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Estimating free energy is a fundamental problem in statistical mechanics. Recently, machine-learning-based methods, particularly the variational autoregressive networks (VANs) have been proposed to minimize variational free energy and to…

Statistical Mechanics · Physics 2025-02-12 Jing Liu , Ying Tang , Pan Zhang

We introduce a new multimodal optimization approach called Natural Variational Annealing (NVA) that combines the strengths of three foundational concepts to simultaneously search for multiple global and local modes of black-box nonconvex…

Machine Learning · Statistics 2025-12-18 Tâm LeMinh , Julyan Arbel , Thomas Möllenhoff , Mohammad Emtiyaz Khan , Florence Forbes

We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or…

We show that variational learning naturally induces an adaptive label smoothing where label noise is specialized for each example. Such label-smoothing is useful to handle examples with labeling errors and distribution shifts, but designing…

Machine Learning · Computer Science 2025-03-05 Sin-Han Yang , Zhedong Liu , Gian Maria Marconi , Mohammad Emtiyaz Khan

In semi-supervised learning, virtual adversarial training (VAT) approach is one of the most attractive method due to its intuitional simplicity and powerful performances. VAT finds a classifier which is robust to data perturbation toward…

Machine Learning · Statistics 2019-09-17 Dongha Kim , Yongchan Choi , Yongdai Kim

Many computationally-efficient methods for Bayesian deep learning rely on continuous optimization algorithms, but the implementation of these methods requires significant changes to existing code-bases. In this paper, we propose Vprop, a…

Machine Learning · Statistics 2017-12-05 Mohammad Emtiyaz Khan , Zuozhu Liu , Voot Tangkaratt , Yarin Gal

An emerging paradigm in vision-and-language navigation (VLN) is the use of history-aware multi-modal transformer models. Given a language instruction, these models process observation and navigation history to predict the most appropriate…

Computer Vision and Pattern Recognition · Computer Science 2025-08-14 Dongwoo Kang , Akhil Perincherry , Zachary Coalson , Aiden Gabriel , Stefan Lee , Sanghyun Hong

Despite the advances in the representational capacity of approximate distributions for variational inference, the optimization process can still limit the density that is ultimately learned. We demonstrate the drawbacks of biasing the true…

Machine Learning · Computer Science 2018-10-29 Chin-Wei Huang , Shawn Tan , Alexandre Lacoste , Aaron Courville

Black-box variational inference (BBVI) now sees widespread use in machine learning and statistics as a fast yet flexible alternative to Markov chain Monte Carlo methods for approximate Bayesian inference. However, stochastic optimization…

Machine Learning · Statistics 2025-09-22 Manushi Welandawe , Michael Riis Andersen , Aki Vehtari , Jonathan H. Huggins

Many problems in machine learning are naturally expressed in the language of undirected graphical models. Here, we propose black-box learning and inference algorithms for undirected models that optimize a variational approximation to the…

Machine Learning · Computer Science 2017-11-20 Volodymyr Kuleshov , Stefano Ermon

We develop VSD, a method for conditioning a generative model of discrete, combinatorial designs on a rare desired class by efficiently evaluating a black-box (e.g. experiment, simulation) in a batch sequential manner. We call this task…

Machine Learning · Statistics 2025-11-24 Daniel M. Steinberg , Rafael Oliveira , Cheng Soon Ong , Edwin V. Bonilla

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and multimodal parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of…

Machine Learning · Computer Science 2024-09-20 Arpan Biswas , Rama Vasudevan , Rohit Pant , Ichiro Takeuchi , Hiroshi Funakubo , Yongtao Liu

Variational inference (VI) provides a principled framework for estimating posterior distributions over model parameters, enabling explicit modeling of weight uncertainty during optimization. By capturing this uncertainty, VI improves the…

Audio and Speech Processing · Electrical Eng. & Systems 2026-01-21 Haolin Chen

Ordering has been extensively studied in many visualization applications, such as axis and matrix reordering, for the simple reason that the order will greatly impact the perceived pattern of data. Many quality metrics concerning data…

Machine Learning · Computer Science 2024-12-19 Zehua Yu , Weihan Zhang , Sihan Pan , Jun Tao

Newton's method leverages curvature information to boost performance, and thus outperforms first-order methods for distributed learning problems. However, Newton's method is not practical in large-scale and heterogeneous learning…

Machine Learning · Computer Science 2024-12-18 Shuzhen Chen , Yuan Yuan , Youming Tao , Tianzhu Wang , Zhipeng Cai , Dongxiao Yu

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such…

Machine Learning · Computer Science 2023-02-14 Tianyi Bai , Yang Li , Yu Shen , Xinyi Zhang , Wentao Zhang , Bin Cui

In statistical mechanics, computing the partition function is generally difficult. An approximation method using a variational autoregressive network (VAN) has been proposed recently. This approach offers the advantage of directly…

Disordered Systems and Neural Networks · Physics 2024-05-21 Yuta Tamura , Masayuki Ohzeki

We propose a black-box variational inference method to approximate intractable distributions with an increasingly rich approximating class. Our method, termed variational boosting, iteratively refines an existing variational approximation…

Machine Learning · Statistics 2017-02-21 Andrew C. Miller , Nicholas Foti , Ryan P. Adams

We introduce a class of acquisition functions for sample selection that leads to faster convergence in applications related to Bayesian experimental design and uncertainty quantification. The approach follows the paradigm of active…

Machine Learning · Statistics 2021-04-12 Antoine Blanchard , Themistoklis Sapsis

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators…

Machine Learning · Computer Science 2023-02-22 Jacob H. Seidman , Georgios Kissas , George J. Pappas , Paris Perdikaris
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