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Efficient sampling of the Boltzmann distribution of molecular systems is a long-standing challenge. Recently, instead of generating long molecular dynamics simulations, generative machine learning methods such as normalizing flows have been…

Machine Learning · Computer Science 2024-08-06 Henrik Schopmans , Pascal Friederich

In this paper, we introduce a unified framework, inspired by classical regularization theory, for designing and analyzing a broad class of linear regression approaches. Our framework encompasses traditional methods like least squares…

Statistics Theory · Mathematics 2025-03-04 Ying-Ao Wang , Yunyi Zhang , Ye Zhang

We introduce stochastic normalizing flows, an extension of continuous normalizing flows for maximum likelihood estimation and variational inference (VI) using stochastic differential equations (SDEs). Using the theory of rough paths, the…

Machine Learning · Statistics 2020-02-27 Liam Hodgkinson , Chris van der Heide , Fred Roosta , Michael W. Mahoney

A method is proposed for latticizing a class of supersymmetric gauge theories, including N=4 super Yang-Mills. The technique is inspired by recent work on ``deconstruction''. Part of the target theory's supersymmetry is realized exactly on…

High Energy Physics - Lattice · Physics 2009-11-07 David B. Kaplan

We consider the most general perturbatively renormalizable theory of vector fields in four dimensions with a global SU(N) symmetry and massless couplings. The Lagrangian contains 1 quadratic, 2 cubic and 4 quartic couplings. The RG flow…

High Energy Physics - Theory · Physics 2021-05-26 Daniel Nogradi

We propose a general purpose Bayesian inference algorithm for expensive likelihoods, replacing the stochastic term in the Langevin equation with a deterministic density gradient term. The particle density is evaluated from the current…

Machine Learning · Statistics 2022-10-14 Richard D. P. Grumitt , Biwei Dai , Uros Seljak

Despite their popularity, to date, the application of normalizing flows on categorical data stays limited. The current practice of using dequantization to map discrete data to a continuous space is inapplicable as categorical data has no…

Machine Learning · Computer Science 2021-01-22 Phillip Lippe , Efstratios Gavves

Gaussian Processes (GPs) can be used as flexible, non-parametric function priors. Inspired by the growing body of work on Normalizing Flows, we enlarge this class of priors through a parametric invertible transformation that can be made…

Machine Learning · Computer Science 2021-02-26 Juan Maroñas , Oliver Hamelijnck , Jeremias Knoblauch , Theodoros Damoulas

This work presents gauge-equivariant architectures for flow-based sampling in fermionic lattice field theories using pseudofermions as stochastic estimators for the fermionic determinant. This is the default approach in state-of-the-art…

Machine-learning (ML) techniques provide a new and encouraging perspective for constructing turbulence models for Reynolds-averaged Navier--Stokes (RANS) simulations. In this study, an iterative ML-RANS computational framework is proposed…

Fluid Dynamics · Physics 2021-07-27 Weishuo Liu , Jian Fang , Stefano Rolfo , Charles Moulinec , David R Emerson

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the…

Machine Learning · Computer Science 2023-06-21 Valentyn Melnychuk , Dennis Frauen , Stefan Feuerriegel

Many of the exciting features of the Standard Model of the elementary particles are inherently non-perturbative. A theoretical understanding of many physics aspects beyond the Standard Model of elementary particles also requires a…

High Energy Physics - Lattice · Physics 2024-02-12 Navdeep Singh Dhindsa

The non-perturbative renormalization-group approach is extended to lattice models, considering as an example a $\phi^4$ theory defined on a $d$-dimensional hypercubic lattice. Within a simple approximation for the effective action, we solve…

Statistical Mechanics · Physics 2009-03-02 N. Dupuis , K. Sengupta

We compute the bare step-scaling function $s_b$ for SU(3) lattice gauge theory with $N_f = 12$ massless fundamental fermions, using the non-perturbative Wilson-flow-optimized Monte Carlo Renormalization Group two-lattice matching technique.…

High Energy Physics - Lattice · Physics 2022-09-21 Gregory Petropoulos , Anqi Cheng , Anna Hasenfratz , David Schaich

The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference,…

Machine Learning · Statistics 2016-06-15 Danilo Jimenez Rezende , Shakir Mohamed

We study the well-established problem of finding an optimal routing of unsplittable flows in a graph. While by now there is an extensive body of work targeting the problem on graph classes such as paths and trees, we aim at using the…

Data Structures and Algorithms · Computer Science 2024-10-23 Robert Ganian , Mathis Rocton , Daniel Unterberger

Normalizing flows are an established approach for modelling complex probability densities through invertible transformations from a base distribution. However, the accuracy with which the target distribution can be captured by the…

Machine Learning · Statistics 2024-02-02 Harry Bevins , Will Handley , Thomas Gessey-Jones

The unsupervised task of aligning two or more distributions in a shared latent space has many applications including fair representations, batch effect mitigation, and unsupervised domain adaptation. Existing flow-based approaches estimate…

Machine Learning · Computer Science 2022-03-17 Zeyu Zhou , Ziyu Gong , Pradeep Ravikumar , David I. Inouye

Gradient-flow analyses show that simplified linear transformers can learn the in-context linear-regression algorithm, but they do not explain the finite-step behavior of gradient descent at large learning rates. Motivated by empirical work…

Machine Learning · Statistics 2026-05-21 Krishnakumar Balasubramanian

Recent work has established a path-gradient estimator for simple variational Gaussian distributions and has argued that the path-gradient is particularly beneficial in the regime in which the variational distribution approaches the exact…

Machine Learning · Computer Science 2022-06-22 Lorenz Vaitl , Kim A. Nicoli , Shinichi Nakajima , Pan Kessel
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