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48 results for Boltzmann generators

Quantum Boltzmann Machines trained on quantum annealers produce noisy synthetic data.

problem Training quantum Boltzmann machines on quantum annealers for financial data generation.
method Used D-Wave Advantage 4.1 quantum annealer to train QBMs and compare with classical RBMs.
result Quantum Boltzmann Machines trained on quantum annealers are noisier and less effective than classical RBMs.

A new method speeds up sampling of Boltzmann distribution in high-dimensional systems.

problem High computational cost of obtaining Jacobian of flow-based models in high dimensions.
method Flow perturbation method that incorporates stochastic perturbations and reweighting.
result Achieves unbiased sampling of Boltzmann distribution with orders of magnitude speedup.

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 combinatorial explosion of the sample space, TBMs overcome the problem by adaptively …

2018-05-21abs ↗pdf ↗

Boltzmann machines are physics informed generative models with wide applications in machine learning. They can learn the probability distribution from an input dataset and generate new samples accordingly. Applying them back to physics, the Boltzmann machines are ideal recommender systems to accelerate Monte Carlo simu…

2017-02-28abs ↗pdf ↗

EDG generates Boltzmann samples from latent variables efficiently.

problem Sampling from complex energy functions in high dimensions.
method Combines variational autoencoders and diffusion models; uses a decoder and diffusion-based encoder.
result EDG outperforms existing methods in various sampling tasks.

RBM and DBM are represented as 2D tensor networks, revealing their expressive power and efficiency.

problem Understanding and optimizing RBM and DBM models.
method Representing RBM and DBM as 2D tensor networks and developing an efficient tensor network contraction algorithm.
result The proposed algorithm for computing partition functions is more accurate than state-of-the-art methods.

CG-BGs combine flow-based models with PMFs to sample large systems efficiently.

problem Sampling equilibrium molecular configurations from the Boltzmann distribution is challenging.
method Coarse-grained Boltzmann Generators (CG-BGs) use flow-based models and learned PMFs for efficient sampling.
result CG-BGs provide a practical route for sampling larger molecular systems efficiently.

A new sampler and temperature estimation method enable efficient learning of Boltzmann Machines.

problem Efficient learning of Boltzmann Machines (BMs) is challenging due to high training costs and difficulty in parallelization.
method Proposed a new Boltzmann sampler (Langevin SB, LSB) and an efficient method (Conditional Expectation Matching, CEM) for estimating inverse temperature.
result Established an efficient learning framework (Sampler-Adaptive Learning, SAL) for BMs with greater expressive power than Restricted Boltzmann Machines (RBMs).

This paper provides a tutorial on Boltzmann Machines and Deep Belief Networks.

problem Understanding and applying Boltzmann Machines and Deep Belief Networks.
method Explains the structures, conditional distributions, Gibbs sampling, training methods, and deep belief networks of RBMs.
result Comprehensive overview of RBMs and DBNs, useful in various fields.

Boltzmann machines are powerful distributions that have been shown to be an effective prior over binary latent variables in variational autoencoders (VAEs). However, previous methods for training discrete VAEs have used the evidence lower bound and not the tighter importance-weighted bound. We propose two approaches fo…

2018-05-18abs ↗pdf ↗

We propose an expectation-maximization-like(EMlike) method to train Boltzmann machine with unconstrained connectivity. It adopts Monte Carlo approximation in the E-step, and replaces the intractable likelihood objective with efficiently computed objectives or directly approximates the gradient of likelihood objective i…

2016-09-07abs ↗pdf ↗

We introduce a new method for training deep Boltzmann machines jointly. Prior methods require an initial learning pass that trains the deep Boltzmann machine greedily, one layer at a time, or do not perform well on classifi- cation tasks.

2012-12-12abs ↗pdf ↗

The restricted Boltzmann machine is a network of stochastic units with undirected interactions between pairs of visible and hidden units. This model was popularized as a building block of deep learning architectures and has continued to play an important role in applied and theoretical machine learning. Restricted Bolt…

2018-06-19abs ↗pdf ↗

The Boltzmann machine provides a useful framework to learn highly complex, multimodal and multiscale data distributions that occur in the real world. The default method to learn its parameters consists of minimizing the Kullback-Leibler (KL) divergence from training samples to the Boltzmann model. We propose in this wo…

2015-07-07abs ↗pdf ↗

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 not sufficiently penalize models that place a high probability in regions where…

2018-04-23abs ↗pdf ↗

We show that deep narrow Boltzmann machines are universal approximators of probability distributions on the activities of their visible units, provided they have sufficiently many hidden layers, each containing the same number of units as the visible layer. We show that, within certain parameter domains, deep Boltzmann…

2014-11-14abs ↗pdf ↗

Jeffreys Flow improves robustness of Boltzmann generators for rare event sampling.

problem Rare events and metastable trapping in sampling physical systems with rough energy landscapes.
method Introduces Jeffreys Flow, a robust generative framework using Parallel Tempering distillation and symmetric Jeffreys divergence to mitigate mode collapse and improve mode coverage.
result Minimizing Jeffreys divergence suppresses mode collapse and corrects inaccuracies in multi-modal distributions.

Deep Boltzmann machines are in principle powerful models for extracting the hierarchical structure of data. Unfortunately, attempts to train layers jointly (without greedy layer-wise pretraining) have been largely unsuccessful. We propose a modification of the learning algorithm that initially recenters the output of t…

2012-03-16abs ↗pdf ↗

This work maps Boltzmann distributions to ARNNs for better physics-based model approximations.

problem Approximating Boltzmann distributions of binary systems.
method Exact mapping of Boltzmann distribution to autoregressive neural network architecture.
result New ARNN architectures derived from physical models show superior performance.

A new machine learning model uses score matching to estimate probability densities efficiently.

problem Estimating probability density functions is challenging.
method Introduced a product Jacobi-Theta Boltzmann machine (pJTBM) and used score matching for efficient fitting.
result The pJTBM can fit probability densities more efficiently than the RTBM using score matching.

We present a new statistical learning paradigm for Boltzmann machines based on a new inference principle we have proposed: the latent maximum entropy principle (LME). LME is different both from Jaynes maximum entropy principle and from standard maximum likelihood estimation.We demonstrate the LME principle BY deriving …

2012-10-19abs ↗pdf ↗

DECAF optimizes molecular graphs for ensemble properties, improving drug design accuracy.

problem Designing molecules with ensemble properties rather than single conformations.
method DECAF uses Boltzmann-expected design with decoupled annealing flows to optimize molecular graphs.
result DECAF optimizes molecular graphs to shift ensemble properties towards targets, improving accuracy over single-conformer methods.

We propose a relaxation-based approximate inference algorithm that samples near-MAP configurations of a binary pairwise Markov random field. We experiment on MAP inference tasks in several restricted Boltzmann machines. We also use our underlying sampler to estimate the log-partition function of restricted Boltzmann ma…

2013-12-21abs ↗pdf ↗

Enhances hashing for fast retrieval with correlated bits.

problem Fast retrieval and small memory footprint for large-scale information retrieval.
method Employing Boltzmann machine distribution as variational posterior to model correlations among hash code bits.
result Significant performance gains achieved by effectively modeling correlations among hash code bits.

Focusing on the grand-canonical extension of the ordinary restricted Boltzmann machine, we suggest an energy-based model for feature extraction that uses a layer of hidden units with varying size. By an appropriate choice of the chemical potential and given a sufficiently large number of hidden resources the generative…

2019-12-09abs ↗pdf ↗

Despite their exceptional flexibility and popularity, the Monte Carlo methods often suffer from slow mixing times for challenging statistical physics problems. We present a general strategy to overcome this difficulty by adopting ideas and techniques from the machine learning community. We fit the unnormalized probabil…

2016-10-10abs ↗pdf ↗

SCALLOP improves likelihood flow maps for efficient Boltzmann generation.

problem Efficient estimation of model likelihood in flow-based generative models.
method SCALLOP introduces a Hutchinson-free likelihood distillation objective for scalable flow-based models.
result SCALLOP achieves up to 10x inference speedup while improving performance.

A general Boltzmann machine with continuous visible and discrete integer valued hidden states is introduced. Under mild assumptions about the connection matrices, the probability density function of the visible units can be solved for analytically, yielding a novel parametric density function involving a ratio of Riema…

2017-12-20abs ↗pdf ↗

New method generates molecular conformations efficiently.

problem Generating accurate molecular conformations efficiently.
method Variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions.
result VonMisesNet generates conformations orders of magnitude faster than existing methods.

A Gaussian restricted Boltzmann machine (GRBM) is a Boltzmann machine defined on a bipartite graph and is an extension of usual restricted Boltzmann machines. A GRBM consists of two different layers: a visible layer composed of continuous visible variables and a hidden layer composed of discrete hidden variables. In th…

2015-12-03abs ↗pdf ↗

Inverse problem solved for relativistic Boltzmann equation on spacetime.

problem Determining spacetime from causal measurements.
method Using the nonlinearity of the Boltzmann equation to uniquely determine the spacetime.
result The spacetime is uniquely determined up to isometry in the causal set I+(x)I(x+)I^+(x^-) \cap I^-(x^+).

EWFM trains continuous flows with only energy evaluations, improving sample quality with fewer computations.

problem Efficiently sampling from complex, high-dimensional Boltzmann distributions using only energy evaluations.
method Energy-Weighted Flow Matching (EWFM) using importance sampling and iterative/annealed training.
result Improved sample quality with up to 3 orders of magnitude fewer energy evaluations compared to existing methods.

Since learning is typically very slow in Boltzmann machines, there is a need to restrict connections within hidden layers. However, the resulting states of hidden units exhibit statistical dependencies. Based on this observation, we propose using l1/l2l_1/l_2 regularization upon the activation possibilities of hidden unit…

2010-08-30abs ↗pdf ↗

Statistical models of economic distributions lead to Boltzmann distributions rather than a Pareto power law. This result is supported by two facts: 1. the distributions of income, car sales, marriages or jobs are a matter of chances and luck and not of reason! 2. Data for property, automobile sales, marriages and job m…

2002-04-10abs ↗pdf ↗

In this paper, we build on the biquasiles and dual graph diagrams introduced in arXiv:1610.06969. We introduce \textit{biquasile Boltzmann weights} that enhance the previous knot coloring invariant defined in terms of finite biquasiles and provide examples differentiating links with the same counting invariant, demonst…

2017-04-09abs ↗pdf ↗