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The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayesian inference and molecular dynamics. Addressing this, we…

Machine Learning · Statistics 2024-05-30 Wenlin Chen , Mingtian Zhang , Brooks Paige , José Miguel Hernández-Lobato , David Barber

Importance sampling is a rare event simulation technique used in Monte Carlo simulations to bias the sampling distribution towards the rare event of interest. By assigning appropriate weights to sampled points, importance sampling allows…

We describe a new algorithm, VEGAS+, for adaptive multidimensional Monte Carlo integration. The new algorithm adds a second adaptive strategy, adaptive stratified sampling, to the adaptive importance sampling that is the basis for its…

Computational Physics · Physics 2021-05-13 G. Peter Lepage

Modern machine learning tools offer exciting possibilities to qualitatively change the paradigm for new particle searches. In particular, new methods can broaden the search program by gaining sensitivity to unforeseen scenarios by learning…

High Energy Physics - Phenomenology · Physics 2020-10-29 Benjamin Nachman

We propose to apply several gradient estimation techniques to enable the differentiation of programs with discrete randomness in High Energy Physics. Such programs are common in High Energy Physics due to the presence of branching processes…

Machine Learning · Statistics 2023-09-01 Michael Kagan , Lukas Heinrich

Precision measurements at the LHC often require analyzing high-dimensional event data for subtle kinematic signatures, which is challenging for established analysis methods. Recently, a powerful family of multivariate inference techniques…

High Energy Physics - Phenomenology · Physics 2020-01-22 Johann Brehmer , Felix Kling , Irina Espejo , Kyle Cranmer

A new approach for efficiently exploring the configuration space and computing the free energy of large atomic and molecular systems is proposed, motivated by an analogy with reinforcement learning. There are two major components in this…

Chemical Physics · Physics 2018-04-18 Linfeng Zhang , Han Wang , Weinan E

We introduce a novel neural network-based computational pipeline as a representation-agnostic slicer for multi-axis 3D printing. This advanced slicer can work on models with diverse representations and intricate topology. The approach…

Computational Geometry · Computer Science 2024-05-28 Tao Liu , Tianyu Zhang , Yongxue Chen , Yuming Huang , Charlie C. L. Wang

The optimal conversion of a continuous inter-particle potential to a discrete equivalent is considered here. Existing and novel algorithms are evaluated to determine the best technique for creating accurate discrete forms using the minimum…

Soft Condensed Matter · Physics 2014-02-13 Chris Thomson , Leo Lue , Marcus N. Bannerman

3D Gaussian Splatting (3DGS) and Neural Radiance Fields (NeRF) have advanced novel-view synthesis. Recent methods extend multi-view 2D segmentation to 3D, enabling instance/semantic segmentation for better scene understanding. A key…

Computer Vision and Pattern Recognition · Computer Science 2026-01-01 Ankit Dhiman , Srinath R , Jaswanth Reddy , Lokesh R Boregowda , Venkatesh Babu Radhakrishnan

Although physics-informed neural networks(PINNs) have progressed a lot in many real applications recently, there remains problems to be further studied, such as achieving more accurate results, taking less training time, and quantifying the…

Machine Learning · Computer Science 2022-12-01 Bin Shan , Ye Li , Shengjun Huang

Many high-energy-physics (HEP) simulations for the LHC rely on Monte Carlo using importance sampling by means of the VEGAS algorithm. However, complex high-precision calculations have become a challenge for the standard toolbox, as this…

High Energy Physics - Phenomenology · Physics 2024-02-26 Nicolas Deutschmann , Niklas Götz

Annealed importance sampling (AIS) and related algorithms are highly effective tools for marginal likelihood estimation, but are not fully differentiable due to the use of Metropolis-Hastings correction steps. Differentiability is a…

Machine Learning · Statistics 2021-10-28 Guodong Zhang , Kyle Hsu , Jianing Li , Chelsea Finn , Roger Grosse

The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to…

Statistical Mechanics · Physics 2014-08-29 Omar Valsson , Michele Parrinello

We describe how to apply adjoint sensitivity methods to backward Monte-Carlo schemes arising from simulations of particles passing through matter. Relying on this, we demonstrate derivative based techniques for solving inverse problems for…

Computational Physics · Physics 2022-05-11 Roland Grinis

Deep neural networks, when optimized with sufficient data, provide accurate representations of high-dimensional functions; in contrast, function approximation techniques that have predominated in scientific computing do not scale well with…

Data Analysis, Statistics and Probability · Physics 2021-03-15 Grant M. Rotskoff , Andrew R. Mitchell , Eric Vanden-Eijnden

We introduce a model of hadronization based on invertible neural networks that faithfully reproduces a simplified version of the Lund string model for meson hadronization. Additionally, we introduce a new training method for normalizing…

High Energy Physics - Phenomenology · Physics 2024-08-14 Christian Bierlich , Phil Ilten , Tony Menzo , Stephen Mrenna , Manuel Szewc , Michael K. Wilkinson , Ahmed Youssef , Jure Zupan

MadGraph 5 is the new version of the MadGraph matrix element generator, written in the Python programming language. It implements a number of new, efficient algorithms that provide improved performance and functionality in all aspects of…

High Energy Physics - Phenomenology · Physics 2015-05-28 Johan Alwall , Michel Herquet , Fabio Maltoni , Olivier Mattelaer , Tim Stelzer

We introduce dynamic nested sampling: a generalisation of the nested sampling algorithm in which the number of "live points" varies to allocate samples more efficiently. In empirical tests the new method significantly improves calculation…

Computation · Statistics 2019-08-27 Edward Higson , Will Handley , Mike Hobson , Anthony Lasenby

Graph-based procedural materials are ubiquitous in content production industries. Procedural models allow the creation of photorealistic materials with parametric control for flexible editing of appearance. However, designing a specific…

Graphics · Computer Science 2022-07-19 Yiwei Hu , Paul Guerrero , Miloš Hašan , Holly Rushmeier , Valentin Deschaintre
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