Related papers: Energy-based generator matching: A neural sampler …
Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to…
Energy-Based Models (EBMs) are an important class of probabilistic models, also known as random fields and undirected graphical models. EBMs are un-normalized and thus radically different from other popular self-normalized probabilistic…
Many recent flow-matching and diffusion-style generative models rely on auxiliary stochastic dynamics during training: a richer process is simulated to define conditional targets, but the auxiliary state is either intractable to sample at…
Developing an efficient sampler capable of generating independent and identically distributed (IID) samples from a Boltzmann distribution is a crucial challenge in scientific research, e.g. molecular dynamics. In this work, we intend to…
Catastrophic forgetting can be trivially alleviated by keeping all data from previous tasks in memory. Therefore, minimizing the memory footprint while maximizing the amount of relevant information is crucial to the challenge of continual…
Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time- and length-scales inaccessible to all-atom simulations. Parameterizing CG force fields to match all-atom simulations has mainly…
This paper studies the fundamental problem of learning multi-layer generator models. The multi-layer generator model builds multiple layers of latent variables as a prior model on top of the generator, which benefits learning complex data…
Undirected graphical models are compact representations of joint probability distributions over random variables. To solve inference tasks of interest, graphical models of arbitrary topology can be trained using empirical risk minimization.…
We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling…
This paper proposes StrEBM, a structured latent energy-based model for source-wise structured representation learning. The framework is motivated by a broader goal of promoting identifiable and decoupled latent organization by assigning…
Understanding brain function represents a fundamental goal in neuroscience, with critical implications for therapeutic interventions and neural engineering applications. Computational modeling provides a quantitative framework for…
Traditional scene graph generation methods are trained using cross-entropy losses that treat objects and relationships as independent entities. Such a formulation, however, ignores the structure in the output space, in an inherently…
We propose the novel framework for generative modelling using hybrid energy-based models. In our method we combine the interpretable input gradients of the robust classifier and Langevin Dynamics for sampling. Using the adversarial training…
Deep learning-based surface electromyography (sEMG) gesture recognition is frequently bottlenecked by data scarcity and limited subject diversity. While synthetic data generation via Generative Adversarial Networks (GANs) and diffusion…
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,…
In this paper, we quantify the impact of using non-convergent Markov chains to train Energy-Based models (EBMs). In particular, we show analytically that EBMs trained with non-persistent short runs to estimate the gradient can perfectly…
Energy-based models (EBMs) exhibit a variety of desirable properties in predictive tasks, such as generality, simplicity and compositionality. However, training EBMs on high-dimensional datasets remains unstable and expensive. In this…
We propose Electrostatic Field Matching (EFM), a novel method that is suitable for both generative modeling and distribution transfer tasks. Our approach is inspired by the physics of an electrical capacitor. We place source and target…
Coarse-grained (CG) models provide an effective route to reducing the complexity of molecular simulations (MD), but conventional approaches depend heavily on long all-atom MD trajectories to adequately sample configurational space. This…
Generalization is a key challenge in machine learning, specifically in reasoning tasks, where models are expected to solve problems more complex than those encountered during training. Existing approaches typically train reasoning models in…