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In adaptive-bias enhanced sampling methods, a bias potential is added to the system to drive transitions between metastable states. The bias potential is a function of a few collective variables and is gradually modified according to the…

Computational Physics · Physics 2022-05-30 Michele Invernizzi , Michele Parrinello

We consider a team of reinforcement learning agents that concurrently learn to operate in a common environment. We identify three properties - adaptivity, commitment, and diversity - which are necessary for efficient coordinated exploration…

Artificial Intelligence · Computer Science 2018-12-18 Maria Dimakopoulou , Benjamin Van Roy

Objective: This paper investigates the potential of ensemble learning for variants of adjustment methods used in analogy-based effort estimation. The number k of analogies to be used is also investigated. Method We perform a large scale…

Software Engineering · Computer Science 2017-03-20 Mohammad Azzeh , Ali Bou Nassif , Leandro L Minku

Randomized A/B comparisons of alternative pedagogical strategies or other course improvements could provide useful empirical evidence for instructor decision-making. However, traditional experiments do not provide a straightforward pathway…

Human-Computer Interaction · Computer Science 2024-06-10 Ilya Musabirov , Angela Zavaleta-Bernuy , Pan Chen , Michael Liut , Joseph Jay Williams

Thompson sampling has emerged as an effective heuristic for a broad range of online decision problems. In its basic form, the algorithm requires computing and sampling from a posterior distribution over models, which is tractable only for…

Machine Learning · Statistics 2023-04-26 Xiuyuan Lu , Benjamin Van Roy

Sampling from high-dimensional distributions is a fundamental problem in statistical research and practice. However, great challenges emerge when the target density function is unnormalized and contains isolated modes. We tackle this…

Methodology · Statistics 2023-04-11 Yixuan Qiu , Xiao Wang

We discuss a variant of Thompson sampling for nonparametric reinforcement learning in a countable classes of general stochastic environments. These environments can be non-Markov, non-ergodic, and partially observable. We show that Thompson…

Machine Learning · Computer Science 2016-06-06 Jan Leike , Tor Lattimore , Laurent Orseau , Marcus Hutter

As the cornerstone of modern portfolio theory, Markowitz's mean-variance optimization is considered a major model adopted in portfolio management. However, due to the difficulty of estimating its parameters, it cannot be applied to all…

Machine Learning · Computer Science 2019-11-15 Mengying Zhu , Xiaolin Zheng , Yan Wang , Yuyuan Li , Qianqiao Liang

We investigate improving Monte Carlo Tree Search based solvers for Partially Observable Markov Decision Processes (POMDPs), when applied to adaptive sampling problems. We propose improvements in rollout allocation, the action exploration…

Robotics · Computer Science 2021-09-27 Gautam Salhotra , Christopher E. Denniston , David A. Caron , Gaurav S. Sukhatme

Our article is concerned with adaptive sampling schemes for Bayesian inference that update the proposal densities using previous iterates. We introduce a copula based proposal density which is made more efficient by combining it with…

Methodology · Statistics 2010-02-26 Ralph Silva , Robert Kohn , Paolo Giordani , Xiuyan Mun

In this letter we revisit the problem of optimal design of quantum tomographic experiments. In contrast to previous approaches where an optimal set of measurements is decided in advance of the experiment, we allow for measurements to be…

Quantum Physics · Physics 2017-02-28 Ferenc Huszár , Neil M. T. Houlsby

This paper studies transfer learning for estimating the mean of random functions based on discretely sampled data, where, in addition to observations from the target distribution, auxiliary samples from similar but distinct source…

Statistics Theory · Mathematics 2024-03-29 T. Tony Cai , Dongwoo Kim , Hongming Pu

A new approach of obtaining stratified random samples from statistically dependent random variables is described. The proposed method can be used to obtain samples from the input space of a computer forward model in estimating expectations…

Methodology · Statistics 2019-11-25 Anirban Mondal , Abhijit Mandal

This paper considers sequential adaptive estimation of sparse signals under a constraint on the total sensing effort. The advantage of adaptivity in this context is the ability to focus more resources on regions of space where signal…

Methodology · Statistics 2013-04-03 Dennis Wei , Alfred O. Hero

Sampling is an important tool for estimating large, complex sums and integrals over high dimensional spaces. For instance, important sampling has been used as an alternative to exact methods for inference in belief networks. Ideally, we…

Artificial Intelligence · Computer Science 2013-01-18 Luis E. Ortiz , Leslie Pack Kaelbling

Background: It has long been advised to account for baseline covariates in the analysis of confirmatory randomised trials, with the main statistical justifications being that this increases power and, when a randomisation scheme balanced…

Methodology · Statistics 2021-12-09 Tim P. Morris , A. Sarah Walker , Elizabeth J. Williamson , Ian R. White

Efficient sampling in biomolecular simulations is critical for accurately capturing the complex dynamical behaviors of biological systems. Adaptive sampling techniques aim to improve efficiency by focusing computational resources on the…

Biomolecules · Quantitative Biology 2024-10-22 Hassan Nadeem , Diwakar Shukla

Sampling is often a necessary evil to reduce the processing and storage costs of distributed tracing. In this work, we describe a scalable and adaptive sampling approach that can preserve events of interest better than the widely used…

Data Structures and Algorithms · Computer Science 2021-07-19 Otmar Ertl

Consistent distillation methods have evolved into effective techniques that significantly accelerate the sampling process of diffusion models. Although existing methods have achieved remarkable results, the selection of target timesteps…

Computer Vision and Pattern Recognition · Computer Science 2025-09-17 Qi Wang , Shuliang Zhu , Jinjia Zhou

Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…

Biomolecules · Quantitative Biology 2023-07-20 Diego E. Kleiman , Hassan Nadeem , Diwakar Shukla