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We demonstrate that deep learning techniques can be used to predict motility induced phase separation (MIPS) in suspensions of active Brownian particles (ABPs) by creating a notion of phase at the particle level. Using a fully connected…

Soft Condensed Matter · Physics 2020-11-19 Austin R. Dulaney , John F. Brady

BayesOpt is a library with state-of-the-art Bayesian optimization methods to solve nonlinear optimization, stochastic bandits or sequential experimental design problems. Bayesian optimization is sample efficient by building a posterior…

Machine Learning · Computer Science 2014-05-30 Ruben Martinez-Cantin

We describe BayesMix, a C++ library for MCMC posterior simulation for general Bayesian mixture models. The goal of BayesMix is to provide a self-contained ecosystem to perform inference for mixture models to computer scientists,…

Computation · Statistics 2022-05-18 Mario Beraha , Bruno Guindani , Matteo Gianella , Alessandra Guglielmi

There are high technological and software demands associated with conducting brain-computer interface (BCI) research. In order to accelerate the development and accessibility of BCI, it is worthwhile to focus on open-source and desired…

Human-Computer Interaction · Computer Science 2020-02-18 Tab Memmott , Aziz Koçanaoğulları , Matthew Lawhead , Daniel Klee , Shiran Dudy , Melanie Fried-Oken , Barry Oken

The Behavior-Interaction-Priority (BIP) framework, rooted in rigorous semantics, allows the construction of systems that are correct-by-design. BIP has been effectively used for the construction and analysis of large systems such as robot…

Software Engineering · Computer Science 2019-11-20 Anastasia Mavridou , Joseph Sifakis , Janos Sztipanovits

The Behavior-Interaction-Priority (BIP) framework, rooted in rigorous semantics, allows the construction of systems that are correct-by-design. BIP has been effectively used for the construction and analysis of large systems such as robot…

Software Engineering · Computer Science 2018-06-04 Anastasia Mavridou , Joseph Sifakis , Janos Sztipanovits

MultiBUGS (https://www.multibugs.org) is a new version of the general-purpose Bayesian modelling software BUGS that implements a generic algorithm for parallelising Markov chain Monte Carlo (MCMC) algorithms to speed up posterior inference…

Computation · Statistics 2020-10-09 Robert J. B. Goudie , Rebecca M. Turner , Daniela De Angelis , Andrew Thomas

The ionic environment of biomolecules strongly influences their structure, conformational stability, and inter-molecular interactions.This paper introduces GIBS, a grand-canonical Monte Carlo (GCMC) simulation program for computing the…

Biomolecules · Quantitative Biology 2017-08-07 Dennis G. Thomas , Nathan A. Baker

The use of Bayesian adaptive designs for randomised controlled trials has been hindered by the lack of software readily available to statisticians. We have developed a new software package (Bayesian Adaptive Trials Simulator Software -…

When partitioning workflows in realistic scenarios, the knowledge of the processing units is often vague or unknown. A naive approach to addressing this issue is to perform many controlled experiments for different workloads, each…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-03 Freddy C. Chua , Bernardo A. Huberman

Khiops is an open source machine learning tool designed for mining large multi-table databases. Khiops is based on a unique Bayesian approach that has attracted academic interest with more than 20 publications on topics such as variable…

Machine Learning Interatomic Potentials (MLIPs) are becoming a central tool in simulation-based chemistry. However, like most deep learning models, MLIPs struggle to make accurate predictions on out-of-distribution data or when trained in a…

Machine Learning · Computer Science 2026-01-19 Dario Coscia , Pim de Haan , Max Welling

Bayesian inference affords scientists with powerful tools for testing hypotheses. One of these tools is the Bayes factor, which indexes the extent to which support for one hypothesis over another is updated after seeing the data. Part of…

Computation · Statistics 2018-12-11 Thomas J. Faulkenberry

Contemporary product analytics systems require users to pose explicit queries, such as writing SQL, configuring dashboards, or constructing funnels, before insights can surface. This pull-based paradigm creates a bottleneck: it requires…

Information Retrieval · Computer Science 2026-04-29 Arun Patra , Bhushan Vadgave

This study proposes the novel Bayesian and inverse Bayesian (BIB) inference framework that incorporates symmetry bias into the Bayesian updating process to perform both conventional and inverse Bayesian updates concurrently. Conventional…

Scientists and engineers use simulators to model empirically observed phenomena. However, tuning the parameters of a simulator to ensure its outputs match observed data presents a significant challenge. Simulation-based inference (SBI)…

BISM (Bytecode-Level Instrumentation for Software Monitoring) is a lightweight bytecode instrumentation tool that features an expressive high-level control-flow-aware instrumentation language. The language follows the aspect-oriented…

Programming Languages · Computer Science 2020-07-16 Chukri Soueidi , Ali Kassem , Yliès Falcone

We present SPUX - a modular framework for Bayesian inference enabling uncertainty quantification and propagation in linear and nonlinear, deterministic and stochastic models, and supporting Bayesian model selection. SPUX can be coupled to…

Computation · Statistics 2021-05-14 Jonas Šukys , Marco Bacci

We introduce a library called Push that takes a probabilistic programming approach to Bayesian deep learning (BDL). This library enables concurrent execution of BDL inference algorithms on multi-GPU hardware for neural network (NN) models.…

Machine Learning · Computer Science 2023-10-03 Daniel Huang , Chris Camaño , Jonathan Tsegaye , Jonathan Austin Gale

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a…