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A new approach for efficiently exploring the configuration space and computing the free energy of large atomic and molecular systems is proposed, motivated by an analogy with reinforcement learning. There are two major components in this…

Chemical Physics · Physics 2018-04-18 Linfeng Zhang , Han Wang , Weinan E

The remarkable performance of modern AI systems has been driven by unprecedented scales of data, computation, and energy -- far exceeding the resources required by human intelligence. This disparity highlights the need for new guiding…

Artificial Intelligence · Computer Science 2026-02-24 Alessandro Salatiello

Neural plasticity is an important functionality of human brain, in which number of neurons and synapses can shrink or expand in response to stimuli throughout the span of life. We model this dynamic learning process as an $L_0$-norm…

Neural and Evolutionary Computing · Computer Science 2021-05-04 Yang Li , Shihao Ji

We propose the introduction of nonlinear operation into the feature generation process in convolutional neural networks. This nonlinearity can be implemented in various ways. First we discuss the use of nonlinearities in the process of data…

Machine Learning · Computer Science 2019-05-30 Gavneet Singh Chadha , Andreas Schwung

Neural Module Networks, originally proposed for the task of visual question answering, are a class of neural network architectures that involve human-specified neural modules, each designed for a specific form of reasoning. In current…

Machine Learning · Computer Science 2019-11-11 Vardaan Pahuja , Jie Fu , Sarath Chandar , Christopher J. Pal

Neural networks achieve outstanding accuracy in classification and regression tasks. However, understanding their behavior still remains an open challenge that requires questions to be addressed on the robustness, explainability and…

Machine Learning · Computer Science 2021-05-13 Anna-Kathrin Kopetzki , Stephan Günnemann

To deal with the complexity of the new bigger and more complex generation of data, machine learning (ML) techniques are probably the first and foremost used. For ML algorithms to produce results in a reasonable amount of time, they need to…

Machine Learning · Computer Science 2020-01-10 Imen Chakroun , Tom Vander Aa , Thomas J. Ashby

When a neural network can learn multiple distinct algorithms to solve a task, how does it "choose" between them during training? To approach this question, we take inspiration from ecology: when multiple species coexist, they eventually…

Machine Learning · Computer Science 2024-05-28 Xiaoman Delores Ding , Zifan Carl Guo , Eric J. Michaud , Ziming Liu , Max Tegmark

Complex networks have recently attracted much interest due to their prevalence in nature and our daily lives [1, 2]. A critical property of a network is its resilience to random breakdown and failure [3-6], typically studied as a…

Physics and Society · Physics 2016-01-08 James P. Bagrow , Sune Lehmann , Yong-Yeol Ahn

Robust optimization is becoming increasingly important in machine learning applications. In this paper, we study a unified framework of robust submodular optimization. We study this problem both from a minimization and maximization…

Machine Learning · Computer Science 2021-03-22 Rishabh Iyer

New contributions in the field of iterative optimisation heuristics are often made in an iterative manner. Novel algorithmic ideas are not proposed in isolation, but usually as an extension of a preexisting algorithm. Although these…

Neural and Evolutionary Computing · Computer Science 2023-04-20 Diederick Vermetten , Fabio Caraffini , Anna V. Kononova , Thomas Bäck

This paper introduces a method to generate hierarchically modular networks with prescribed node degree list by link switching. Unlike many existing network generating models, our method does not use link probabilities to achieve modularity.…

Other Computer Science · Computer Science 2009-07-05 Susan Khor

In this study, we investigate how the updating of weights during forward operation and the computation of gradients during backpropagation impact the optimization process, training procedure, and overall performance of the neural network,…

Machine Learning · Computer Science 2024-07-10 Amir Noorizadegan , D. L. Young , Y. C. Hon , C. S. Chen

In reinforcement learning (RL), exploiting environmental symmetries can significantly enhance efficiency, robustness, and performance. However, ensuring that the deep RL policy and value networks are respectively equivariant and invariant…

Machine Learning · Computer Science 2024-12-31 Mirco Theile , Hongpeng Cao , Marco Caccamo , Alberto L. Sangiovanni-Vincentelli

A novel neural network (NN) approach is proposed for constrained optimization. The proposed method uses a specially designed NN architecture and training/optimization procedure called Neural Optimization Machine (NOM). The objective…

Machine Learning · Statistics 2022-08-10 Jie Chen , Yongming Liu

The architecture of biological networks has been reported to exhibit high level of modularity, and to some extent, topological modules of networks overlap with known functional modules. However, how the modular topology of the molecular…

Molecular Networks · Quantitative Biology 2007-09-07 Jing Zhao , Guo-Hui Ding , Lin Tao , Hong Yu , Zhong-Hao Yu , Jian-Hua Luo , Zhi-Wei Cao , Yi-Xue Li

The layered structure of deep neural networks hinders the use of numerous analysis tools and thus the development of its interpretability. Inspired by the success of functional brain networks, we propose a novel framework for…

Machine Learning · Computer Science 2022-05-25 Ben Zhang , Zhetong Dong , Junsong Zhang , Hongwei Lin

One of the distinguishing characteristics of modern deep learning systems is that they typically employ neural network architectures that utilize enormous numbers of parameters, often in the millions and sometimes even in the billions.…

Machine Learning · Statistics 2021-11-15 Ben Adlam , Jake Levinson , Jeffrey Pennington

Multi-Task Learning (MTL) aims at boosting the overall performance of each individual task by leveraging useful information contained in multiple related tasks. It has shown great success in natural language processing (NLP). Currently, a…

Computation and Language · Computer Science 2020-08-10 Jianquan Li , Xiaokang Liu , Wenpeng Yin , Min Yang , Liqun Ma , Yaohong Jin

Modularity for multilayer networks, also called multislice modularity, is parametric to a resolution factor and an inter-layer coupling factor. The former is useful to express layer-specific relevance and the latter quantifies the strength…

Social and Information Networks · Computer Science 2017-09-22 Alessia Amelio , Andrea Tagarelli
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