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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

Modern reinforcement learning (RL) algorithms have found success by using powerful probabilistic models, such as transformers, energy-based models, and diffusion/flow-based models. To this end, RL researchers often choose to pay the price…

Machine Learning · Computer Science 2025-06-05 Raj Ghugare , Benjamin Eysenbach

Stochastic processes generated by non-stationary distributions are difficult to represent with conventional models such as Gaussian processes. This work presents Recurrent Autoregressive Flows as a method toward general stochastic process…

Machine Learning · Computer Science 2020-06-20 John Mern , Peter Morales , Mykel J. Kochenderfer

In this paper, we explore the potential of generative machine learning models as an alternative to the computationally expensive Monte Carlo (MC) simulations commonly used by the Large Hadron Collider (LHC) experiments. Our objective is to…

High Energy Physics - Experiment · Physics 2023-11-21 Allison Xu , Shuo Han , Xiangyang Ju , Haichen Wang

Machine-learned normalizing flows can be used in the context of lattice quantum field theory to generate statistically correlated ensembles of lattice gauge fields at different action parameters. This work demonstrates how these…

Density estimation, a central problem in machine learning, can be performed using Normalizing Flows (NFs). NFs comprise a sequence of invertible transformations, that turn a complex target distribution into a simple one, by exploiting the…

Machine Learning · Computer Science 2024-01-04 Massimiliano Patacchiola , Aliaksandra Shysheya , Katja Hofmann , Richard E. Turner

Catastrophic forgetting (CF) happens whenever a neural network overwrites past knowledge while being trained on new tasks. Common techniques to handle CF include regularization of the weights (using, e.g., their importance on past tasks),…

Machine Learning · Statistics 2021-08-06 Jary Pomponi , Simone Scardapane , Aurelio Uncini

Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching…

Continuous normalizing flows (CNFs) learn the probability path between a reference distribution and a target distribution by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a…

Methodology · Statistics 2024-10-29 Alberto Cabezas , Louis Sharrock , Christopher Nemeth

We develop a systematic framework for constructing all-bands-flat (ABF) lattice Hamiltonians that explicitly break time-reversal symmetry (TRS). By threading magnetic flux through disconnected polygonal plaquettes and applying local…

Mesoscale and Nanoscale Physics · Physics 2025-12-01 Rohit Kishan Ray , Carlo Danieli , Alexei Andreanov , Sergej Flach

Machine learning techniques, in particular the so-called normalizing flows, are becoming increasingly popular in the context of Monte Carlo simulations as they can effectively approximate target probability distributions. In the case of…

Machine Learning · Computer Science 2024-02-29 Piotr Bialas , Piotr Korcyl , Tomasz Stebel

Sampling from high-dimensional and structured probability distributions is a fundamental challenge in computational physics, particularly in the context of lattice field theory (LFT), where generating field configurations efficiently is…

Quantum Physics · Physics 2026-02-10 Jehu Martinez , Andrea Delgado

Normalizing flows are a class of deep generative models that provide a promising route to sample lattice field theories more efficiently than conventional Monte Carlo simulations. In this work we show that the theoretical framework of…

High Energy Physics - Lattice · Physics 2022-07-07 Michele Caselle , Elia Cellini , Alessandro Nada , Marco Panero

Conditional Flow Matching (CFM), a simulation-free method for training continuous normalizing flows, provides an efficient alternative to diffusion models for key tasks like image and video generation. The performance of CFM in solving…

Machine Learning · Computer Science 2026-03-17 Aram Davtyan , Leello Tadesse Dadi , Volkan Cevher , Paolo Favaro

Local entropic loss functions provide a versatile framework to define architecture-aware regularization procedures. Besides the possibility of being anisotropic in the synaptic space, the local entropic smoothening of the loss function can…

Disordered Systems and Neural Networks · Physics 2021-07-29 Daniele Musso

Normalizing flows (NF) use a continuous generator to map a simple latent (e.g. Gaussian) distribution, towards an empirical target distribution associated with a training data set. Once trained by minimizing a variational objective, the…

Machine Learning · Statistics 2023-05-23 Florentin Coeurdoux , Nicolas Dobigeon , Pierre Chainais

Deep generative models for anomaly detection in multivariate time-series are typically trained by maximizing data likelihood. However, likelihood in observation space measures marginal density rather than conformity to structured temporal…

Artificial Intelligence · Computer Science 2026-03-13 David Baumgartner , Eliezer de Souza da Silva , Iñigo Urteaga

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

Normalizing flows are machine-learned maps between different lattice theories which can be used as components in exact sampling and inference schemes. Ongoing work yields increasingly expressive flows on gauge fields, but it remains an open…

In order to sample from an unnormalized probability density function, we propose to combine continuous normalizing flows (CNFs) with rejection-resampling steps based on importance weights. We relate the iterative training of CNFs with…

Machine Learning · Statistics 2025-08-14 Johannes Hertrich , Robert Gruhlke