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Large-scale ride-hailing systems often combine real-time routing at the individual request level with a macroscopic Model Predictive Control (MPC) optimization for dynamic pricing and vehicle relocation. The MPC relies on a demand forecast…

Artificial Intelligence · Computer Science 2021-11-08 Enpeng Yuan , Pascal Van Hentenryck

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make…

Machine Learning · Computer Science 2023-10-26 Florian Felten , Daniel Gareev , El-Ghazali Talbi , Grégoire Danoy

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

A large-scale complex system comprising many, often spatially distributed, dynamical subsystems with partial autonomy and complex interactions are called system of systems. This paper describes an efficient algorithm for model predictive…

Optimization and Control · Mathematics 2019-04-25 Branimir Novoselnik , Vedrana Spudić , Mato Baotić

Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly…

Machine Learning · Computer Science 2026-04-28 Weimin Huang , Natalie M. Isenberg , Ján Drgoňa , Draguna L Vrabie , Bistra Dilkina

In the era of big data, a large amount of noisy and incomplete data can be collected from multiple sources for prediction tasks. Combining multiple models or data sources helps to counteract the effects of low data quality and the bias of…

Machine Learning · Statistics 2013-10-17 Sihong Xie , Xiangnan Kong , Jing Gao , Wei Fan , Philip S. Yu

Bayesian optimization works effectively optimizing parameters in black-box problems. However, this method did not work for high-dimensional parameters in limited trials. Parameters can be efficiently explored by nonlinearly embedding them…

Machine Learning · Computer Science 2022-06-14 Shoki Miyagawa , Atsuyoshi Yano , Naoko Sawada , Isamu Ogawa

Optimizing training performance in large language models (LLMs) remains an essential challenge, particularly in improving model performance while maintaining computational costs. This work challenges the conventional approach of training…

Computation and Language · Computer Science 2025-11-04 Chun-Hao Yang , Bo-Han Feng , Tzu-Yuan Lai , Yan Yu Chen , Yin-Kai Dean Huang , Shou-De Lin

Currently, machine learning (ML) methods are widely used to process the results of physical experiments. In some cases, due to the limited amount of experimental data, ML-models can be pre-trained on synthetic data simulated based on the…

Computational Physics · Physics 2022-09-22 Y. R. Rodimkov , V. D. Volokitin , I. B. Meyerov , E. S. Efimenko

Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body…

Chemical Physics · Physics 2025-12-01 Weilong Chen , Franz Görlich , Paul Fuchs , Julija Zavadlav

The performance of many algorithms in the fields of hard combinatorial problem solving, machine learning or AI in general depends on tuned hyperparameter configurations. Automated methods have been proposed to alleviate users from the…

Machine Learning · Computer Science 2019-08-23 André Biedenkapp , H. Furkan Bozkurt , Frank Hutter , Marius Lindauer

The integration of Model Predictive Control (MPC) and Reinforcement Learning (RL) has emerged as a promising paradigm for constrained decision-making and adaptive control. MPC offers structured optimization, explicit constraint handling,…

Minimizing job scheduling time is a fundamental issue in data center networks that has been extensively studied in recent years. The incoming jobs require different CPU and memory units, and span different number of time slots. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-21 Weijia Chen , Yuedong Xu , Xiaofeng Wu

The field of Quantum Machine Learning (QML) has emerged recently in the hopes of finding new machine learning protocols or exponential speedups for classical ones. Apart from problems with vanishing gradients and efficient encoding methods,…

Machine Learning · Computer Science 2023-10-17 Hannah Helgesen , Michael Felsberg , Jan-Åke Larsson

We propose Bayesian Conformal Prediction (BCP), a framework that combines Bayesian posterior predictive distributions with PAC-style conformal risk control to produce prediction sets with finite-sample coverage guarantees. Standard…

Machine Learning · Computer Science 2026-05-11 Fanyi Wu , Veronika Lohmanova , Samuel Kaski , Michele Caprio

Model-free Reinforcement Learning (RL) works well when experience can be collected cheaply and model-based RL is effective when system dynamics can be modeled accurately. However, both assumptions can be violated in real world problems such…

Machine Learning · Computer Science 2020-05-07 Mohak Bhardwaj , Ankur Handa , Dieter Fox , Byron Boots

The problem of scheduling of workloads onto heterogeneous processors (e.g., CPUs, GPUs, FPGAs) is of fundamental importance in modern data centers. Current system schedulers rely on application/system-specific heuristics that have to be…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-01 Subho S Banerjee , Saurabh Jha , Zbigniew T. Kalbarczyk , Ravishankar K. Iyer

Learning robot controllers by minimizing a black-box objective cost using Bayesian optimization (BO) can be time-consuming and challenging. It is very often the case that some roll-outs result in failure behaviors, causing premature…

Machine Learning · Computer Science 2020-11-11 Alonso Marco , Dominik Baumann , Philipp Hennig , Sebastian Trimpe

Recently, Machine Learning (ML) has become a widely accepted method for significant progress that is rapidly evolving. Since it employs computational methods to teach machines and produce acceptable answers. The significance of the Machine…

Machine Learning · Computer Science 2023-08-23 Samar Wazir , Gautam Siddharth Kashyap , Parag Saxena

In software engineering, the meticulous configuration of software tools is crucial in ensuring optimal performance within intricate systems. However, the complexity inherent in selecting optimal configurations is exacerbated by the…

Software Engineering · Computer Science 2023-12-12 Jai Kannan
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