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Decision-making under uncertainty in energy management is complicated by unknown parameters hindering optimal strategies, particularly in Battery Energy Storage System (BESS) operations. Predict-Then-Optimise (PTO) approaches treat…

This paper studies the fundamental problem of learning energy-based model (EBM) in the latent space of the generator model. Learning such prior model typically requires running costly Markov Chain Monte Carlo (MCMC). Instead, we propose to…

机器学习 · 计算机科学 2022-09-20 Zhisheng Xiao , Tian Han

Identifying low-energy conformers with quantum mechanical accuracy for molecules with many degrees of freedom is challenging. In this work, we use the molecular dihedral angles as features and explore the possibility of performing molecular…

计算物理 · 物理学 2022-03-29 Xiaomi Guo , Lincan Fang , Yong Xu , Wenhui Duan , Rinke Patrick , Milica Todorović , Xi Chen

Pervasive AI increasingly depends on on-device learning systems that deliver low-latency and energy-efficient computation under strict resource constraints. Liquid State Machines (LSMs) offer a promising approach for low-power temporal…

机器学习 · 计算机科学 2026-01-09 Zain Iqbal , Lorenzo Valerio

Latent-variable energy-based models (LVEBMs) assign a single normalized energy to joint pairs of observed data and latent variables, offering expressive generative modeling while capturing hidden structure. We recast maximum-likelihood…

机器学习 · 计算机科学 2025-10-20 Shiqin Tang , Shuxin Zhuang , Rong Feng , Runsheng Yu , Hongzong Li , Youzhi Zhang

Variational Auto-Encoders (VAEs) are known to generate blurry and inconsistent samples. One reason for this is the "prior hole" problem. A prior hole refers to regions that have high probability under the VAE's prior but low probability…

机器学习 · 计算机科学 2025-10-02 Debottam Dutta , Chaitanya Amballa , Zhongweiyang Xu , Yu-Lin Wei , Romit Roy Choudhury

In complex physical systems, conventional differential equations often fall short in capturing non-local and memory effects, as they are limited to local dynamics and integer-order interactions. This study introduces a stepwise data-driven…

计算物理 · 物理学 2025-05-30 Xiangnan Yu , Hao Xu , Zhiping Mao , HongGuang Sun , Yong Zhang , Dongxiao Zhang , Yuntian Chen

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be computationally expensive, making model-order reduction…

Training energy-based models (EBMs) on high-dimensional data can be both challenging and time-consuming, and there exists a noticeable gap in sample quality between EBMs and other generative frameworks like GANs and diffusion models. To…

机器学习 · 统计学 2024-11-12 Yaxuan Zhu , Jianwen Xie , Yingnian Wu , Ruiqi Gao

The global push to advance Carbon Capture and Sequestration initiatives and green energy solutions, such as geothermal, have thrust new demands upon the current state-of-the-art subsurface fluid simulators. The requirement to be able to…

机器学习 · 计算机科学 2023-07-04 Surya T. Sathujoda , Soham M. Sheth

As large pre-trained language models become increasingly critical to natural language understanding (NLU) tasks, their substantial computational and memory requirements have raised significant economic and environmental concerns. Addressing…

计算与语言 · 计算机科学 2025-11-03 Shang Wang

EM algorithm is a convenient tool for maximum likelihood model fitting when the data are incomplete or when there are latent variables or hidden states. In this review article we explain that EM algorithm is a natural computational scheme…

统计方法学 · 统计学 2011-04-13 Zhangzhang Si , Haifeng Gong , Song-Chun Zhu , Ying Nian Wu

Despite remarkable progress in autoregressive language models, alternative generative paradigms beyond left-to-right generation are still being actively explored. Discrete diffusion models, with the capacity for parallel generation, have…

计算与语言 · 计算机科学 2025-03-10 Minkai Xu , Tomas Geffner , Karsten Kreis , Weili Nie , Yilun Xu , Jure Leskovec , Stefano Ermon , Arash Vahdat

Energy-based latent variable models (EBLVMs) are more expressive than conventional energy-based models. However, its potential on visual tasks are limited by its training process based on maximum likelihood estimate that requires sampling…

计算机视觉与模式识别 · 计算机科学 2022-03-29 Ge Kan , Jinhu Lü , Tian Wang , Baochang Zhang , Aichun Zhu , Lei Huang , Guodong Guo , Hichem Snoussi

Energy-based models are a simple yet powerful class of probabilistic models, but their widespread adoption has been limited by the computational burden of training them. We propose a novel loss function called Energy Discrepancy (ED) which…

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some…

机器学习 · 计算机科学 2020-10-19 Fan Bao , Chongxuan Li , Kun Xu , Hang Su , Jun Zhu , Bo Zhang

Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box…

Energy-Based Models (EBMs), also known as non-normalized probabilistic models, specify probability density or mass functions up to an unknown normalizing constant. Unlike most other probabilistic models, EBMs do not place a restriction on…

机器学习 · 计算机科学 2021-02-19 Yang Song , Diederik P. Kingma

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…

计算机视觉与模式识别 · 计算机科学 2023-10-13 Jiali Cui , Ying Nian Wu , Tian Han

Energy-based models (EBMs) are generative models that are usually trained via maximum likelihood estimation. This approach becomes challenging in generic situations where the trained energy is non-convex, due to the need to sample the Gibbs…

机器学习 · 计算机科学 2022-02-16 Carles Domingo-Enrich , Alberto Bietti , Marylou Gabrié , Joan Bruna , Eric Vanden-Eijnden