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Precise physical descriptions of molecules can be obtained by solving the Schrodinger equation; however, these calculations are intractable and even approximations can be cumbersome. Force fields, which estimate interatomic potentials based…

Chemical Physics · Physics 2020-12-15 Peter Nekrasov , Jessica Freeze , Victor Batista

Graph Convolutional Networks (GCNs) have achieved impressive empirical advancement across a wide variety of semi-supervised node classification tasks. Despite their great success, training GCNs on large graphs suffers from computational and…

Machine Learning · Computer Science 2021-11-02 Weilin Cong , Morteza Ramezani , Mehrdad Mahdavi

The generative priors of pre-trained latent diffusion models (DMs) have demonstrated great potential to enhance the visual quality of image super-resolution (SR) results. However, the noise sampling process in DMs introduces randomness in…

Image and Video Processing · Electrical Eng. & Systems 2024-09-26 Lingchen Sun , Rongyuan Wu , Jie Liang , Zhengqiang Zhang , Hongwei Yong , Lei Zhang

The restricted Boltzmann machine (RBM) is a flexible tool for modeling complex data, however there have been significant computational difficulties in using RBMs to model high-dimensional multinomial observations. In natural language…

Machine Learning · Computer Science 2012-07-06 George E. Dahl , Ryan P. Adams , Hugo Larochelle

A key feature of magnetic resonance (MR) imaging is its ability to manipulate how the intrinsic tissue parameters of the anatomy ultimately contribute to the contrast properties of the final, acquired image. This flexibility, however, can…

Computer Vision and Pattern Recognition · Computer Science 2018-11-20 Dzung L. Pham , Snehashis Roy

Gibbs sampling is a widely popular Markov chain Monte Carlo algorithm that can be used to analyze intractable posterior distributions associated with Bayesian hierarchical models. There are two standard versions of the Gibbs sampler: The…

Statistics Theory · Mathematics 2020-01-01 Grant Backlund , James P. Hobert , Yeun Ji Jung , Kshitij Khare

Gaussian Boson Sampling (GBS) generate random samples of photon-click patterns from a class of probability distributions that are hard for a classical computer to sample from. Despite heroic demonstrations for quantum supremacy using GBS,…

Quantum Physics · Physics 2024-02-07 Mushkan Sureka , Saikat Guha

Restricted Boltzmann Machines and Deep Belief Networks have been successfully used in probabilistic generative model applications such as image occlusion removal, pattern completion and motion synthesis. Generative inference in such…

Neural and Evolutionary Computing · Computer Science 2016-02-22 Ojash Neopane , Srinjoy Das , Ery Arias-Castro , Kenneth Kreutz-Delgado

Denoising diffusion models have driven significant progress in the field of Bayesian inverse problems. Recent approaches use pre-trained diffusion models as priors to solve a wide range of such problems, only leveraging inference-time…

Machine Learning · Statistics 2025-02-06 Yazid Janati , Badr Moufad , Mehdi Abou El Qassime , Alain Durmus , Eric Moulines , Jimmy Olsson

In this work, we investigate Gaussian Mixture Models ({\it abbrv} GMM) and the related problem of non parametric maximum likelihood estimation ({\it abbrv} NPMLE) from the perspective of statistical mechanics. In particular, we establish…

Statistics Theory · Mathematics 2026-03-25 Subhroshekhar Ghosh , Adityanand Guntuboyina , Satyaki Mukherjee , Hoang-Son Tran

P-splines provide a flexible setting for modeling nonlinear model components based on a discretized penalty structure with a relatively simple computational backbone. Under a Bayesian inferential framework based on Markov chain Monte Carlo,…

Methodology · Statistics 2025-11-03 Oswaldo Gressani , Paul H. C. Eilers

We introduce a novel relaxation of combinatorial discrepancy called Gaussian discrepancy, whereby binary signings are replaced with correlated standard Gaussian random variables. This relaxation effectively reformulates an optimization…

Discrete Mathematics · Computer Science 2022-08-11 Sinho Chewi , Patrik Gerber , Philippe Rigollet , Paxton Turner

Astronomical data often suffer from noise and incompleteness. We extend the common mixtures-of-Gaussians density estimation approach to account for situations with a known sample incompleteness by simultaneous imputation from the current…

Instrumentation and Methods for Astrophysics · Physics 2020-09-17 Peter Melchior , Andy D. Goulding

Exponential family models, generalized linear models (GLMs), generalized linear mixed models (GLMMs) and generalized additive models (GAMs) are widely used methods in statistics. However, many scientific applications necessitate constraints…

Methodology · Statistics 2022-12-23 Benny Ren , Jeffrey Morris , Ian Barnett

Many computer vision applications involve modeling complex spatio-temporal patterns in high-dimensional motion data. Recently, restricted Boltzmann machines (RBMs) have been widely used to capture and represent spatial patterns in a single…

Computer Vision and Pattern Recognition · Computer Science 2017-10-24 Siqi Nie , Ziheng Wang , Qiang Ji

Restricted Boltzmann Machines (RBMs) are a class of generative neural network that are typically trained to maximize a log-likelihood objective function. We argue that likelihood-based training strategies may fail because the objective does…

Machine Learning · Statistics 2018-04-25 Charles K. Fisher , Aaron M. Smith , Jonathan R. Walsh

For numerous parameter and state estimation problems, assimilating new data as they become available can help produce accurate and fast inference of unknown quantities. While most existing algorithms for solving those kind of ill-posed…

Numerical Analysis · Mathematics 2022-07-28 Neil K. Chada , Marco A. Iglesias , Shuai Lu , Frank Werner

Graphical Transformation Models (GTMs) are introduced as a novel approach to effectively model multivariate data with intricate marginals and complex dependency structures semiparametrically, while maintaining interpretability through the…

Methodology · Statistics 2025-08-28 Matthias Herp , Johannes Brachem , Michael Altenbuchinger , Thomas Kneib

3D Gaussian Splatting has demonstrated notable success in large-scale scene reconstruction, but challenges persist due to high training memory consumption and storage overhead. Hybrid representations that integrate implicit and explicit…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Jixuan Fan , Wanhua Li , Yifei Han , Tianru Dai , Yansong Tang

3D Gaussian Splatting (3D-GS) has emerged as an efficient 3D representation and a promising foundation for semantic tasks like segmentation. However, existing 3D-GS-based segmentation methods typically rely on high-dimensional category…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 An Yang , Chenyu Liu , Jun Du , Jianqing Gao , Jia Pan , Jinshui Hu , Baocai Yin , Bing Yin , Cong Liu