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Energy functions for pure and heterogenous systems are one of the backbones for molecular simulation of condensed phase systems. With the advent of machine learned potential energy surfaces (ML-PESs) a new era has started. Statistical…

This paper proposes a latent space energy-based prior model for semi-supervised learning. The model stands on a generator network that maps a latent vector to the observed example. The energy term of the prior model couples the latent…

Machine Learning · Computer Science 2020-10-20 Bo Pang , Erik Nijkamp , Jiali Cui , Tian Han , Ying Nian Wu

Deep energy-based models (EBMs) are very flexible in distribution parametrization but computationally challenging because of the intractable partition function. They are typically trained via maximum likelihood, using contrastive divergence…

Machine Learning · Computer Science 2020-07-22 Lantao Yu , Yang Song , Jiaming Song , Stefano Ermon

The growing complexity of the power grid, driven by increasing share of distributed energy resources and by massive deployment of intelligent internet-connected devices, requires new modelling tools for planning and operation. Physics-based…

Machine Learning · Statistics 2018-11-26 Francesco Fusco

Low dimensional embeddings that capture the main variations of interest in collections of data are important for many applications. One way to construct these embeddings is to acquire estimates of similarity from the crowd. However,…

Machine Learning · Computer Science 2018-03-30 Kun Ho Kim , Oisin Mac Aodha , Pietro Perona

Energy-Based Models (EBMs) offer a versatile framework for modeling complex data distributions. However, training and sampling from EBMs continue to pose significant challenges. The widely-used Denoising Score Matching (DSM) method for…

Machine Learning · Statistics 2024-03-20 Mingtian Zhang , Alex Hawkins-Hooker , Brooks Paige , David Barber

We investigate ensemble methods for prediction in an online setting. Unlike all the literature in ensembling, for the first time, we introduce a new approach using a meta learner that effectively combines the base model predictions via…

Machine Learning · Computer Science 2022-12-01 Arda Fazla , Mustafa Enes Aydin , Orhun Tamyigit , Suleyman Serdar Kozat

Energy based models (EBMs) are appealing for their generality and simplicity in data likelihood modeling, but have conventionally been difficult to train due to the unstable and time-consuming implicit MCMC sampling during contrastive…

Machine Learning · Computer Science 2024-07-23 Junn Yong Loo , Michelle Adeline , Arghya Pal , Vishnu Monn Baskaran , Chee-Ming Ting , Raphael C. -W. Phan

This paper introduces novel deep dynamical models designed to represent continuous-time sequences. Our approach employs a neural emission model to generate each data point in the time series through a non-linear transformation of a latent…

Machine Learning · Computer Science 2025-02-06 Sheng Cheng , Deqian Kong , Jianwen Xie , Kookjin Lee , Ying Nian Wu , Yezhou Yang

While deep learning-based classification is generally tackled using standardized approaches, a wide variety of techniques are employed for regression. In computer vision, one particularly popular such technique is that of confidence-based…

Machine Learning · Computer Science 2020-07-21 Fredrik K. Gustafsson , Martin Danelljan , Goutam Bhat , Thomas B. Schön

As a classical generative modeling approach, energy-based models have the natural advantage of flexibility in the form of the energy function. Recently, energy-based models have achieved great success in modeling high-dimensional data in…

Machine Learning · Computer Science 2024-01-19 Taoli Cheng , Aaron Courville

Recently, there has been an increasing interest in the roll-out of electric vehicles (EVs) in the global automotive market. Compared to conventional internal combustion engine vehicles (ICEVs), EVs can not only help users reduce monetary…

Machine Learning · Computer Science 2021-08-10 Mingming Liu

We develop interacting particle algorithms for learning latent variable models with energy-based priors. To do so, we leverage recent developments in particle-based methods for solving maximum marginal likelihood estimation (MMLE) problems.…

Machine Learning · Statistics 2025-10-15 Joanna Marks , Tim Y. J. Wang , O. Deniz Akyildiz

Training energy-based models (EBMs) on discrete spaces is challenging because sampling over such spaces can be difficult. We propose to train discrete EBMs with energy discrepancy (ED), a novel type of contrastive loss functional which only…

Machine Learning · Statistics 2023-07-18 Tobias Schröder , Zijing Ou , Yingzhen Li , Andrew B. Duncan

Joint Embedding Predictive Architectures (JEPAs) learn representations able to solve numerous downstream tasks out-of-the-box. JEPAs combine two objectives: (i) a latent-space prediction term, i.e., the representation of a slightly…

Machine Learning · Computer Science 2025-10-08 Randall Balestriero , Nicolas Ballas , Mike Rabbat , Yann LeCun

In the last decades, energy-based models (EBMs) have become an important class of probabilistic models in which a component of the likelihood is intractable and therefore cannot be evaluated explicitly. Consequently, parameter estimation in…

Computational Engineering, Finance, and Science · Computer Science 2026-04-10 Luca Martino

The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular language models that have been pretrained on extensive…

In this paper we address the problem of modeling relational data, which appear in many applications such as social network analysis, recommender systems and bioinformatics. Previous studies either consider latent feature based models but…

Data Structures and Algorithms · Computer Science 2012-04-13 Sheng Gao , Ludovic Denoyer , Patrick Gallinari

Model ensemble is an effective strategy in continual learning, which alleviates catastrophic forgetting by interpolating model parameters, achieving knowledge fusion learned from different tasks. However, existing model ensemble methods…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Yuchuan Mao , Zhi Gao , Xiaomeng Fan , Yuwei Wu , Yunde Jia , Chenchen Jing

Can we train a hybrid discriminative-generative model within a single network? This question has recently been answered in the affirmative, introducing the field of Joint Energy-based Model (JEM), which achieves high classification accuracy…

Computer Vision and Pattern Recognition · Computer Science 2023-03-15 Xiulong Yang , Qing Su , Shihao Ji
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