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The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing…

Machine Learning · Computer Science 2024-10-29 Zhengqi Liu , Shuhao Cao , Yuwen Li , Ludmil Zikatanov

Unified understanding of neuro networks (NNs) gets the users into great trouble because they have been puzzled by what kind of rules should be obeyed to optimize the internal structure of NNs. Considering the potential capability of random…

Machine Learning · Computer Science 2022-01-03 Ruiqi Mao , Rongxin Cui

Deep Neural Networks (DNNs) are intensively used to solve a wide variety of complex problems. Although powerful, such systems require manual configuration and tuning. To this end, we view DNNs as configurable systems and propose an…

Machine Learning · Computer Science 2019-04-10 Salah Ghamizi , Maxime Cordy , Mike Papadakis , Yves Le Traon

With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…

Machine Learning · Computer Science 2023-06-13 Yuwen Deng , Wang Kang , Wei W. Xing

This paper introduces a novel parametric activation function based on Wendland radial basis functions (RBFs) for deep neural networks. Wendland RBFs, known for their compact support, smoothness, and positive definiteness in approximation…

Machine Learning · Computer Science 2025-07-16 Majid Darehmiraki

Many neural network architectures rely on the choice of the activation function for each hidden layer. Given the activation function, the neural network is trained over the bias and the weight parameters. The bias catches the center of the…

Machine Learning · Computer Science 2019-10-01 Farnoush Farhadi , Vahid Partovi Nia , Andrea Lodi

The brain uses positive signals as a means of signaling. Forward interactions in the early visual cortex are also positive, realized by excitatory synapses. Only local interactions also include inhibition. Non-negative matrix factorization…

Machine Learning · Computer Science 2025-03-27 Mahbod Nouri , David Rotermund , Alberto Garcia-Ortiz , Klaus R. Pawelzik

Physics-Informed Neural Networks (PINNs) incorporate physics into neural networks by embedding partial differential equations (PDEs) into their loss function. Despite their success in learning the underlying physics, PINN models remain…

Machine Learning · Computer Science 2026-03-04 Alberto Miño Calero , Luis Salamanca , Konstantinos E. Tatsis

The ability to accurately model interatomic interactions in large-scale systems is fundamental to understanding a wide range of physical and chemical phenomena, from drug-protein binding to the behavior of next-generation materials. While…

Materials Science · Physics 2025-05-26 Taskin Mehereen , Sourav Saha , Intesar Jawad Jaigirdar , Chanwook Park

Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory…

Machine Learning · Computer Science 2026-05-13 Seokhun Park , Choeun Kim , Kwanho Lee , Sehyun Park , Insung Kong , Yongdai Kim

One hidden yet important issue for developing neural network potentials (NNPs) is the choice of training algorithm. Here we compare the performance of two popular training algorithms, the adaptive moment estimation algorithm (Adam) and the…

Chemical Physics · Physics 2021-12-15 Yunqi Shao , Florian M. Dietrich , Carl Nettelblad , Chao Zhang

Activation functions are crucial in graph neural networks (GNNs) as they allow defining a nonlinear family of functions to capture the relationship between the input graph data and their representations. This paper proposes activation…

Signal Processing · Electrical Eng. & Systems 2020-09-16 Bianca Iancu , Luana Ruiz , Alejandro Ribeiro , Elvin Isufi

Nonlinear activation functions are pivotal to the success of deep neural nets, and choosing the appropriate activation function can significantly affect their performance. Most networks use fixed activation functions (e.g., ReLU, GELU,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-12 Irit Chelly , Shahaf E. Finder , Shira Ifergane , Oren Freifeld

Biological nervous systems consist of networks of diverse, sophisticated information processors in the form of neurons of different classes. In most artificial neural networks (ANNs), neural computation is abstracted to an activation…

Neural and Evolutionary Computing · Computer Science 2023-06-12 Joachim Winther Pedersen , Sebastian Risi

Molecular dynamics simulations have been used in different scientific fields to investigate a broad range of physical systems. However, the accuracy of calculation is based on the model considered to describe the atomic interactions. In…

Statistical Mechanics · Physics 2023-02-08 Márcio S. Gomes-Filho , Alberto Torres , Alexandre Reily Rocha , Luana S. Pedroza

Complex-valued neural networks (CVNNs) have been shown to be powerful nonlinear approximators when the input data can be properly modeled in the complex domain. One of the major challenges in scaling up CVNNs in practice is the design of…

Neural and Evolutionary Computing · Computer Science 2019-02-07 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

We propose the Neural Functional Alignment Space (NFAS), a brain-referenced representational framework for characterizing artificial neural networks on equal functional grounds. NFAS departs from conventional alignment approaches that rely…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Ruiyu Yan , Hanqi Jiang , Yi Pan , Xiaobo Li , Tianming Liu , Xi Jiang , Lin Zhao

Standard neural network architectures are non-linear only by virtue of a simple element-wise activation function, making them both brittle and excessively large. In this paper, we consider methods for making the feed-forward layer more…

Machine Learning · Computer Science 2018-11-26 Sebastian Flennerhag , Hujun Yin , John Keane , Mark Elliot

Deep neural networks (DNNs) have produced state-of-the-art results in many benchmarks and problem domains. However, the success of DNNs depends on the proper configuration of its architecture and hyperparameters. Such a configuration is…

Neural and Evolutionary Computing · Computer Science 2019-04-10 Jason Liang , Elliot Meyerson , Babak Hodjat , Dan Fink , Karl Mutch , Risto Miikkulainen

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly…

Computation and Language · Computer Science 2024-11-07 Xiuying Wei , Skander Moalla , Razvan Pascanu , Caglar Gulcehre