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In this work, the development and implementation of the effective stochastic potential (ESP) method is presented to perform efficient conformational sampling of molecules. The overarching goal of this work is to alleviate the computational…

Chemical Physics · Physics 2018-08-01 Jeremy A. Scher , Michael G. Bayne , Amogh Srihari , Shikha Nangia , Arindam Chakraborty

We present Evo-Sparrow, a deep learning-based agent for AI decision-making in Sparrow Mahjong, trained by optimizing Long Short-Term Memory (LSTM) networks using Covariance Matrix Adaptation Evolution Strategy (CMA-ES). Our model evaluates…

Neural and Evolutionary Computing · Computer Science 2025-08-12 Jim O'Connor , Derin Gezgin , Gary B. Parker

Convergent evolution provides a useful framework for testing whether independent origins of similar traits share common genetic mechanisms. Evolutionary Sparse Learning with Paired Species Contrast (ESL-PSC) is an approach to identify genes…

Populations and Evolution · Quantitative Biology 2026-05-28 John B. Allard , Sudhir Kumar

Surrogate algorithms such as Bayesian optimisation are especially designed for black-box optimisation problems with expensive objectives, such as hyperparameter tuning or simulation-based optimisation. In the literature, these algorithms…

Machine Learning · Computer Science 2024-03-14 Laurens Bliek , Arthur Guijt , Rickard Karlsson , Sicco Verwer , Mathijs de Weerdt

Using electronic health records data and machine learning to guide future decisions needs to address challenges, including 1) long/short-term dependencies and 2) interactions between diseases and interventions. Bidirectional transformers…

Machine Learning · Computer Science 2024-02-13 Ali Amirahmadi , Mattias Ohlsson , Kobra Etminani , Olle Melander , Jonas Björk

Deep Reinforcement Learning (RL) has emerged as a powerful method for addressing complex control problems, particularly those involving underactuated robotic systems. However, in some cases, policies may require refinement to achieve…

Robotics · Computer Science 2025-07-15 Marco Calì , Alberto Sinigaglia , Niccolò Turcato , Ruggero Carli , Gian Antonio Susto

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

Theoretical analyses of evolution strategies are indispensable for gaining a deep understanding of their inner workings. For constrained problems, rather simple problems are of interest in the current research. This work presents a…

Neural and Evolutionary Computing · Computer Science 2019-08-12 Patrick Spettel , Hans-Georg Beyer

Recent advances in machine learning, specifically transformer architecture, have led to significant advancements in commercial domains. These powerful models have demonstrated superior capability to learn complex relationships and often…

Machine Learning · Computer Science 2024-05-29 Matthew L. Olson , Shusen Liu , Jayaraman J. Thiagarajan , Bogdan Kustowski , Weng-Keen Wong , Rushil Anirudh

Covariate balance is a conventional key diagnostic for methods used estimating causal effects from observational studies. Recently, there is an emerging interest in directly incorporating covariate balance in the estimation. We study a…

Methodology · Statistics 2017-02-14 Qingyuan Zhao , Daniel Percival

Evolutionary optimization algorithms are often derived from loose biological analogies and struggle to leverage information obtained during the sequential course of optimization. An alternative promising approach is to leverage data and…

Artificial Intelligence · Computer Science 2024-03-06 Robert Tjarko Lange , Yingtao Tian , Yujin Tang

In recent years, self-supervised learning methods have shown significant improvement for pre-training with unlabeled data and have proven helpful for electrocardiogram signals. However, most previous pre-training methods for…

Machine Learning · Computer Science 2022-03-21 Jungwoo Oh , Hyunseung Chung , Joon-myoung Kwon , Dong-gyun Hong , Edward Choi

Adaptive experimental designs have gained increasing attention across a range of domains. In this paper, we propose a new methodological framework, surrogate-leveraged online adaptive causal inference (SLOACI), which integrates predictive…

Methodology · Statistics 2025-12-09 Yingying Fan , Zihan Wang , Waverly Wei

Designing controllers for robot swarms is challenging, because human developers have typically no good understanding of the link between the details of a controller that governs individual robots and the swarm behavior that is an indirect…

A central capability of a long-lived reinforcement learning (RL) agent is to incrementally adapt its behavior as its environment changes, and to incrementally build upon previous experiences to facilitate future learning in real-world…

Machine Learning · Computer Science 2021-02-15 Zhi Wang , Chunlin Chen , Daoyi Dong

Supervised Learning is a way of developing Artificial Intelligence systems in which a computer algorithm is trained on labeled data inputs. Effectiveness of a Supervised Learning algorithm is determined by its performance on a given dataset…

Computers and Society · Computer Science 2024-10-29 Shubhi Bansal , Atharva Tendulkar , Nagendra Kumar

This paper discusses the application of L1-regularized maximum entropy modeling or SL1-Max [9] to multiclass categorization problems. A new modification to the SL1-Max fast sequential learning algorithm is proposed to handle conditional…

Machine Learning · Computer Science 2007-05-23 Patrick Haffner , Steven Phillips , Rob Schapire

Adaptive subgroup enrichment design is an efficient design framework that allows accelerated development for investigational treatments while also having flexibility in population selection within the course of the trial. The adaptive…

Methodology · Statistics 2022-10-21 Liwen Wu , Qing Li , Mengya Liu , Jianchang Lin

We developed an explainable artificial intelligence (AI) early warning score (xAI-EWS) system for early detection of acute critical illness. While maintaining a high predictive performance, our system explains to the clinician on which…

Optimisation problems, particularly combinatorial optimisation problems, are difficult to solve due to their complexity and hardness. Such problems have been successfully solved by evolutionary and swarm intelligence algorithms, especially…

Neural and Evolutionary Computing · Computer Science 2024-01-12 Mehmet Emin Aydin , Rafet Durgut , Abdur Rakib