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We describe N-body networks, a neural network architecture for learning the behavior and properties of complex many body physical systems. Our specific application is to learn atomic potential energy surfaces for use in molecular dynamics…

机器学习 · 计算机科学 2018-03-06 Risi Kondor

Spatial self-attention layers, in the form of Non-Local blocks, introduce long-range dependencies in Convolutional Neural Networks by computing pairwise similarities among all possible positions. Such pairwise functions underpin the…

计算机视觉与模式识别 · 计算机科学 2021-07-08 Francesca Babiloni , Ioannis Marras , Filippos Kokkinos , Jiankang Deng , Grigorios Chrysos , Stefanos Zafeiriou

Large-scale foundation models have demonstrated remarkable versatility across a wide range of downstream tasks. However, fully fine-tuning these models incurs prohibitive computational costs, motivating the development of…

机器学习 · 计算机科学 2025-05-30 Chongjie Si , Xuankun Yang , Muqing Liu , Yadao Wang , Xiaokang Yang , Wenbo Su , Bo Zheng , Wei Shen

We study the expressivity of rational neural networks (RationalNets) through the lens of algebraic geometry. We consider rational functions that arise from a given RationalNet to be tuples of fractions of homogeneous polynomials of fixed…

代数几何 · 数学 2025-09-16 Alexandros Grosdos , Elina Robeva , Maksym Zubkov

Neural networks are popular and useful in many fields, but they have the problem of giving high confidence responses for examples that are away from the training data. This makes the neural networks very confident in their prediction while…

机器学习 · 计算机科学 2024-10-15 Adrian Barbu , Hongyu Mou

Automated deep neural network architecture design has received a significant amount of recent attention. However, this attention has not been equally shared by one of the fundamental building blocks of a deep neural network, the neurons. In…

神经与进化计算 · 计算机科学 2018-11-13 Andrew Hryniowski , Alexander Wong

Although deep learning has shown its powerful performance in many applications, the mathematical principles behind neural networks are still mysterious. In this paper, we consider the problem of learning a one-hidden-layer neural network…

机器学习 · 计算机科学 2019-07-17 Shuhao Xia , Yuanming Shi

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

计算物理 · 物理学 2024-08-14 Yang Li , Zechen Tang , Zezhou Chen , Minghui Sun , Boheng Zhao , He Li , Honggeng Tao , Zilong Yuan , Wenhui Duan , Yong Xu

We present a deep learning approach to estimation of the bead parameters in welding tasks. Our model is based on a four-hidden-layer neural network architecture. More specifically, the first three hidden layers of this architecture utilize…

机器学习 · 计算机科学 2015-07-09 Soheil Keshmiri , Xin Zheng , Chee Meng Chew , Chee Khiang Pang

Error backpropagation is a highly effective mechanism for learning high-quality hierarchical features in deep networks. Updating the features or weights in one layer, however, requires waiting for the propagation of error signals from…

神经与进化计算 · 计算机科学 2017-11-21 Hesham Mostafa , Vishwajith Ramesh , Gert Cauwenberghs

Enhancements in the invariant mass distribution or scattering cross-section are usually associated with resonances. However, the nature of exotic signals found near hadron-hadron thresholds remain a puzzle today due to the presence of…

高能物理 - 唯象学 · 物理学 2024-11-28 Darwin Alexander O. Co , Vince Angelo A. Chavez , Denny Lane B. Sombillo

We present MorphNet, an approach to automate the design of neural network structures. MorphNet iteratively shrinks and expands a network, shrinking via a resource-weighted sparsifying regularizer on activations and expanding via a uniform…

机器学习 · 计算机科学 2018-04-19 Ariel Gordon , Elad Eban , Ofir Nachum , Bo Chen , Hao Wu , Tien-Ju Yang , Edward Choi

Deep neural networks tend to underestimate uncertainty and produce overly confident predictions. Recently proposed solutions, such as MC Dropout and SDENet, require complex training and/or auxiliary out-of-distribution data. We propose a…

机器学习 · 计算机科学 2021-10-14 Akib Mashrur , Wei Luo , Nayyar A. Zaidi , Antonio Robles-Kelly

Geometric Sensitive Hashing functions, a family of Local Sensitive Hashing functions, are neural network models that learn class-specific manifold geometry in supervised learning. However, given a set of supervised learning tasks,…

神经与进化计算 · 计算机科学 2024-01-08 Jinyung Hong , Theodore P. Pavlic

Continuous neural representations have recently emerged as a powerful and flexible alternative to classical discretized representations of signals. However, training them to capture fine details in multi-scale signals is difficult and…

机器学习 · 计算机科学 2022-10-06 Sifan Wang , Hanwen Wang , Jacob H. Seidman , Paris Perdikaris

The article is devoted to the study of neural networks with one hidden layer and a modified activation function for solving physical problems. A rectified sigmoid activation function has been proposed to solve physical problems described by…

数值分析 · 数学 2024-12-31 Vasiliy A. Es'kin , Alexey O. Malkhanov , Mikhail E. Smorkalov

Binary Neural Networks (BNNs) significantly reduce computational complexity and memory usage in machine and deep learning by representing weights and activations with just one bit. However, most existing training algorithms for BNNs rely on…

机器学习 · 计算机科学 2025-12-08 Luca Colombo , Fabrizio Pittorino , Manuel Roveri

Neural networks are a convenient way to automatically fit functions that are too complex to be described by hand. The downside of this approach is that it leads to build a black-box without understanding what happened inside. Finding the…

机器学习 · 计算机科学 2022-08-29 Théo Nancy , Vassili Maillet , Johann Barbier

The performance of deep network learning strongly depends on the choice of the non-linear activation function associated with each neuron. However, deciding on the best activation is non-trivial, and the choice depends on the architecture,…

机器学习 · 计算机科学 2020-02-05 Alejandro Molina , Patrick Schramowski , Kristian Kersting

Recently, deep learning has been widely applied in functional data analysis (FDA) with notable empirical success. However, the infinite dimensionality of functional data necessitates an effective dimension reduction approach for functional…

机器学习 · 统计学 2025-05-13 Zhongjie Shi , Jun Fan , Linhao Song , Ding-Xuan Zhou , Johan A. K. Suykens