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Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Quantitative Methods · Quantitative Biology 2018-06-12 Duc Duy Nguyen , Guo-Wei Wei

In this work, we propose a new training method for finding minimum weight norm solutions in over-parameterized neural networks (NNs). This method seeks to improve training speed and generalization performance by framing NN training as a…

Machine Learning · Statistics 2018-06-22 Yamini Bansal , Madhu Advani , David D Cox , Andrew M Saxe

Geometric deep learning (GDL) has demonstrated huge power and enormous potential in molecular data analysis. However, a great challenge still remains for highly efficient molecular representations. Currently, covalent-bond-based molecular…

Computational Physics · Physics 2023-06-28 Cong Shen , Jiawei Luo , Kelin Xia

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…

Training deep neural networks with stochastic gradient descent (SGD) can often achieve zero training loss on real-world tasks although the optimization landscape is known to be highly non-convex. To understand the success of SGD for…

Machine Learning · Statistics 2020-06-15 Yiping Lu , Chao Ma , Yulong Lu , Jianfeng Lu , Lexing Ying

Generative models have attracted considerable attention for their ability to produce novel shapes. However, their application in mechanical design remains constrained due to the limited size and variability of available datasets. This study…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Yongmin Kwon , Namwoo Kang

We study the convergence of gradient flow for the training of deep neural networks. If Residual Neural Networks are a popular example of very deep architectures, their training constitutes a challenging optimization problem due notably to…

Machine Learning · Computer Science 2025-07-22 Raphaël Barboni , Gabriel Peyré , François-Xavier Vialard

Many networking tasks now employ deep learning (DL) to solve complex prediction and optimization problems. However, current design philosophy of DL-based algorithms entails intensive engineering overhead due to the manual design of deep…

Networking and Internet Architecture · Computer Science 2024-08-07 Duo Wu , Xianda Wang , Yaqi Qiao , Zhi Wang , Junchen Jiang , Shuguang Cui , Fangxin Wang

We consider the problem of optimization of deep learning models with smooth activation functions. While there exist influential results on the problem from the ``near initialization'' perspective, we shed considerable new light on the…

Machine Learning · Computer Science 2022-10-03 Arindam Banerjee , Pedro Cisneros-Velarde , Libin Zhu , Mikhail Belkin

Stochastic Gradient Descent (SGD) and its momentum variants form the backbone of deep learning optimization, yet the underlying dynamics of their gradient behavior remain insufficiently understood. In this work, we reinterpret gradient…

Machine Learning · Computer Science 2026-03-09 Zhipeng Yao , Rui Yu , Guisong Chang , Ying Li , Yu Zhang , Dazhou Li

We propose a deep reinforcement learning (DRL) methodology for the tracking, obstacle avoidance, and formation control of nonholonomic robots. By separating vision-based control into a perception module and a controller module, we can train…

Robotics · Computer Science 2019-11-19 Yanlin Zhou , Fan Lu , George Pu , Xiyao Ma , Runhan Sun , Hsi-Yuan Chen , Xiaolin Li , Dapeng Wu

Soil moisture is a key hydrological parameter that has significant importance to human society and the environment. Accurate modeling and monitoring of soil moisture in crop fields, especially in the root zone (top 100 cm of soil), is…

Machine Learning · Computer Science 2024-03-14 Jianxin Xie , Bing Yao , Zheyu Jiang

Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design…

Computational Engineering, Finance, and Science · Computer Science 2023-08-07 Anthony Sirico , Daniel R. Herber

Deep neural networks (DNNs) have demonstrated dominating performance in many fields; since AlexNet, networks used in practice are going wider and deeper. On the theoretical side, a long line of works has been focusing on training neural…

Machine Learning · Computer Science 2019-06-18 Zeyuan Allen-Zhu , Yuanzhi Li , Zhao Song

Deep reinforcement learning (DRL) shows promising potential for autonomous driving decision-making. However, DRL demands extensive computational resources to achieve a qualified policy in complex driving scenarios due to its low learning…

Robotics · Computer Science 2024-12-25 Hao Pang , Zhenpo Wang , Guoqiang Li

We analyze geometric aspects of the gradient descent algorithm in Deep Learning (DL), and give a detailed discussion of the circumstance that in underparametrized DL networks, zero loss minimization can generically not be attained. As a…

Machine Learning · Computer Science 2025-05-26 Thomas Chen , Patricia Muñoz Ewald

The framework of deep reinforcement learning (DRL) provides a powerful and widely applicable mathematical formalization for sequential decision-making. This paper present a novel DRL framework, termed \emph{$f$-Divergence Reinforcement…

Machine Learning · Computer Science 2021-12-15 Chen Gong , Qiang He , Yunpeng Bai , Zhou Yang , Xiaoyu Chen , Xinwen Hou , Xianjie Zhang , Yu Liu , Guoliang Fan

Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

Machine Learning · Statistics 2021-04-27 Adji B. Dieng

Topology impacts important network performance metrics, including link utilization, throughput and latency, and is of central importance to network operators. However, due to the combinatorial nature of network topology, it is extremely…

Networking and Internet Architecture · Computer Science 2026-03-04 Zhuoran Li , Xing Wang , Ling Pan , Lin Zhu , Zhendong Wang , Junlan Feng , Chao Deng , Longbo Huang

The subject of deep learning has recently attracted users of machine learning from various disciplines, including: medical diagnosis and bioinformatics, financial market analysis and online advertisement, speech and handwriting recognition,…

Machine Learning · Computer Science 2018-03-12 Charles K. Chui , Shao-Bo Lin , Ding-Xuan Zhou