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We develop a new computational approach for "focused" optimal Bayesian experimental design with nonlinear models, with the goal of maximizing expected information gain in targeted subsets of model parameters. Our approach considers…

Computation · Statistics 2019-03-28 Chi Feng , Youssef M. Marzouk

The importance of interpretability of machine learning models has been increasing due to emerging enterprise predictive analytics, threat of data privacy, accountability of artificial intelligence in society, and so on. Piecewise linear…

Artificial Intelligence · Computer Science 2017-11-08 Masato Asahara , Ryohei Fujimaki

Long iterative training processes for Deep Neural Networks (DNNs) are commonly required to achieve state-of-the-art performance in many computer vision tasks. Importance sampling approaches might play a key role in budgeted training…

Computer Vision and Pattern Recognition · Computer Science 2021-10-28 Eric Arazo , Diego Ortego , Paul Albert , Noel E. O'Connor , Kevin McGuinness

A generic algorithm for the extraction of probabilistic (Bayesian) information about model parameters from data is presented. The algorithm propagates an ensemble of particles in the product space of model parameters and outputs. Each…

Computation · Statistics 2015-09-18 Carlo Albert

We propose a training-free conditional sampling method for flow matching models based on importance sampling. Because a na\"ive application of importance sampling suffers from weight degeneracy in high-dimensional settings, we modify and…

Machine Learning · Statistics 2026-02-16 Qianqian Qu , Jun S. Liu

A prominent goal of representation learning research is to achieve representations which are factorized in a useful manner with respect to the ground truth factors of variation. The fields of disentangled and equivariant representation…

Machine Learning · Computer Science 2023-09-26 Yue Song , T. Anderson Keller , Nicu Sebe , Max Welling

Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training efficiency and unpredictable errors when applied to structures…

Computational Physics · Physics 2019-11-21 Jonathan Vandermause , Steven B. Torrisi , Simon Batzner , Yu Xie , Lixin Sun , Alexie M. Kolpak , Boris Kozinsky

We introduce an extension to annealed importance sampling that uses Hamiltonian dynamics to rapidly estimate normalization constants. We demonstrate this method by computing log likelihoods in directed and undirected probabilistic image…

Machine Learning · Computer Science 2012-05-10 Jascha Sohl-Dickstein , Benjamin J. Culpepper

Model-free reinforcement learning has been successfully applied to a range of challenging problems, and has recently been extended to handle large neural network policies and value functions. However, the sample complexity of model-free…

Machine Learning · Computer Science 2016-03-03 Shixiang Gu , Timothy Lillicrap , Ilya Sutskever , Sergey Levine

Power-law scaling indicates that large-scale training with uniform sampling is prohibitively slow. Active learning methods aim to increase data efficiency by prioritizing learning on the most relevant examples. Despite their appeal, these…

Artificial Intelligence · Computer Science 2024-10-17 Talfan Evans , Shreya Pathak , Hamza Merzic , Jonathan Schwarz , Ryutaro Tanno , Olivier J. Henaff

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

Timestep sampling $p(t)$ is a central design choice in Flow Matching models, yet common practice increasingly favors static middle-biased distributions (e.g., Logit-Normal). We show that this choice induces a speed--quality trade-off:…

Machine Learning · Computer Science 2026-03-16 Pengwei Sun

Supervised deep learning requires a large amount of training samples with annotations (e.g. label class for classification task, pixel- or voxel-wised label map for segmentation tasks), which are expensive and time-consuming to obtain.…

Computer Vision and Pattern Recognition · Computer Science 2020-04-14 Yuanhan Mo , Shuo Wang , Chengliang Dai , Rui Zhou , Zhongzhao Teng , Wenjia Bai , Yike Guo

Annealed Importance Sampling (AIS) and its Sequential Monte Carlo (SMC) extensions are state-of-the-art methods for estimating normalizing constants of probability distributions. We propose here a novel Monte Carlo algorithm, Annealed Flow…

Machine Learning · Statistics 2021-07-12 Michael Arbel , Alexander G. D. G. Matthews , Arnaud Doucet

Physical based simulations can be very time and computationally demanding tasks. One way of accelerating these processes is by making use of data-driven surrogate models that learn from existing simulations. Ensembling methods are…

Machine Learning · Computer Science 2023-12-22 Anthony Kalaydjian , Anton Balykov , Alexi Semiz , Adrien Chan-Hon-Tong

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

Computation and Language · Computer Science 2022-05-10 Akim Tsvigun , Artem Shelmanov , Gleb Kuzmin , Leonid Sanochkin , Daniil Larionov , Gleb Gusev , Manvel Avetisian , Leonid Zhukov

Accurate and efficient fluid flow models are essential for applications relating to many physical phenomena including geophysical, aerodynamic, and biological systems. While these flows may exhibit rich and multiscale dynamics, in many…

Fluid Dynamics · Physics 2024-08-27 Benjamin D. Shaffer , Jeremy R. Vorenberg , M. Ani Hsieh

Bayesian filtering for high-dimensional nonlinear stochastic dynamical systems is a fundamental yet challenging problem in many fields of science and engineering. Existing methods face significant obstacles: Gaussian-based filters struggle…

Numerical Analysis · Mathematics 2025-03-06 Xintong Wang , Xiaofei Guan , Ling Guo , Hao Wu

This paper introduces a novel framework for enhancing Random Forest classifiers by integrating probabilistic feature sampling and hyperparameter tuning via Simulated Annealing. The proposed framework exhibits substantial advancements in…

Machine Learning · Computer Science 2025-11-12 Kowshik Balasubramanian , Andre Williams , Ismail Butun

Recently developed generative methods, including invertible rescaling network (IRN) based and generative adversarial network (GAN) based methods, have demonstrated exceptional performance in image rescaling. However, IRN-based methods tend…

Computer Vision and Pattern Recognition · Computer Science 2024-05-14 Jinmin Li , Tao Dai , Jingyun Zhang , Kang Liu , Jun Wang , Shaoming Wang , Shu-Tao Xia , Rizen Guo