相关论文: Learning Boltzmann Generators via Constrained Mass…

The Boltzmann model for the random generation of "decomposable" combinatorial structures is a set of techniques that allows for efficient random sampling algorithms for a large class of families of discrete objects. The usual requirement of…

We consider the problem of sampling transition paths between two given metastable states of a molecular system, e.g. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy…

The Restricted Boltzmann Machine (RBM), an important tool used in machine learning in particular for unsupervized learning tasks, is investigated from the perspective of its spectral properties. Starting from empirical observations, we…

Chance-constrained motion planning requires uncertainty in dynamics to be propagated into uncertainty in state. When nonlinear models are used, Gaussian assumptions on the state distribution do not necessarily apply since almost all random…

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…

This paper addresses the mode collapse for generative adversarial networks (GANs). We view modes as a geometric structure of data distribution in a metric space. Under this geometric lens, we embed subsamples of the dataset from an…

Gaussian mixtures are widely used for approximating density functions in various applications such as density estimation, belief propagation, and Bayesian filtering. These applications often utilize Gaussian mixtures as initial…

The emergence of data-driven demand analysis has led to the increased use of generative modelling to learn the probabilistic dependencies between random variables. Although their apparent use has mostly been limited to image recognition and…

Monte Carlo (MC) generators are crucial for analyzing data in particle collider experiments. However, often even a small mismatch between the MC simulations and the measurements can undermine the interpretation of the results. This is…

We prove theoretically that generalization improves not only through data scaling but also by compressing internal representations. To operationalize this insight, we introduce the Information Bottleneck Language Modeling (IBLM) objective,…

Conditional Optimal Transport (COT) problem aims to find a transport map between conditional source and target distributions while minimizing the transport cost. Recently, these transport maps have been utilized in conditional generative…

Parallel stochastic gradient methods are gaining prominence in solving large-scale machine learning problems that involve data distributed across multiple nodes. However, obtaining unbiased stochastic gradients, which have been the focus of…

Optimal mass transport, also known as the earth mover's problem, is an optimization problem with important applications in various disciplines, including economics, probability theory, fluid dynamics, cosmology and geophysics to cite a few.…

Restricted Boltzmann Machines (RBM) are bi-layer neural networks used for the unsupervised learning of model distributions from data. The bipartite architecture of RBM naturally defines an elegant sampling procedure, called Alternating…

Energy-based models are popular in machine learning due to the elegance of their formulation and their relationship to statistical physics. Among these, the Restricted Boltzmann Machine (RBM), and its staple training algorithm contrastive…

Many applications, including climate-model analysis and stochastic weather generators, require learning or emulating the distribution of a high-dimensional and non-Gaussian spatial field based on relatively few training samples. To address…

Geometric frustration gives rise to emergent quantum phenomena and exotic phases of matter. While Monte Carlo methods are traditionally used to simulate such systems, their sampling efficiency is limited by the complexity of interactions…

Connecting optimal transport and variational inference, we present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of the…

Classification of sequence data is the topic of interest for dynamic Bayesian models and Recurrent Neural Networks (RNNs). While the former can explicitly model the temporal dependencies between class variables, the latter have a capability…

Conditional restricted Boltzmann machines are undirected stochastic neural networks with a layer of input and output units connected bipartitely to a layer of hidden units. These networks define models of conditional probability…