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Extracting consistent statistics between relevant free-energy minima of a molecular system is essential for physics, chemistry and biology. Molecular dynamics (MD) simulations can aid in this task but are computationally expensive,…

化学物理 · 物理学 2024-04-17 Ana Molina-Taborda , Pilar Cossio , Olga Lopez-Acevedo , Marylou Gabrié

We present an efficient classical algorithm for training deep Boltzmann machines (DBMs) that uses rejection sampling in concert with variational approximations to estimate the gradients of the training objective function. Our algorithm is…

机器学习 · 计算机科学 2015-07-10 Nathan Wiebe , Ashish Kapoor , Christopher Granade , Krysta M Svore

Restricted Boltzmann Machine (RBM) is a bipartite graphical model that is used as the building block in energy-based deep generative models. Due to numerical stability and quantifiability of the likelihood, RBM is commonly used with…

机器学习 · 统计学 2016-11-15 Chun-Liang Li , Siamak Ravanbakhsh , Barnabas Poczos

Generative modeling with machine learning has provided a new perspective on the data-driven task of reconstructing quantum states from a set of qubit measurements. As increasingly large experimental quantum devices are built in…

A restricted Boltzmann machine (RBM) is a generative neural-network model with many novel applications such as collaborative filtering and acoustic modeling. An RBM lacks the capacity to retain memory, making it inappropriate for dynamic…

机器学习 · 统计学 2018-05-01 Jefferson Hernandez , Andres G. Abad

We present transductive Boltzmann machines (TBMs), which firstly achieve transductive learning of the Gibbs distribution. While exact learning of the Gibbs distribution is impossible by the family of existing Boltzmann machines due to…

机器学习 · 统计学 2018-05-22 Mahito Sugiyama , Koji Tsuda , Hiroyuki Nakahara

Graphical models are a rich language for describing high-dimensional distributions in terms of their dependence structure. While there are algorithms with provable guarantees for learning undirected graphical models in a variety of…

机器学习 · 计算机科学 2018-11-07 Guy Bresler , Frederic Koehler , Ankur Moitra , Elchanan Mossel

We propose a new approach to combine Restricted Boltzmann Machines (RBMs) that can be used to solve combinatorial optimization problems. This allows synthesis of larger models from smaller RBMs that have been pretrained, thus effectively…

机器学习 · 计算机科学 2019-09-10 Saavan Patel , Sayeef Salahuddin

Machine learning is becoming widely used in analyzing the thermodynamics of many-body condensed matter systems. Restricted Boltzmann Machine (RBM) aided Monte Carlo simulations have sparked interest recently, as they manage to speed up…

统计力学 · 物理学 2021-01-22 Daniel Alcalde Puente , Ilya M. Eremin

The Lattice Boltzmann method (LBM) offers a powerful and versatile approach to simulating diverse hydrodynamic phenomena, spanning microfluidics to aerodynamics. The vast range of spatiotemporal scales inherent in these systems currently…

流体动力学 · 物理学 2025-04-22 Paul Fischer , Sebastian Kaltenbach , Sergey Litvinov , Sauro Succi , Petros Koumoutsakos

Restricted Boltzmann Machines (RBMs) are probabilistic generative models that can be trained by maximum likelihood in principle, but are usually trained by an approximate algorithm called Contrastive Divergence (CD) in practice. In general,…

机器学习 · 计算机科学 2022-11-07 Charles K. Fisher

Efficient sampling from high-dimensional and multimodal unnormalized probability distributions is a central challenge in many areas of science and machine learning. We focus on Boltzmann generators (BGs) that aim to sample the Boltzmann…

Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann…

机器学习 · 计算机科学 2020-07-28 Surbhi Goel , Adam Klivans , Frederic Koehler

Score-based generative models have recently achieved remarkable success. While they are usually parameterized by the score, an alternative way is to use a series of time-dependent energy-based models (EBMs), where the score is obtained from…

机器学习 · 统计学 2026-05-22 RuiKang OuYang , Louis Grenioux , José Miguel Hernández-Lobato

Restricted Boltzmann Machine (RBM) is an energy based, undirected graphical model. It is commonly used for unsupervised and supervised machine learning. Typically, RBM is trained using contrastive divergence (CD). However, training with CD…

机器学习 · 计算机科学 2021-07-02 Vivek Dixit , Raja Selvarajan , Muhammad A. Alam , Travis S. Humble , Sabre Kais

A Restricted Boltzmann Machine (RBM) is an unsupervised machine-learning bipartite graphical model that jointly learns a probability distribution over data and extracts their relevant statistical features. As such, RBM were recently…

机器学习 · 计算机科学 2019-02-19 Jérôme Tubiana , Simona Cocco , Rémi Monasson

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…

机器学习 · 计算机科学 2018-03-12 Son N. Tran , Srikanth Cherla , Artur Garcez , Tillman Weyde

A Boltzmann machine whose effective "temperature" can be dynamically "cooled" provides a stochastic neural network realization of simulated annealing, which is an important metaheuristic for solving combinatorial or global optimization…

新兴技术 · 计算机科学 2019-05-16 Tong Wu , Huan Zhao , Fanxin Liu , Jing Guo , Han Wang

Restricted Boltzmann machines (RBMs) and their extensions, called 'deep-belief networks', are powerful neural networks that have found applications in the fields of machine learning and artificial intelligence. The standard way to training…

机器学习 · 计算机科学 2018-10-25 Haik Manukian , Fabio L. Traversa , Massimiliano Di Ventra

We review Boltzmann machines and energy-based models. A Boltzmann machine defines a probability distribution over binary-valued patterns. One can learn parameters of a Boltzmann machine via gradient based approaches in a way that log…

神经与进化计算 · 计算机科学 2019-01-21 Takayuki Osogami