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At the heart of neural network force fields (NNFFs) is the architecture of neural networks, where the capacity to model complex interactions is typically enhanced through widening or deepening multilayer perceptrons (MLPs) or by increasing…

机器学习 · 计算机科学 2024-12-20 Enji Li

This work examines the deep disconnect between existing theoretical analyses of gradient-based algorithms and the practice of training deep neural networks. Specifically, we provide numerical evidence that in large-scale neural network…

机器学习 · 计算机科学 2022-06-20 Jingzhao Zhang , Haochuan Li , Suvrit Sra , Ali Jadbabaie

We study the effect of normalization on the layers of deep neural networks of feed-forward type. A given layer $i$ with $N_{i}$ hidden units is allowed to be normalized by $1/N_{i}^{\gamma_{i}}$ with $\gamma_{i}\in[1/2,1]$ and we study the…

机器学习 · 计算机科学 2022-09-05 Jiahui Yu , Konstantinos Spiliopoulos

Regularization is typically understood as improving generalization by altering the landscape of local extrema to which the model eventually converges. Deep neural networks (DNNs), however, challenge this view: We show that removing…

机器学习 · 计算机科学 2019-06-03 Aditya Golatkar , Alessandro Achille , Stefano Soatto

Evaluation of generative models is mostly based on the comparison between the estimated distribution and the ground truth distribution in a certain feature space. To embed samples into informative features, previous works often use…

机器学习 · 计算机科学 2022-12-15 Junghyuk Lee , Jun-Hyuk Kim , Jong-Seok Lee

The role of $L^2$ regularization, in the specific case of deep neural networks rather than more traditional machine learning models, is still not fully elucidated. We hypothesize that this complex interplay is due to the combination of…

机器学习 · 计算机科学 2019-02-11 Pierre H. Richemond , Yike Guo

Modern deep neural networks (DNNs) represent a formidable challenge for theorists: according to the commonly accepted probabilistic framework that describes their performance, these architectures should overfit due to the huge number of…

无序系统与神经网络 · 物理学 2022-03-03 S. Ariosto , R. Pacelli , F. Ginelli , M. Gherardi , P. Rotondo

We consider neural networks (NNs) where the final layer is down-scaled by a fixed hyperparameter $\gamma$. Recent work has identified $\gamma$ as controlling the strength of feature learning. As $\gamma$ increases, network evolution changes…

机器学习 · 计算机科学 2025-03-04 Alexander Atanasov , Alexandru Meterez , James B. Simon , Cengiz Pehlevan

In supervised learning, it is known that overparameterized neural networks with one hidden layer provably and efficiently learn and generalize, when trained using stochastic gradient descent with a sufficiently small learning rate and…

机器学习 · 计算机科学 2022-03-24 Kulin Shah , Amit Deshpande , Navin Goyal

Artificial neural networks are most commonly trained with the back-propagation algorithm, where the gradient for learning is provided by back-propagating the error, layer by layer, from the output layer to the hidden layers. A recently…

机器学习 · 统计学 2016-12-22 Arild Nøkland

A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a…

机器学习 · 计算机科学 2024-04-29 Rustem Takhanov

We construct pairs of distributions $\mu_d, \nu_d$ on $\mathbb{R}^d$ such that the quantity $|\mathbb{E}_{x \sim \mu_d} [F(x)] - \mathbb{E}_{x \sim \nu_d} [F(x)]|$ decreases as $\Omega(1/d^2)$ for some three-layer ReLU network $F$ with…

机器学习 · 计算机科学 2021-12-30 Carles Domingo-Enrich

The exploitation of Deep Neural Networks (DNNs) as descriptors in feature learning challenges enjoys apparent popularity over the past few years. The above tendency focuses on the development of effective loss functions that ensure both…

机器学习 · 计算机科学 2021-04-15 Ioannis Kansizoglou , Loukas Bampis , Antonios Gasteratos

We present the first generative adversarial network (GAN) for natural image matting. Our novel generator network is trained to predict visually appealing alphas with the addition of the adversarial loss from the discriminator that is…

计算机视觉与模式识别 · 计算机科学 2018-07-27 Sebastian Lutz , Konstantinos Amplianitis , Aljosa Smolic

Neural collapse (NC) is a phenomenon that emerges at the terminal phase of the training (TPT) of deep neural networks (DNNs). The features of the data in the same class collapse to their respective sample means and the sample means exhibit…

机器学习 · 统计学 2024-09-09 Wanli Hong , Shuyang Ling

Network initialization is the first and critical step for training neural networks. In this paper, we propose a novel network initialization scheme based on the celebrated Stein's identity. By viewing multi-layer feedforward neural networks…

机器学习 · 计算机科学 2020-06-26 Zebin Yang , Hengtao Zhang , Agus Sudjianto , Aijun Zhang

Question Answering with NLP has progressed through the evolution of advanced model architectures like BERT and BiDAF and earlier word, character, and context-based embeddings. As BERT has leapfrogged the accuracy of models, an element of…

计算与语言 · 计算机科学 2021-09-02 Soumyendu Sarkar

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

While deep learning models and techniques have achieved great empirical success, our understanding of the source of success in many aspects remains very limited. In an attempt to bridge the gap, we investigate the decision boundary of a…

神经与进化计算 · 计算机科学 2019-01-03 Yu Li , Lizhong Ding , Xin Gao

Neural network-based function approximation plays a pivotal role in the advancement of scientific computing and machine learning. Yet, training such models faces several challenges: (i) each target function often requires training a new…

机器学习 · 计算机科学 2025-10-13 Xinwen Hu , Yunqing Huang , Nianyu Yi , Peimeng Yin