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Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that…

Machine Learning · Computer Science 2021-07-15 Brandon Trabucco , Aviral Kumar , Xinyang Geng , Sergey Levine

Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experimentation. Recent work has introduced quantum extremal…

Model-based algorithms, which learn a dynamics model from logged experience and perform some sort of pessimistic planning under the learned model, have emerged as a promising paradigm for offline reinforcement learning (offline RL).…

Machine Learning · Computer Science 2022-01-28 Tianhe Yu , Aviral Kumar , Rafael Rafailov , Aravind Rajeswaran , Sergey Levine , Chelsea Finn

Energy-Based Models (EBMs) have been widely used for generative modeling. Contrastive Divergence (CD), a prevailing training objective for EBMs, requires sampling from the EBM with Markov Chain Monte Carlo methods (MCMCs), which leads to an…

Machine Learning · Computer Science 2023-07-06 Weijian Luo , Hao Jiang , Tianyang Hu , Jiacheng Sun , Zhenguo Li , Zhihua Zhang

Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good…

Machine Learning · Computer Science 2026-03-05 Shen-Huan Lyu , Rong-Xi Tan , Ke Xue , Yi-Xiao He , Yu Huang , Qingfu Zhang , Chao Qian

Offline reinforcement learning (RL) aims to optimize a policy using collected data without online interactions. Model-based approaches are particularly appealing for addressing offline RL challenges because of their capability to mitigate…

Machine Learning · Computer Science 2026-04-14 Hao Li , Xiao-Hu Zhou , Shu-Hai Li , Mei-Jiang Gui , Xiao-Liang Xie , Shi-Qi Liu , Shuang-Yi Wang , Zhen-Qiu Feng , Zeng-Guang Hou

The Energy-Based Model (EBM) framework is a very general approach to generative modeling that tries to learn and exploit probability distributions only defined though unnormalized scores. It has risen in popularity recently thanks to the…

Machine Learning · Computer Science 2022-02-25 Léo Gagnon , Guillaume Lajoie

Current approaches to model-based offline reinforcement learning often incorporate uncertainty-based reward penalization to address the distributional shift problem. These approaches, commonly known as pessimistic value iteration, use Monte…

Machine Learning · Computer Science 2025-01-17 Abdullah Akgül , Manuel Haußmann , Melih Kandemir

We motivate Energy-Based Models (EBMs) as a promising model class for continual learning problems. Instead of tackling continual learning via the use of external memory, growing models, or regularization, EBMs change the underlying training…

Machine Learning · Computer Science 2025-03-05 Shuang Li , Yilun Du , Gido M. van de Ven , Igor Mordatch

Data-driven offline model-based optimization (MBO) is an established practical approach to black-box computational design problems for which the true objective function is unknown and expensive to query. However, the standard approach which…

Machine Learning · Computer Science 2023-04-03 Sathvik Kolli

This work explores use of novel advances in best subset selection for regression modelling via continuous optimization for offline change point detection and estimation in univariate Gaussian data sequences. The approach exploits…

Methodology · Statistics 2024-07-08 Hans Reimann , Sarat Moka , Georgy Sofronov

We study the problem of conservative off-policy evaluation (COPE) where given an offline dataset of environment interactions, collected by other agents, we seek to obtain a (tight) lower bound on a policy's performance. This is crucial when…

Machine Learning · Computer Science 2023-05-29 Jonas Rothfuss , Bhavya Sukhija , Tobias Birchler , Parnian Kassraie , Andreas Krause

Temporally contrastive representation learning induces a latent structure capable of reducing long-horizon planning to inference in a low-dimensional linear system. However, existing contrastive planning work learns a single latent geometry…

Machine Learning · Computer Science 2026-05-15 Yusuf Syed , Viraj Parimi , Brian Williams

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…

Machine Learning · Computer Science 2023-03-24 Zesheng Ye , Jing Du , Lina Yao

Offline reinforcement learning (RL) addresses the problem of learning a performant policy from a fixed batch of data collected by following some behavior policy. Model-based approaches are particularly appealing in the offline setting since…

Machine Learning · Computer Science 2023-03-06 Jihwan Jeong , Xiaoyu Wang , Michael Gimelfarb , Hyunwoo Kim , Baher Abdulhai , Scott Sanner

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

Boltzmann machines (BMs) are powerful energy-based generative models, but their heavy training cost has largely confined practical use to Restricted BMs (RBMs) trained with an efficient learning method called contrastive divergence. More…

Machine Learning · Computer Science 2025-12-03 Kentaro Kubo , Hayato Goto

Offline model-based reinforcement learning (MBRL) serves as a competitive framework that can learn well-performing policies solely from pre-collected data with the help of learned dynamics models. To fully unleash the power of offline MBRL,…

Machine Learning · Computer Science 2025-02-18 Yu-Wei Yang , Yun-Ming Chan , Wei Hung , Xi Liu , Ping-Chun Hsieh

Contrastive learning has become pivotal in unsupervised representation learning, with frameworks like Momentum Contrast (MoCo) effectively utilizing large negative sample sets to extract discriminative features. However, traditional…

Machine Learning · Computer Science 2025-01-29 Duy Hoang , Huy Ngo , Khoi Pham , Tri Nguyen , Gia Bao , Huy Phan

Offline model-based optimization (MBO) aims to identify a design that maximizes a black-box function using only a fixed, pre-collected dataset of designs and their corresponding scores. A common approach in offline MBO is to train a…

Machine Learning · Computer Science 2025-05-05 Rong-Xi Tan , Ke Xue , Shen-Huan Lyu , Haopu Shang , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian
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