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Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…

Machine Learning · Computer Science 2025-07-21 Mert Sehri , Zehui Hua , Francisco de Assis Boldt , Patrick Dumond

The committor function is a central object of study in understanding transitions between metastable states in complex systems. However, computing the committor function for realistic systems at low temperatures is a challenging task, due to…

Computational Physics · Physics 2019-09-04 Qianxiao Li , Bo Lin , Weiqing Ren

Learning-based methodologies increasingly find applications in safety-critical domains like autonomous driving and medical robotics. Due to the rare nature of dangerous events, real-world testing is prohibitively expensive and unscalable.…

Machine Learning · Computer Science 2021-08-10 Aman Sinha , Matthew O'Kelly , Russ Tedrake , John Duchi

Recognition of objects with subtle differences has been used in many practical applications, such as car model recognition and maritime vessel identification. For discrimination of the objects in fine-grained detail, we focus on deep…

Computer Vision and Pattern Recognition · Computer Science 2019-07-23 Kaan Karaman , Erhan Gundogdu , Aykut Koc , A. Aydin Alatan

A central challenge to applying many off-policy reinforcement learning algorithms to real world problems is the variance introduced by importance sampling. In off-policy learning, the agent learns about a different policy than the one being…

Machine Learning · Computer Science 2022-06-20 Eric Graves , Sina Ghiassian

Automated Vehicle (AV) validation based on simulated testing requires unbiased evaluation and high efficiency. One effective solution is to increase the exposure to risky rare events while reweighting the probability measure. However,…

Machine Learning · Computer Science 2024-09-25 Yichun Ye , He Zhang , Ye Tian , Jian Sun , Karl Meinke

Transferring a deep neural network trained on one problem to another requires only a small amount of data and little additional computation time. The same behaviour holds for ensembles of deep learning models typically superior to a single…

Machine Learning · Computer Science 2022-06-28 Ilya Shashkov , Nikita Balabin , Evgeny Burnaev , Alexey Zaytsev

This paper is about how to partition decision variables while decomposing a large-scale optimization problem for the best performance of distributed solution methods. Solving a large-scale optimization problem sequen- tially can be…

Optimization and Control · Mathematics 2017-10-26 Yuchen Zheng , Ilbin Lee , Nicoleta Serban

Consider making a prediction over new test data without any opportunity to learn from a training set of labelled data - instead given access to a set of expert models and their predictions alongside some limited information about the…

Machine Learning · Computer Science 2022-10-12 Alex J. Chan , Mihaela van der Schaar

Inference for models with recursively defined likelihoods is computationally demanding, limiting scalability to large datasets. We propose a stabilised weighted subsampling methodology for accelerated inference based on an unbiased…

Methodology · Statistics 2026-05-14 Matias Quiroz , Aishwarya Bhaskaran , Zixuan Wang , Thomas Goodwin

State-of-the-art machine learning models require access to significant amount of annotated data in order to achieve the desired level of performance. While unlabelled data can be largely available and even abundant, annotation process can…

Machine Learning · Computer Science 2020-10-15 Rahaf Aljundi , Nikolay Chumerin , Daniel Olmeda Reino

Perturb and Combine (P&C) group of methods generate multiple versions of the predictor by perturbing the training set or construction and then combining them into a single predictor (Breiman, 1996b). The motive is to improve the accuracy in…

Machine Learning · Computer Science 2016-10-05 Harsh Nisar , Bhanu Pratap Singh Rawat

We present a method to probe rare molecular dynamics trajectories directly using reinforcement learning. We consider trajectories that are conditioned to transition between regions of configuration space in finite time, like those relevant…

Statistical Mechanics · Physics 2022-01-07 Avishek Das , Dominic C. Rose , Juan P. Garrahan , David T. Limmer

The ensemble of deep neural networks has been shown, both theoretically and empirically, to improve generalization accuracy on the unseen test set. However, the high training cost hinders its efficiency since we need a sufficient number of…

Machine Learning · Computer Science 2021-12-28 Wentao Zhang , Jiawei Jiang , Yingxia Shao , Bin Cui

The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…

High Energy Physics - Experiment · Physics 2024-07-16 Francesco Vaselli , Filippo Cattafesta , Patrick Asenov , Andrea Rizzi

The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…

Computational Physics · Physics 2023-03-23 Sebastian Falkner , Alessandro Coretti , Christoph Dellago

In this article, we propose a new algorithm for supervised learning methods, by which one can both capture the non-linearity in data and also find the best subset model. To produce an enhanced subset of the original variables, an ideal…

Applications · Statistics 2017-01-23 Peyman Tavallali , Marianne Razavi , Sean Brady

We consider systems of slow--fast diffusions with small noise in the slow component. We construct provably logarithmic asymptotically optimal importance schemes for the estimation of rare events based on the moderate deviations principle.…

Probability · Mathematics 2020-01-07 Matthew R. Morse , Konstantinos Spiliopoulos

We present a technique using data depth functions and resampling to perform best subset variable selection for a wide range of statistical models. We do this by assigning a score, called an $e$-value, to a candidate model, and use a fast…

Methodology · Statistics 2017-11-29 Subhabrata Majumdar , Snigdhansu Chatterjee

Many processes of scientific and technological interest are characterized by time scales that render their simulation impossible if one uses present day simulation capabilities. To overcome this challenge a variety of enhanced simulation…

Statistical Mechanics · Physics 2019-02-26 Z. Faidon Brotzakis , Dan Mendels , Michele Parrinello