Transferable Boltzmann Generators learn to sample unseen molecules efficiently.
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Quantum Boltzmann Machines trained on quantum annealers produce noisy synthetic data.
A new method speeds up sampling of Boltzmann distribution in high-dimensional systems.
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 …
Neural Boltzmann Machines improve on CRBMs for modeling data.
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…
EDG generates Boltzmann samples from latent variables efficiently.
RBM and DBM are represented as 2D tensor networks, revealing their expressive power and efficiency.
CG-BGs combine flow-based models with PMFs to sample large systems efficiently.
A new sampler and temperature estimation method enable efficient learning of Boltzmann Machines.
This paper provides a tutorial on Boltzmann Machines and Deep Belief Networks.
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…
D-Wave computers struggle with sampling Boltzmann distributions efficiently.
BNEM improves Boltzmann sampler efficiency.
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…
The probability density function for the visible sector of a Riemann-Theta Boltzmann machine can be taken conditional on a subset of the visible units. We derive that the corresponding conditional density function is given by a reparameterization of the Riemann-Theta Boltzmann machine modelling the original probability…
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.
In this work, we consider compressed sensing reconstruction from measurements of -sparse structured signals which do not possess a writable correlation model. Assuming that a generative statistical model, such as a Boltzmann machine, can be trained in an unsupervised manner on example signals, we demonstrate how…
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…
Near-Exponential Convergence Rates for kNN Classification
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…
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…
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…
Jeffreys Flow improves robustness of Boltzmann generators for rare event sampling.
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…
This work maps Boltzmann distributions to ARNNs for better physics-based model approximations.
A new machine learning model uses score matching to estimate probability densities efficiently.
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 …
DECAF optimizes molecular graphs for ensemble properties, improving drug design accuracy.
Computing equilibrium states in condensed-matter many-body systems, such as solvated proteins, is a long-standing challenge. Lacking methods for generating statistically independent equilibrium samples in "one shot", vast computational effort is invested for simulating these system in small steps, e.g., using Molecular…
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…
CAP-BM learns complex-valued data's amplitude and phase distributions.
In 1870s, L. Boltzmann proved the famous -theorem for the Boltzmann equation in the kinetic theory of gas and gave the statistical interpretation of the thermodynamic entropy. In 2002, G. Perelman introduced the notion of -entropy and proved the -entropy formula for the Ricci flow. This plays a crucial role in…
Enhances hashing for fast retrieval with correlated 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…
Generalization is one of the most important issues in machine learning problems. In this study, we consider generalization in restricted Boltzmann machines (RBMs). We propose an RBM with multivalued hidden variables, which is a simple extension of conventional RBMs. We demonstrate that the proposed model is better than…
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…
SCALLOP improves likelihood flow maps for efficient Boltzmann generation.
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…
New method generates molecular conformations efficiently.
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…
Inverse problem solved for relativistic Boltzmann equation on spacetime.
EWFM trains continuous flows with only energy evaluations, improving sample quality with fewer computations.
Graph clustering improved using Boltzmann machine heuristics.
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 regularization upon the activation possibilities of hidden unit…
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…
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…
Computational Fluid Dynamics (CFD) is a hugely important subject with applications in almost every engineering field, however, fluid simulations are extremely computationally and memory demanding. Towards this end, we present Lat-Net, a method for compressing both the computation time and memory usage of Lattice Boltzm…