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The free energy landscapes of several fundamental processes are characterized by high barriers separating long-lived metastable states. In order to explore these type of landscapes enhanced sampling methods are used. While many such methods…

Chemical Physics · Physics 2019-04-12 Jayashrita Debnath , Michele Invernizzi , Michele Parrinello

Learning compact and meaningful latent space representations has been shown to be very useful in generative modeling tasks for visual data. One particular example is applying Vector Quantization (VQ) in variational autoencoders (VQ-VAEs,…

Machine Learning · Computer Science 2024-09-18 Xin Li , Anand Sarwate

Variational Bayes methods are a potential scalable estimation approach for state space models. However, existing methods are inaccurate or computationally infeasible for many state space models. This paper proposes a variational…

Econometrics · Economics 2023-06-05 Rubén Loaiza-Maya , Didier Nibbering

We present a fully probabilistic approach for solving binary optimization problems with black-box objective functions and with budget constraints. In the probabilistic approach, the optimization variable is viewed as a random variable and…

Optimization and Control · Mathematics 2024-06-11 Ahmed Attia

Adaptive importance sampling for stochastic optimization is a promising approach that offers improved convergence through variance reduction. In this work, we propose a new framework for variance reduction that enables the use of mixtures…

Machine Learning · Computer Science 2019-04-01 Zalán Borsos , Sebastian Curi , Kfir Y. Levy , Andreas Krause

Sampling-based motion planning under task constraints is challenging because the null-measure constraint manifold in the configuration space makes rejection sampling extremely inefficient, if not impossible. This paper presents a…

Robotics · Computer Science 2022-04-15 Cihan Acar , Keng Peng Tee

Bayesian optimisation is an adaptive sampling strategy for constructing a Gaussian process surrogate to efficiently search for the global minimum of a black-box computational model. Gaussian processes have limited applicability in…

Applications · Statistics 2025-12-04 Thomas A. Archbold , Ieva Kazlauskaite , Fehmi Cirak

The detection of rare variants is important for understanding the genetic heterogeneity in mixed samples. Recently, next-generation sequencing (NGS) technologies have enabled the identification of single nucleotide variants (SNVs) in mixed…

Genomics · Quantitative Biology 2016-04-25 Fan Zhang , Patrick Flaherty

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

We present a general strategy for turning generative models into candidate solution samplers for batch Bayesian optimization (BO). The use of generative models for BO enables large batch scaling as generative sampling, optimization of…

Machine Learning · Statistics 2026-05-15 Rafael Oliveira , Daniel M. Steinberg , Edwin V. Bonilla

This paper presents an efficient variational inference framework for deriving a family of structured gaussian process regression network (SGPRN) models. The key idea is to incorporate auxiliary inducing variables in latent functions and…

Machine Learning · Computer Science 2021-11-19 Rui Meng , Herbie Lee , Kristofer Bouchard

Variance partitioning methods, which are built upon multivariate statistics, have been widely applied in different taxa and habitats in community ecology. Here, I performed a literature review on the development and application of the…

Populations and Evolution · Quantitative Biology 2014-03-31 Youhua Chen

Models with a large number of latent variables are often used to fully utilize the information in big or complex data. However, they can be difficult to estimate using standard approaches, and variational inference methods are a popular…

Methodology · Statistics 2021-04-20 Rubén Loaiza-Maya , Michael Stanley Smith , David J. Nott , Peter J. Danaher

Linear Mixed Models (LMMs) are important tools in statistical genetics. When used for feature selection, they allow to find a sparse set of genetic traits that best predict a continuous phenotype of interest, while simultaneously correcting…

Modeled along the truncated approach in Panigrahi (2016), selection-adjusted inference in a Bayesian regime is based on a selective posterior. Such a posterior is determined together by a generative model imposed on data and the selection…

Methodology · Statistics 2017-09-12 Snigdha Panigrahi , Jonathan Taylor

Recent advances in neural variational inference have spawned a renaissance in deep latent variable models. In this paper we introduce a generic variational inference framework for generative and conditional models of text. While traditional…

Computation and Language · Computer Science 2016-06-07 Yishu Miao , Lei Yu , Phil Blunsom

Measurement-constrained datasets, often encountered in semi-supervised learning, arise when data labeling is costly, time-intensive, or hindered by confidentiality or ethical concerns, resulting in a scarcity of labeled data. In certain…

Methodology · Statistics 2025-01-15 Yixin Shen , Yang Ning

This paper considers the problem of computing Bayesian estimates of both states and model parameters for nonlinear state-space models. Generally, this problem does not have a tractable solution and approximations must be utilised. In this…

Machine Learning · Statistics 2020-12-15 Jarrad Courts , Johannes Hendriks , Adrian Wills , Thomas Schön , Brett Ninness

Conditional sampling is a fundamental task in Bayesian statistics and generative modeling. Consider the problem of sampling from the posterior distribution $P_{X|Y=y^*}$ for some observation $y^*$, where the likelihood $P_{Y|X}$ is known,…

Methodology · Statistics 2025-10-14 Han Cui , Jingbo Liu

High-dimensional Bayesian variable selection problems are often solved using computationally expensive Markov Chain Montle Carlo (MCMC) techniques. Recently, a Bayesian variable selection technique was developed for continuous data using…

Computation · Statistics 2016-05-19 Patrick McDermott , John Snyder , Rebecca Willison