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We investigate the impact of limited data on training pairwise energy-based models for inverse problems aimed at identifying interaction networks. Utilizing the Gaussian model as testbed, we dissect training trajectories across the…

Machine Learning · Computer Science 2025-06-06 Giovanni Catania , Aurélien Decelle , Cyril Furtlehner , Beatriz Seoane

Clustering has become an indispensable tool in the presence of increasingly large and complex data sets. Most clustering algorithms depend, either explicitly or implicitly, on the sampled density. However, estimated densities are fragile…

Chemical Physics · Physics 2023-08-21 Moritz Thürlemann , Sereina Riniker

This paper presents a novel decision-focused framework integrating the physical energy storage model into machine learning pipelines. Motivated by the model predictive control for energy storage, our end-to-end method incorporates the prior…

Systems and Control · Electrical Eng. & Systems 2024-12-06 Ming Yi , Saud Alghumayjan , Bolun Xu

We propose a methodology to generate hybrid machine learning models for the potential energy surface trained simultaneously on data from ab initio electronic structure calculations and on thermodynamic and/or structural observables from…

Statistical Mechanics · Physics 2025-11-19 Pablo Peña-Cano , Pablo M. Piaggi

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

High Energy Physics - Phenomenology · Physics 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

This paper addresses the problem of predicting the energy consumption for the drivers of Battery electric vehicles (BEVs). Several external factors (e.g., weather) are shown to have huge impacts on the energy consumption of a vehicle…

Systems and Control · Electrical Eng. & Systems 2024-05-21 Yu-Wen Huang , Christian Prehofer , William Lindskog , Ron Puts , Pietro Mosca , Göran Kauermann

Many DNN-enabled vision applications constantly operate under severe energy constraints such as unmanned aerial vehicles, Augmented Reality headsets, and smartphones. Designing DNNs that can meet a stringent energy budget is becoming…

Machine Learning · Computer Science 2019-04-09 Haichuan Yang , Yuhao Zhu , Ji Liu

Multimodal generative models have recently gained significant attention for their ability to learn representations across various modalities, enhancing joint and cross-generation coherence. However, most existing works use standard Gaussian…

Machine Learning · Computer Science 2024-10-01 Shiyu Yuan , Jiali Cui , Hanao Li , Tian Han

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Discrete-time modeling of acoustic, mechanical and electrical systems is a prominent topic in the musical signal processing literature. Such models are mostly derived by discretizing a mathematical model, given in terms of ordinary or…

We present a systematic theoretical framework that interprets masked diffusion models (MDMs) as solutions to energy minimization problems in discrete optimal transport. Specifically, we prove that three distinct energy…

Machine Learning · Computer Science 2026-03-24 Sitong Chen , Shen Nie , Jiacheng Sun , Zijin Feng , Zhenguo Li , Ji-Rong Wen , Chongxuan Li

Training energy-based models (EBMs) with noise-contrastive estimation (NCE) is theoretically feasible but practically challenging. Effective learning requires the noise distribution to be approximately similar to the target distribution,…

Machine Learning · Computer Science 2022-11-07 Nathaniel Xu

Efficient and stable solution of partial differential equations (PDEs) is central to scientific and engineering applications, yet existing numerical solvers rely heavily on matrix based discretizations, while learning based methods require…

Machine Learning · Computer Science 2026-04-30 Yi Bing , Zheng Ran , Fu Jinyang , Liu Long , Peng Xiang

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…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Yihong Luo , Siya Qiu , Xingjian Tao , Yujun Cai , Jing Tang

Generative diffusion models can provide powerful prior probability models for inverse problems in imaging, but existing implementations suffer from two key limitations: $(i)$ the prior density is represented implicitly, and $(ii)$ they rely…

Machine Learning · Computer Science 2026-05-19 Nicolas Zilberstein , Santiago Segarra , Eero Simoncelli , Florentin Guth

We present Generalized Contrastive Divergence (GCD), a novel objective function for training an energy-based model (EBM) and a sampler simultaneously. GCD generalizes Contrastive Divergence (Hinton, 2002), a celebrated algorithm for…

Machine Learning · Computer Science 2023-12-07 Sangwoong Yoon , Dohyun Kwon , Himchan Hwang , Yung-Kyun Noh , Frank C. Park

We address the challenge of training diffusion models to sample from unnormalized energy distributions in the absence of data, the so-called diffusion samplers. Although these approaches have shown promise, they struggle to scale in more…

Machine Learning · Computer Science 2025-11-07 Minkyu Kim , Kiyoung Seong , Dongyeop Woo , Sungsoo Ahn , Minsu Kim

Building energy modeling plays a vital role in optimizing the operation of building energy systems by providing accurate predictions of the building's real-world conditions. In this context, various techniques have been explored, ranging…

Systems and Control · Electrical Eng. & Systems 2025-04-24 Leandro Von Krannichfeldt , Kristina Orehounig , Olga Fink

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

The deep energy method (DEM) has been used to solve the elastic deformation of structures with linear elasticity, hyperelasticity, and strain-gradient elasticity material models based on the principle of minimum potential energy. In this…

Computational Engineering, Finance, and Science · Computer Science 2023-01-26 Junyan He , Diab Abueidda , Rashid Abu Al-Rub , Seid Koric , Iwona Jasiuk