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Molecule pretraining has quickly become the go-to schema to boost the performance of AI-based drug discovery. Naturally, molecules can be represented as 2D topological graphs or 3D geometric point clouds. Although most existing pertaining…

Machine Learning · Computer Science 2025-02-10 Shengchao Liu , Weitao Du , Zhiming Ma , Hongyu Guo , Jian Tang

Obstacle avoidance is a fundamental requirement for autonomous robots which operate in, and interact with, the real world. When perception is limited to monocular vision avoiding collision becomes significantly more challenging due to the…

Robotics · Computer Science 2017-06-30 Linhai Xie , Sen Wang , Andrew Markham , Niki Trigoni

Deep Q Network (DQN) has several limitations when applied in planning a path in environment with a number of dilemmas according to our experiment. The reward function may be hard to model, and successful experience transitions are difficult…

Robotics · Computer Science 2021-07-26 Fei Zhang , Chaochen Gu , Feng Yang

With the rise of cloud computing and lightweight containers, Docker has emerged as a leading technology for rapid service deployment, with Kubernetes responsible for pod orchestration. However, for compute-intensive workloads-particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-21 Hanlin Zhou , Huah Yong Chan , Shun Yao Zhang , Meie Lin , Jingfei Ni

Recently, a deep reinforcement learning method is proposed to solve multiobjective optimization problem. In this method, the multiobjective optimization problem is decomposed to a number of single-objective optimization subproblems and all…

Neural and Evolutionary Computing · Computer Science 2020-02-14 Hong Wu , Jiahai Wang , Zizhen Zhang

The quantum internet holds transformative potential for global communication by harnessing the principles of quantum information processing. Despite significant advancements in quantum communication technologies, the efficient distribution…

Quantum Physics · Physics 2025-03-06 Lamarana Jallow , Majid Iqbal Khan

Despite the rapid and significant advancements in deep learning for Quantitative Structure-Activity Relationship (QSAR) models, the challenge of learning robust molecular representations that effectively generalize in real-world scenarios…

Machine Learning · Computer Science 2024-05-28 Jose Arjona-Medina , Ramil Nugmanov

Manipulate and control of the complex quantum system with high precision are essential for achieving universal fault tolerant quantum computing. For a physical system with restricted control resources, it is a challenge to control the…

Quantum Physics · Physics 2021-01-20 Zheng An , Qi-Kai He , Hai-Jing Song , D. L. Zhou

Molecular docking (MD) is a crucial task in drug design, which predicts the position, orientation, and conformation of the ligand when bound to a target protein. It can be interpreted as a combinatorial optimization problem, where quantum…

Chemical Physics · Physics 2024-04-15 Yunting Li , Xiaopeng Cui , Zhaoping Xiong , Bowen Liu , Bi-Ying Wang , Runqiu Shu , Nan Qiao , Man-Hong Yung

Learning how to act when there are many available actions in each state is a challenging task for Reinforcement Learning (RL) agents, especially when many of the actions are redundant or irrelevant. In such cases, it is sometimes easier to…

Machine Learning · Computer Science 2019-02-26 Tom Zahavy , Matan Haroush , Nadav Merlis , Daniel J. Mankowitz , Shie Mannor

While contemporary reinforcement learning research and applications have embraced policy gradient methods as the panacea of solving learning problems, value-based methods can still be useful in many domains as long as we can wrangle with…

Machine Learning · Computer Science 2024-07-16 Ashwin Ramaswamy , Ransalu Senanayake

Training generative adversarial networks (GAN) in a distributed fashion is a promising technology since it is contributed to training GAN on a massive of data efficiently in real-world applications. However, GAN is known to be difficult to…

Machine Learning · Computer Science 2020-10-27 Xiaojun Chen , Shu Yang , Li Shen , Xuanrong Pang

We propose a framework for distributed robust statistical learning on {\em big contaminated data}. The Distributed Robust Learning (DRL) framework can reduce the computational time of traditional robust learning methods by several orders of…

Machine Learning · Statistics 2015-02-10 Jiashi Feng , Huan Xu , Shie Mannor

As the number of devices getting connected to the vehicular network grows exponentially, addressing the numerous challenges of effectively allocating spectrum in dynamic vehicular environment becomes increasingly difficult. Traditional…

Signal Processing · Electrical Eng. & Systems 2024-10-17 Riya Dinesh Deshpande , Faheem A. Khan , Qasim Zeeshan Ahmed

In domains such as health care and finance, shortage of labeled data and computational resources is a critical issue while developing machine learning algorithms. To address the issue of labeled data scarcity in training and deployment of…

Machine Learning · Computer Science 2018-10-16 Otkrist Gupta , Ramesh Raskar

The deep reinforcement learning method usually requires a large number of training images and executing actions to obtain sufficient results. When it is extended a real-task in the real environment with an actual robot, the method will be…

Computer Vision and Pattern Recognition · Computer Science 2018-06-05 Daiki Kimura

The practical realization of quantum programs that require large-scale qubit systems is hindered by current technological limitations. Distributed Quantum Computing (DQC) presents a viable path to scalability by interconnecting multiple…

Multi-Agent Reinforcement Learning (MARL) is useful in many problems that require the cooperation and coordination of multiple agents. Learning optimal policies using reinforcement learning in a multi-agent setting can be very difficult as…

Machine Learning · Computer Science 2022-05-31 Rafael Pina , Varuna De Silva , Joosep Hook , Ahmet Kondoz

Deep Q-Learning is an important reinforcement learning algorithm, which involves training a deep neural network, called Deep Q-Network (DQN), to approximate the well-known Q-function. Although wildly successful under laboratory conditions,…

Machine Learning · Computer Science 2021-04-13 Arunselvan Ramaswamy , Eyke Hüllermeier

This paper develops a model-free volt-VAR optimization (VVO) algorithm via multi-agent deep reinforcement learning (MADRL) in unbalanced distribution systems. This method is novel since we cast the VVO problem in unbalanced distribution…

Systems and Control · Electrical Eng. & Systems 2020-04-21 Ying Zhang , Xinan Wang , Jianhui Wang , Yingchen Zhang