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Process malleability has proved to have a highly positive impact on the resource utilization and global productivity in data centers compared with the conventional static resource allocation policy. However, the non-negligible additional…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-30 Sergio Iserte , Rafael Mayo , Enrique S. Quintana-Ortí , Antonio J. Peña

Continuous-time Markov chains are used to model stochastic systems where transitions can occur at irregular times, e.g., birth-death processes, chemical reaction networks, population dynamics, and gene regulatory networks. We develop a…

Machine Learning · Statistics 2022-12-13 Majerle Reeves , Harish S. Bhat

Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of…

Quantum Physics · Physics 2021-09-08 Dominik S. Wild , Dries Sels , Hannes Pichler , Cristian Zanoci , Mikhail D. Lukin

In molecular dynamics (MD) simulations, accessing transition probabilities between states is crucial for understanding kinetic information, such as reaction paths and rates. However, standard MD simulations are hindered by the capacity to…

Chemical Physics · Physics 2025-08-07 Yanbin Wang , Jakub Rydzewski , Ming Chen

Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT).…

The COVID-19 pandemic has been characterised by multiple waves of transmission driven by interventions and emerging variants, challenging epidemic models that assume gradually evolving transmission dynamics. We propose a class of…

Applications · Statistics 2026-05-05 Patrick Aschermayr , Konstantinos Kalogeropoulos , Nikolaos Demiris

We introduce EvoLib, a test-time learning framework that enables large language models to accumulate, reuse, and evolve knowledge across problem instances without parameter updates or external supervision. Instead of adapting model…

Machine Learning · Computer Science 2026-05-15 Weijia Xu , Alessandro Sordoni , Chandan Singh , Zelalem Gero , Michel Galley , Xingdi Yuan , Jianfeng Gao

We present Glyph - a Python package for genetic programming based symbolic regression. Glyph is designed for usage let by numerical simulations let by real world experiments. For experimentalists, glyph-remote provides a separation of…

Mathematical Software · Computer Science 2018-03-22 Markus Quade , Julien Gout , Markus Abel

The initial transient phase of an emerging epidemic is of critical importance for data-driven model building, model-based prediction of the epidemic trend, and articulation of control/prevention strategies. In principle, quantitative models…

Physics and Society · Physics 2023-07-06 Mi Feng , Liang Tian , Ying-Cheng Lai , Changsong Zhou

Jump Markov linear models consists of a finite number of linear state space models and a discrete variable encoding the jumps (or switches) between the different linear models. Identifying jump Markov linear models makes for a challenging…

Computation · Statistics 2015-02-17 Andreas Svensson , Thomas B. Schön , Fredrik Lindsten

\texttt{Mixture-Models} is an open-source Python library for fitting Gaussian Mixture Models (GMM) and their variants, such as Parsimonious GMMs, Mixture of Factor Analyzers, MClust models, Mixture of Student's t distributions, etc. It…

Computation · Statistics 2024-02-19 Siva Rajesh Kasa , Hu Yijie , Santhosh Kumar Kasa , Vaibhav Rajan

The Metropolis algorithm is a Markov chain Monte Carlo (MCMC) algorithm used to simulate from parameter distributions of interest, such as generalized linear model parameters. The "Metropolis step" is a keystone concept that underlies…

Computation · Statistics 2023-08-31 Alexander P Keil , Jessie K Edwards , Ashley I Naimi , Stephen R Cole

We introduce a generalization of the Adaptive Multilevel Splitting algorithm in the discrete time dynamic setting, namely when it is applied to sample rare events associated with paths of Markov chains. By interpreting the algorithm as a…

The yaglm package aims to make the broader ecosystem of modern generalized linear models accessible to data analysts and researchers. This ecosystem encompasses a range of loss functions (e.g. linear, logistic, quantile regression),…

Computation · Statistics 2021-10-13 Iain Carmichael , Thomas Keefe , Naomi Giertych , Jonathan P Williams

Infectious disease transmission is often modelled by discrete-valued stochastic state-transition processes. Due to a lack of complete data, Bayesian inference for these models often relies on data-augmentation techniques. These techniques…

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms to estimate system…

Quantitative Methods · Quantitative Biology 2016-05-20 Christopher Lester , Christian A. Yates , Michael B. Giles , Ruth E. Baker

Gem5, an open-source, flexible, and cost-effective simulator, is widely recognized and utilized in both academic and industry fields for hardware simulation. However, the typically time-consuming nature of simulating programs on Gem5…

Hardware Architecture · Computer Science 2023-10-11 Tian Yan , Xueyang Li , Sifat Ut Taki , Saeid Mehrdad

This article presents GenSQL, a probabilistic programming system for querying probabilistic generative models of database tables. By augmenting SQL with only a few key primitives for querying probabilistic models, GenSQL enables complex…

In the infectious disease literature, significant effort has been devoted to studying dynamics at a single scale. For example, compartmental models describing population-level dynamics are often formulated using differential equations. In…

Populations and Evolution · Quantitative Biology 2025-04-16 Yuan Yin , Jennifer A. Flegg , Mark B. Flegg

Switching dynamical systems can model complicated time series data while maintaining interpretability by inferring a finite set of dynamics primitives and explaining different portions of the observed time series with one of these…

Machine Learning · Computer Science 2025-09-29 Yiliu Wang , Timothy Doyeon Kim , Eric Shea-Brown , Uygar Sümbül