arXiv subjects

Han Zheng

Publications and source records attributed to Han Zheng.

58 records · Page 4Linked to original sources

arXiv2021

An Extendible, Graph-Neural-Network-Based Approach for Accurate Force Field Development of Large Flexible Organic Molecules

An accurate force field is the key to the success of all molecular mechanics simulations on organic polymers and biomolecules. Accuracy beyond density functional theory is often needed to describe the intermolecular interactions, while most correlated wavefunction (CW) methods are prohibitively expensive for large molecules. Therefore, it posts a great challenge to develop an extendible ab initio force field for large flexible organic molecules at CW level of accuracy. In this work, we face this challenge by combining the physics-driven nonbonding potential with a data-driven subgraph neural network bonding model (named sGNN). Tests on polyethylene glycol polymer chains show that our strategy is highly accurate and robust for molecules of different sizes. Therefore, we can develop the force field from small molecular fragments (with sizes easily accessible to CW methods) and safely transfer it to large polymers, thus opening a new path to the next-generation organic force fields.

physics.chem-ph↗

arXiv2020

Cooperative Heterogeneous Deep Reinforcement Learning

Numerous deep reinforcement learning agents have been proposed, and each of them has its strengths and flaws. In this work, we present a Cooperative Heterogeneous Deep Reinforcement Learning (CHDRL) framework that can learn a policy by integrating the advantages of heterogeneous agents. Specifically, we propose a cooperative learning framework that classifies heterogeneous agents into two classes: global agents and local agents. Global agents are off-policy agents that can utilize experiences from the other agents. Local agents are either on-policy agents or population-based evolutionary algorithms (EAs) agents that can explore the local area effectively. We employ global agents, which are sample-efficient, to guide the learning of local agents so that local agents can benefit from sample-efficient agents and simultaneously maintain their advantages, e.g., stability. Global agents also benefit from effective local searches. Experimental studies on a range of continuous control tasks from the Mujoco benchmark show that CHDRL achieves better performance compared with state-of-the-art baselines.

cs.LG↗

arXiv2017

An optimal hierarchical clustering approach to segmentation of mobile LiDAR point clouds

This paper proposes a hierarchical clustering approach for the segmentation of mobile LiDAR point clouds. We perform the hierarchical clustering on unorganized point clouds based on a proximity matrix. The dissimilarity measure in the proximity matrix is calculated by the Euclidean distances between clusters and the difference of normal vectors at given points. The main contribution of this paper is that we succeed to optimize the combination of clusters in the hierarchical clustering. The combination is obtained by achieving the matching of a bipartite graph, and optimized by solving the minimum-cost perfect matching. Results show that the proposed optimal hierarchical clustering (OHC) succeeds to achieve the segmentation of multiple individual objects automatically and outperforms the state-of-the-art LiDAR point cloud segmentation approaches.

cs.CV↗

arXiv2016

Road Curb Extraction from Mobile LiDAR Point Clouds

Automatic extraction of road curbs from uneven, unorganized, noisy and massive 3D point clouds is a challenging task. Existing methods often project 3D point clouds onto 2D planes to extract curbs. However, the projection causes loss of 3D information which degrades the performance of the detection. This paper presents a robust, accurate and efficient method to extract road curbs from 3D mobile LiDAR point clouds. Our method consists of two steps: 1) extracting the candidate points of curbs based on the proposed novel energy function and 2) refining the candidate points using the proposed least cost path model. We evaluated our method on a large-scale of residential area (16.7GB, 300 million points) and an urban area (1.07GB, 20 million points) mobile LiDAR point clouds. Results indicate that the proposed method is superior to the state-of-the-art methods in terms of robustness, accuracy and efficiency. The proposed curb extraction method achieved a completeness of 78.62% and a correctness of 83.29%. These experiments demonstrate that the proposed method is a promising solution to extract road curbs from mobile LiDAR point clouds.

cs.CV↗