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The present work provides a new approach to evolve ligand structures which represent possible drug to be docked to the active site of the target protein. The structure is represented as a tree where each non-empty node represents a…

Neural and Evolutionary Computing · Computer Science 2016-11-15 Avishek Ghosh , Arnab Ghosh , Arkabandhu Chowdhury , Jubin Hazra

Drug shortages pose critical risks to patient care and healthcare systems worldwide, yet the effectiveness of regulatory interventions remains poorly understood due to information asymmetries in pharmaceutical supply chains. We propose…

Multiagent Systems · Computer Science 2025-11-26 Mingxuan Cui , Yilan Jiang , Duo Zhou , Cheng Qian , Yuji Zhang , Qiong Wang

Real-time trajectory planning for unmanned aerial vehicles (UAVs) in dynamic environments remains a key challenge due to high computational demands and the need for fast, adaptive responses. Traditional Particle Swarm Optimization (PSO)…

Robotics · Computer Science 2026-04-15 Minze Li , Wei Zhao , Ran Chen , Mingqiang Wei

There has been significant attention given to developing data-driven methods for tailoring patient care based on individual patient characteristics. Dynamic treatment regimes formalize this through a sequence of decision rules that map…

Methodology · Statistics 2022-02-22 Eric J. Rose , Erica E. M. Moodie , Susan Shortreed

A framework is introduced for solving a sequence of slowly changing optimization problems, including those arising in regression and classification applications, using optimization algorithms such as stochastic gradient descent (SGD). The…

Machine Learning · Computer Science 2015-09-25 Craig Wilson , Venugopal V. Veeravalli

Wider adoption of the Grid concept has led to an increasing amount of federated computational, storage and visualisation resources being available to scientists and researchers. Distributed and heterogeneous nature of these resources…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-11-05 Aleksandar Lazarevic , Lionel Sacks , Ognjen Prnjat

Inventory management is a fundamental challenge in supply chain management. The challenge is compounded when the associated products have unpredictable demands. This study proposes an innovative optimization approach combining…

Optimization and Control · Mathematics 2024-02-20 Sarit Maitra

In clinical trials, there is potential to improve precision and reduce the required sample size by appropriately adjusting for baseline variables in the statistical analysis. This is called covariate adjustment. Despite recommendations by…

Methodology · Statistics 2022-06-20 Kelly Van Lancker , Joshua Betz , Michael Rosenblum

Real-world experiments involve batched & delayed feedback, non-stationarity, multiple objectives & constraints, and (often some) personalization. Tailoring adaptive methods to address these challenges on a per-problem basis is infeasible,…

Machine Learning · Computer Science 2024-11-11 Ethan Che , Daniel R. Jiang , Hongseok Namkoong , Jimmy Wang

We address the issue of control of a stochastic two-component granulation process in pharmaceutical applications through using Stochastic Model Predictive Control (SMPC) and model reduction to obtain the desired particle distribution. We…

Optimization and Control · Mathematics 2017-04-18 Negar Hashemian , Antonios Armaou

Production planning must account for uncertainty in a production system, arising from fluctuating demand forecasts. Therefore, this article focuses on the integration of updated customer demand into the rolling horizon planning cycle. We…

Econometrics · Economics 2024-09-27 Manuel Schlenkrich , Wolfgang Seiringer , Klaus Altendorfer , Sophie N. Parragh

In this paper, we propose a stochastic optimization method that adaptively controls the sample size used in the computation of gradient approximations. Unlike other variance reduction techniques that either require additional storage or the…

Optimization and Control · Mathematics 2017-11-01 Raghu Bollapragada , Richard Byrd , Jorge Nocedal

We introduce adaptive sampling methods for stochastic programs with deterministic constraints. First, we propose and analyze a variant of the stochastic projected gradient method where the sample size used to approximate the reduced…

Optimization and Control · Mathematics 2023-02-07 Florian Beiser , Brendan Keith , Simon Urbainczyk , Barbara Wohlmuth

Particle swarm optimization is a popular method for solving difficult optimization problems. There have been attempts to formulate the method in formal probabilistic or stochastic terms (e.g. bare bones particle swarm) with the aim to…

Neural and Evolutionary Computing · Computer Science 2012-11-19 Peter Andras

We consider the optimization of an uncertain objective over continuous and multi-dimensional decision spaces in problems in which we are only provided with observational data. We propose a novel algorithmic framework that is tractable,…

Machine Learning · Statistics 2018-10-30 Dimitris Bertsimas , Christopher McCord

We present new algorithms and fast implementations to find efficient approximations for modelling stochastic processes. For many numerical computations it is essential to develop finite approximations for stochastic processes. While the…

Optimization and Control · Mathematics 2020-12-03 Kipngeno Benard Kirui , Georg Ch. Pflug , Alois Pichler

Advanced inventory management in complex supply chains requires effective and robust nonlinear optimization due to the stochastic nature of supply and demand variations. Application of estimated gradients can boost up the convergence of…

Neural and Evolutionary Computing · Computer Science 2014-10-22 Tamás Varga , András Király , János Abonyi

Particle swarm optimization (PSO) is a well-known optimization algorithm that shows good performance in solving different optimization problems. However, PSO usually suffers from slow convergence. In this article, a reinforcement…

Neural and Evolutionary Computing · Computer Science 2023-04-05 Yin ShiYuan

The robustness of distributed optimization is an emerging field of study, motivated by various applications of distributed optimization including distributed machine learning, distributed sensing, and swarm robotics. With the rapid…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-29 Shuo Liu

Optimization is nothing but a mathematical technique which finds maxima or minima of any function of concern in some realistic region. Different optimization techniques are proposed which are competing for the best solution. Particle Swarm…

Neural and Evolutionary Computing · Computer Science 2019-03-29 Vishakha A Metre , Mr Pramod B Deshmukh