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Mixup is a highly successful technique to improve generalization of neural networks by augmenting the training data with combinations of random pairs. Selective mixup is a family of methods that apply mixup to specific pairs, e.g. only…

Machine Learning · Computer Science 2023-06-06 Damien Teney , Jindong Wang , Ehsan Abbasnejad

We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models…

Computational Physics · Physics 2013-05-27 Thomas Vogel , Ying Wai Li , Thomas Wüst , David P. Landau

Generative modeling within constrained sets is essential for scientific and engineering applications involving physical, geometric, or safety requirements (e.g., molecular generation, robotics). We present a unified framework for…

Machine Learning · Computer Science 2026-04-21 Kijung Jeon , Michael Muehlebach , Molei Tao

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type…

Machine Learning · Computer Science 2023-06-08 Jonas Köhler , Michele Invernizzi , Pim de Haan , Frank Noé

Diffusion models are powerful generative models but suffer from slow sampling, often taking 1000 sequential denoising steps for one sample. As a result, considerable efforts have been directed toward reducing the number of denoising steps,…

Machine Learning · Computer Science 2023-10-17 Andy Shih , Suneel Belkhale , Stefano Ermon , Dorsa Sadigh , Nima Anari

This article proposes diffusion LMS strategies for distributed estimation over adaptive networks that are able to exploit sparsity in the underlying system model. The approach relies on convex regularization, common in compressive sensing,…

Machine Learning · Computer Science 2015-06-05 Paolo Di Lorenzo , Ali H. Sayed

Normalizing flows are constructed from a base distribution with a known density and a diffeomorphism with a tractable Jacobian. The base density of a normalizing flow can be parameterised by a different normalizing flow, thus allowing maps…

Machine Learning · Computer Science 2022-11-07 Samuel Klein , John Andrew Raine , Tobias Golling

Recent advances in random-walk particle-tracking have enabled direct simulation of mixing and reactions on particles by allowing the particles to interact with each other using a multi-point mass transfer scheme. The mass transfer scheme…

Computational Physics · Physics 2019-04-22 Nicholas B. Engdahl , Michael J. Schmidt , David A. Benson

Normalizing flows transform a latent distribution through an invertible neural network for a flexible and pleasingly simple approach to generative modelling, while preserving an exact likelihood. We propose FlowGMM, an end-to-end approach…

Machine Learning · Computer Science 2020-01-01 Pavel Izmailov , Polina Kirichenko , Marc Finzi , Andrew Gordon Wilson

Efficient equilibrium sampling of molecular conformations remains a core challenge in computational chemistry and statistical inference. Classical approaches such as molecular dynamics or Markov chain Monte Carlo inherently lack…

Despite strong performance in many sequence-to-sequence tasks, autoregressive models trained with maximum likelihood estimation suffer from exposure bias, i.e. the discrepancy between the ground-truth prefixes used during training and the…

Computation and Language · Computer Science 2023-01-11 Michalis Korakakis , Andreas Vlachos

The moments (a.k.a., mean and standard deviation) of latent features are often removed as noise when training image recognition models, to increase stability and reduce training time. However, in the field of image generation, the moments…

Machine Learning · Computer Science 2021-04-01 Boyi Li , Felix Wu , Ser-Nam Lim , Serge Belongie , Kilian Q. Weinberger

Sampling from unnormalized densities using diffusion models has emerged as a powerful paradigm. However, while recent approaches that use least-squares `matching' objectives have improved scalability, they often necessitate significant…

Machine Learning · Computer Science 2026-03-03 Denis Blessing , Lorenz Richter , Julius Berner , Egor Malitskiy , Gerhard Neumann

Stochastic reaction networks that exhibit bistability are common in many fields such as systems biology and materials science. Sampling of the stationary distribution is crucial for understanding and characterizing the long term dynamics of…

Numerical Analysis · Mathematics 2018-01-17 Ting Wang , Petr Plecháč

Normalizing flows, which learn a distribution by transforming the data to samples from a Gaussian base distribution, have proven powerful density approximations. But their expressive power is limited by this choice of the base distribution.…

Machine Learning · Computer Science 2021-07-16 Mike Laszkiewicz , Johannes Lederer , Asja Fischer

Extreme learning machine (ELM) is a network model that arbitrarily initializes the first hidden layer and can be computed speedily. In order to improve the classification performance of ELM, a $\ell_2$ and $\ell_{0.5}$ regularization ELM…

Optimization and Control · Mathematics 2023-01-05 Liangjuan Zhou , Wei Miao

While reinforcement learning (RL) algorithms are achieving state-of-the-art performance in various challenging tasks, they can easily encounter catastrophic forgetting or interference when faced with lifelong streaming information. In the…

Machine Learning · Computer Science 2022-05-24 Zhi Wang , Chunlin Chen , Daoyi Dong

This study focuses on the novel application of a normalizing flow as a method of domain adaptation. Normalizing flows offer a way to transform data points between two different distributions. The present study investigates a method of…

Data Analysis, Statistics and Probability · Physics 2024-05-16 Rowan Kelleher , Anselm Vossen

The recently proposed generative flow networks (GFlowNets) are a method of training a policy to sample compositional discrete objects with probabilities proportional to a given reward via a sequence of actions. GFlowNets exploit the…

Machine Learning · Computer Science 2024-02-27 Daniil Tiapkin , Nikita Morozov , Alexey Naumov , Dmitry Vetrov

We use transductive regression techniques to learn mappings between source and target features of given parallel corpora and use these mappings to generate machine translation outputs. We show the effectiveness of $L_1$ regularized…

Computation and Language · Computer Science 2024-07-01 Ergun Biçici