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In many applications, data can be heterogeneous in the sense of spanning latent groups with different underlying distributions. When predictive models are applied to such data the heterogeneity can affect both predictive performance and…

Machine Learning · Statistics 2022-05-04 Thomas Lartigue , Sach Mukherjee

Reward models (RMs) are essential for aligning Large Language Models (LLMs) with human preferences. However, they often struggle with capturing complex human preferences and generalizing to unseen data. To address these challenges, we…

Computation and Language · Computer Science 2025-08-06 Anamika Lochab , Ruqi Zhang

Energy-based models (EBMs) provide an elegant framework for density estimation, but they are notoriously difficult to train. Recent work has established links to generative adversarial networks, where the EBM is trained through a minimax…

Machine Learning · Computer Science 2021-11-03 Cong Geng , Jia Wang , Zhiyong Gao , Jes Frellsen , Søren Hauberg

Energy-based models (EBMs), a.k.a. un-normalized models, have had recent successes in continuous spaces. However, they have not been successfully applied to model text sequences. While decreasing the energy at training samples is…

Machine Learning · Computer Science 2019-11-26 Anton Bakhtin , Sam Gross , Myle Ott , Yuntian Deng , Marc'Aurelio Ranzato , Arthur Szlam

Machine learning based computational intelligence methods are widely used to analyze large scale data sets in this age of big data. Extracting useful predictive modeling from these types of data sets is a challenging problem due to their…

Machine Learning · Computer Science 2016-02-10 Ferhat Özgür Çatak

Discrete structures play an important role in applications like program language modeling and software engineering. Current approaches to predicting complex structures typically consider autoregressive models for their tractability, with…

Machine Learning · Computer Science 2020-11-12 Hanjun Dai , Rishabh Singh , Bo Dai , Charles Sutton , Dale Schuurmans

Most techniques for explainable machine learning focus on feature attribution, i.e., values are assigned to the features such that their sum equals the prediction. Example attribution is another form of explanation that assigns weights to…

Machine Learning · Computer Science 2025-02-28 Genghua Dong , Henrik Boström , Michalis Vazirgiannis , Roman Bresson

Ensemble learning combines several individual models to obtain a better generalization performance. In this work we present a practical method for estimating the joint power of several classifiers. It differs from existing approaches which…

Artificial Intelligence · Computer Science 2023-12-22 Simi Haber , Yonatan Wexler

We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary…

Machine Learning · Computer Science 2025-11-20 Dongyeop Woo , Minsu Kim , Minkyu Kim , Kiyoung Seong , Sungsoo Ahn

We present a new method of training energy-based models (EBMs) for anomaly detection that leverages low-dimensional structures within data. The proposed algorithm, Manifold Projection-Diffusion Recovery (MPDR), first perturbs a data point…

Machine Learning · Computer Science 2023-10-31 Sangwoong Yoon , Young-Uk Jin , Yung-Kyun Noh , Frank C. Park

We introduce the Generalized Energy Based Model (GEBM) for generative modelling. These models combine two trained components: a base distribution (generally an implicit model), which can learn the support of data with low intrinsic…

Machine Learning · Statistics 2021-12-22 Michael Arbel , Liang Zhou , Arthur Gretton

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner.…

Machine Learning · Computer Science 2024-06-05 Songtao Liu , Hanjun Dai , Yue Zhao , Peng Liu

Global Autoregressive Models (GAMs) are a recent proposal [Parshakova et al., CoNLL 2019] for exploiting global properties of sequences for data-efficient learning of seq2seq models. In the first phase of training, an Energy-Based model…

Machine Learning · Computer Science 2019-12-19 Tetiana Parshakova , Jean-Marc Andreoli , Marc Dymetman

Autoregressive models (ARMs) currently constitute the dominant paradigm for large language models (LLMs). Energy-based models (EBMs) represent another class of models, which have historically been less prevalent in LLM development, yet…

Machine Learning · Computer Science 2026-05-26 Mathieu Blondel , Michael E. Sander , Germain Vivier-Ardisson , Tianlin Liu , Vincent Roulet

Training on class-imbalanced data usually results in biased models that tend to predict samples into the majority classes, which is a common and notorious problem. From the perspective of energy-based model, we demonstrate that the free…

Machine Learning · Computer Science 2021-06-08 Bowen Zhao , Chen Chen , Qi Ju , ShuTao Xia

Model-based reinforcement learning could enable sample-efficient learning by quickly acquiring rich knowledge about the world and using it to improve behaviour without additional data. Learned dynamics models can be directly used for…

Machine Learning · Computer Science 2019-10-15 Rinu Boney , Juho Kannala , Alexander Ilin

Recently there has been growing interest in modeling sets with exchangeability such as point clouds. A shortcoming of current approaches is that they restrict the cardinality of the sets considered or can only express limited forms of…

Machine Learning · Computer Science 2020-12-14 Mengjiao Yang , Bo Dai , Hanjun Dai , Dale Schuurmans

Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…

Chemical Physics · Physics 2021-12-10 Ruoxi Sun , Hanjun Dai , Li Li , Steven Kearnes , Bo Dai

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

This paper proposes a joint training method to learn both the variational auto-encoder (VAE) and the latent energy-based model (EBM). The joint training of VAE and latent EBM are based on an objective function that consists of three…

Computer Vision and Pattern Recognition · Computer Science 2020-06-12 Tian Han , Erik Nijkamp , Linqi Zhou , Bo Pang , Song-Chun Zhu , Ying Nian Wu