Related papers: Efficient Training of Energy-Based Models Using Ja…

In this paper, we propose a novel generative model that utilizes a conditional Energy-Based Model (EBM) for enhancing Variational Autoencoder (VAE), termed Energy-Calibrated VAE (EC-VAE). Specifically, VAEs often suffer from blurry…

In recent years, the Edge Computing (EC) paradigm has emerged as an enabling factor for developing technologies like the Internet of Things (IoT) and 5G networks, bridging the gap between Cloud Computing services and end-users, supporting…

Extracting equilibrium information from nonequilibrium measurements is a challenge task of great importance in understanding the thermodynamic properties of physical, chemical, and biological systems. The discovery of the Jarzynski equality…

Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body…

We investigate the convergence properties of the EM algorithm when applied to overspecified Gaussian mixture models -- that is, when the number of components in the fitted model exceeds that of the true underlying distribution. Focusing on…

This paper studies a training method to jointly estimate an energy-based model and a flow-based model, in which the two models are iteratively updated based on a shared adversarial value function. This joint training method has the…

Latent Gaussian models have a rich history in statistics and machine learning, with applications ranging from factor analysis to compressed sensing to time series analysis. The classical method for maximizing the likelihood of these models…

Exponentiated gradient descent (EGD), a biologically motivated optimisation algorithm that respects Dale's law, produces log-normally distributed synaptic weights at convergence, in alignment with experimental observations in neuroscience.…

Learning energy-based model (EBM) requires MCMC sampling of the learned model as an inner loop of the learning algorithm. However, MCMC sampling of EBMs in high-dimensional data space is generally not mixing, because the energy function,…

Evidence accumulation models (EAMs) are an important class of cognitive models used to analyze both response time and response choice data recorded from decision-making tasks. Developments in estimation procedures have helped EAMs become…

Exponential random graph models (ERGMs) are very flexible for modeling network formation but pose difficult estimation challenges due to their intractable normalizing constant. Existing methods, such as MCMC-MLE, rely on sequential…

Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…

Jarzynski Equality (JE) and the thermodynamic integration method are conventional methods to calculate free energy difference (FED) between two equilibrium states with constant temperature of a system. However, a number of ensemble samples…

Joint Energy-based Model (JEM) is a recently proposed hybrid model that retains strong discriminative power of modern CNN classifiers, while generating samples rivaling the quality of GAN-based approaches. In this paper, we propose a…

Energy-based learning algorithms are alternatives to backpropagation and are well-suited to distributed implementations in analog electronic devices. However, a rigorous theory of convergence is lacking. We make a first step in this…

Equality-constrained models naturally arise in problems in which measurements are taken at different levels of resolution. The challenge in this setting is that the models usually induce a joint distribution which is intractable. Resorting…

Conditional Neural Processes~(CNPs) formulate distributions over functions and generate function observations with exact conditional likelihoods. CNPs, however, have limited expressivity for high-dimensional observations, since their…

Current state-of-the-art model-based reinforcement learning algorithms use trajectory sampling methods, such as the Cross-Entropy Method (CEM), for planning in continuous control settings. These zeroth-order optimizers require sampling a…

State-of-the-art pre-trained image models predominantly adopt a two-stage approach: initial unsupervised pre-training on large-scale datasets followed by task-specific fine-tuning using Cross-Entropy loss~(CE). However, it has been…

The Jarzynski equality allows the calculation of free-energy differences using values of work measured from nonequilibrium trajectories. The number of trajectories required to accurately estimate free-energy differences in this way grows…