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We address protein structure prediction in the 3D Hydrophobic-Polar lattice model through two novel deep learning architectures. For proteins under 36 residues, our hybrid reservoir-based model combines fixed random projections with…

Machine Learning · Computer Science 2024-12-31 Giovanny Espitia , Yui Tik Pang , James C. Gumbart

Engineering desired Hamiltonian in quantum many-body systems is essential for applications such as quantum simulation, computation and sensing. Conventional quantum Hamiltonian engineering sequences are designed using human intuition based…

Quantum Physics · Physics 2022-11-17 Pai Peng , Xiaoyang Huang , Chao Yin , Linta Joseph , Chandrasekhar Ramanathan , Paola Cappellaro

The nuclear fuel loading pattern optimization problem belongs to the class of large-scale combinatorial optimization. It is also characterized by multiple objectives and constraints, which makes it impossible to solve explicitly. Stochastic…

Machine Learning · Computer Science 2023-07-18 Paul Seurin , Koroush Shirvan

In this work, we devise a new, general-purpose reinforcement learning strategy for the optimal control of parametric dynamical systems. Such problems frequently arise in applied sciences and engineering and entail a significant complexity…

Machine Learning · Computer Science 2026-02-12 Nicolò Botteghi , Stefania Fresca , Mengwu Guo , Andrea Manzoni

Deep reinforcement learning (DRL) has demonstrated its potential in solving complex manufacturing decision-making problems, especially in a context where the system learns over time with actual operation in the absence of training data. One…

Machine Learning · Computer Science 2023-04-14 Miguel Neves , Pedro Neto

In this paper, a deep reinforcement learning (DRL) method is proposed to address the problem of UAV navigation in an unknown environment. However, DRL algorithms are limited by the data efficiency problem as they typically require a huge…

Robotics · Computer Science 2020-08-07 Lei He , Nabil Aouf , James F. Whidborne , Bifeng Song

In distributed optimization, the practical problem-solving performance is essentially sensitive to algorithm selection, parameter setting, problem type and data pattern. Thus, it is often laborious to acquire a highly efficient method for a…

Optimization and Control · Mathematics 2024-01-04 Daokuan Zhu , Tianqi Xu , Jie Lu

The recent breakthroughs of deep reinforcement learning (DRL) technique in Alpha Go and playing Atari have set a good example in handling large state and actions spaces of complicated control problems. The DRL technique is comprised of (i)…

Artificial Intelligence · Computer Science 2017-10-12 Hongjia Li , Tianshu Wei , Ao Ren , Qi Zhu , Yanzhi Wang

Data processing and analytics are fundamental and pervasive. Algorithms play a vital role in data processing and analytics where many algorithm designs have incorporated heuristics and general rules from human knowledge and experience to…

Machine Learning · Computer Science 2022-02-07 Qingpeng Cai , Can Cui , Yiyuan Xiong , Wei Wang , Zhongle Xie , Meihui Zhang

Deep Reinforcement Learning (DRL) has recently spread into a range of domains within physics and engineering, with multiple remarkable achievements. Still, much remains to be explored before the capabilities of these methods are well…

Computational Engineering, Finance, and Science · Computer Science 2020-12-22 Jonathan Viquerat , Jean Rabault , Alexander Kuhnle , Hassan Ghraieb , Aurélien Larcher , Elie Hachem

Machine scheduling aims to optimize job assignments to machines while adhering to manufacturing rules and job specifications. This optimization leads to reduced operational costs, improved customer demand fulfillment, and enhanced…

Reinforcement learning (RL) applications, where an agent can simply learn optimal behaviors by interacting with the environment, are quickly gaining tremendous success in a wide variety of applications from controlling simple pendulums to…

Machine Learning · Computer Science 2022-01-28 Mariam Kiran , Melis Ozyildirim

Order picking is a pivotal operation in warehouses that directly impacts overall efficiency and profitability. This study addresses the dynamic order picking problem, a significant concern in modern warehouse management, where real-time…

Optimization and Control · Mathematics 2025-04-08 Sasan Mahmoudinazlou , Abhay Sobhanan , Hadi Charkhgard , Ali Eshragh , George Dunn

Deep Reinforcement Learning (DRL) is emerging as a promising approach to generate adaptive behaviors for robotic platforms. However, a major drawback of using DRL is the data-hungry training regime that requires millions of trial and error…

This paper presents the first deep reinforcement learning (DRL) framework to estimate the optimal Dynamic Treatment Regimes from observational medical data. This framework is more flexible and adaptive for high dimensional action and state…

Artificial Intelligence · Computer Science 2018-01-30 Ning Liu , Ying Liu , Brent Logan , Zhiyuan Xu , Jian Tang , Yanzhi Wang

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

De novo protein structure prediction from amino acid sequence is one of the most challenging problems in computational biology. As one of the extensively explored mathematical models for protein folding, Hydrophobic-Polar (HP) model enables…

Machine Learning · Computer Science 2018-12-06 Yanjun Li , Hengtong Kang , Ketian Ye , Shuyu Yin , Xiaolin Li

Deep reinforcement learning (DRL) has emerged as a powerful framework for solving sequential decision-making problems, achieving remarkable success in a wide range of applications, including game AI, autonomous driving, biomedicine, and…

Machine Learning · Computer Science 2025-05-14 Yinghan Sun , Hongxi Wang , Hua Chen , Wei Zhang

Packet routing is one of the fundamental problems in computer networks in which a router determines the next-hop of each packet in the queue to get it as quickly as possible to its destination. Reinforcement learning (RL) has been…

Networking and Internet Architecture · Computer Science 2019-11-15 Xinyu You , Xuanjie Li , Yuedong Xu , Hui Feng , Jin Zhao , Huaicheng Yan

Transformer-based architectures have recently propelled advances in sequence modeling across domains, but their application to the hydrophobic-hydrophilic (H-P) model for protein folding remains relatively unexplored. In this work, we adapt…

Machine Learning · Computer Science 2025-04-23 Peizheng Liu , Hitoshi Iba
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