Related papers: Mitigating mode collapse in normalizing flows by a…

Normalizing flows have recently demonstrated the ability to learn the Boltzmann distribution of the Hubbard model, opening new avenues for generative modeling in condensed matter physics. In this work, we investigate the steps required to…

Machine Learning (ML) models in Robotic Assembly Sequence Planning (RASP) need to be introspective on the predicted solutions, i.e. whether they are feasible or not, to circumvent potential efficiency degradation. Previous works need both…

The Effective Sample Size (ESS) and Integrated Autocorrelation Time (IACT) are two popular criteria for comparing Markov Chain Monte Carlo (MCMC) algorithms and detecting their convergence. Our goal is to assess those two quantities in the…

Given a target distribution $\mu \propto e^{-\mathcal{H}}$ to sample from with Hamiltonian $\mathcal{H}$, in this paper we propose and analyze new Metropolis-Hastings sampling algorithms that target an alternative distribution…

Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…

The task of detecting anomalous data patterns is as important in practical applications as challenging. In the context of spatial data, recognition of unexpected trajectories brings additional difficulties, such as high dimensionality and…

The frequency-domain approach (FDA) to transient analysis of the boundary element method, although is appealing for engineering applications, is computationally expensive. This paper proposes a novel adaptive frequency sampling (AFS)…

We propose Continual Repeated Annealed Flow Transport Monte Carlo (CRAFT), a method that combines a sequential Monte Carlo (SMC) sampler (itself a generalization of Annealed Importance Sampling) with variational inference using normalizing…

We propose nested sequential Monte Carlo (NSMC), a methodology to sample from sequences of probability distributions, even where the random variables are high-dimensional. NSMC generalises the SMC framework by requiring only approximate,…

We present a computational framework for efficient learning, sampling, and distribution of general Bayesian posterior distributions. The framework leverages a machine learning approach for the construction of normalizing flows for the…

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…

Estimating the expectation of a real-valued function of a random variable from sample data is a critical aspect of statistical analysis, with far-reaching implications in various applications. Current methodologies typically assume…

Training an energy-based model (EBM) with maximum likelihood is challenging due to the intractable normalisation constant. Traditional methods rely on expensive Markov chain Monte Carlo (MCMC) sampling to estimate the gradient of logartihm…

Sampling a diverse set of high-quality solutions for hard optimization problems is of great practical relevance in many scientific disciplines and applications, such as artificial intelligence and operations research. One of the main open…

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform…

This paper presents and analyzes two robust, efficient, and optimally accurate fully discrete finite element algorithms for computing the parameterized Navier-Stokes Equations (NSEs) flow ensemble. The timestepping algorithms are…

Data assimilation (DA) estimates a dynamical system's state from noisy observations. Recent generative models like the ensemble score filter (EnSF) improve DA in high-dimensional nonlinear settings but are computationally expensive. We…

We present a novel method for sampling iso-likelihood contours in nested sampling using a type of machine learning algorithm known as normalising flows and incorporate it into our sampler nessai. Nessai is designed for problems where…

Annealing algorithms such as simulated annealing and population annealing are widely used both for sampling the Gibbs distribution and solving optimization problems (i.e. finding ground states). For both statistical mechanics and…

Ensemble methods are known for enhancing the accuracy and robustness of machine learning models by combining multiple base learners. However, standard approaches like greedy or random ensembling often fall short, as they assume a constant…