradient of the log-likelihood, as the updating mechanism for player and team ratings. The proposed…

Machine Learning · Computer Science 2026-04-13 Vladimír Holý , Michal Černý

The conditional autoregressive model is a routinely used statistical model for areal data that arise from, for instances, epidemiological, socio-economic or ecological studies. Various multivariate conditional autoregressive models have…

Methodology · Statistics 2019-07-23 Ye Liang
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