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Understanding the spectral properties of kernels offers a principled perspective on generalization and representation quality. While deep models achieve state-of-the-art accuracy in molecular property prediction, kernel methods remain…

Machine Learning · Computer Science 2025-10-17 Asma Jamali , Tin Sum Cheng , Rodrigo A. Vargas-Hernández

Yang (2020a) recently showed that the Neural Tangent Kernel (NTK) at initialization has an infinite-width limit for a large class of architectures including modern staples such as ResNet and Transformers. However, their analysis does not…

Machine Learning · Computer Science 2021-05-11 Greg Yang , Etai Littwin

Deep neural networks have become essential for numerous applications due to their strong empirical performance such as vision, RL, and classification. Unfortunately, these networks are quite difficult to interpret, and this limits their…

Machine Learning · Computer Science 2021-10-12 Sina Alemohammad , Hossein Babaei , CJ Barberan , Naiming Liu , Lorenzo Luzi , Blake Mason , Richard G. Baraniuk

A major factor in the success of deep neural networks is the use of sophisticated architectures rather than the classical multilayer perceptron (MLP). Residual networks (ResNets) stand out among these powerful modern architectures. Previous…

Machine Learning · Computer Science 2021-05-25 Tom Tirer , Joan Bruna , Raja Giryes

Graph convolutional networks are a popular class of deep neural network algorithms which have shown success in a number of relational learning tasks. Despite their success, graph convolutional networks exhibit a number of peculiar features,…

Machine Learning · Computer Science 2022-08-22 Thomas Gebhart

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and…

Machine Learning · Computer Science 2023-06-02 Christian H. X. Ali Mehmeti-Göpel , Jan Disselhoff

Spectral analysis is a powerful tool, decomposing any function into simpler parts. In machine learning, Mercer's theorem generalizes this idea, providing for any kernel and input distribution a natural basis of functions of increasing…

Machine Learning · Computer Science 2022-01-11 Yatin Dandi , Arthur Jacot

Physics-informed neural networks (PINNs) are demonstrating remarkable promise in integrating physical models with gappy and noisy observational data, but they still struggle in cases where the target functions to be approximated exhibit…

Machine Learning · Computer Science 2021-06-16 Sifan Wang , Hanwen Wang , Paris Perdikaris

Deep neural networks (NN) have achieved great success in many applications. However, why do deep neural networks obtain good generalization at an over-parameterization regime is still unclear. To better understand deep NN, we establish the…

Machine Learning · Statistics 2021-12-02 Yueming Lyu , Ivor Tsang

Standard kernels such as Mat\'ern or RBF kernels only encode simple monotonic dependencies within the input space. Spectral mixture kernels have been proposed as general-purpose, flexible kernels for learning and discovering more…

Machine Learning · Computer Science 2018-11-28 Sami Remes , Markus Heinonen , Samuel Kaski

Neural networks are known to be a class of highly expressive functions able to fit even random input-output mappings with $100\%$ accuracy. In this work, we present properties of neural networks that complement this aspect of expressivity.…

Given the complexity of genetic risk prediction, there is a critical need for the development of novel methodologies that can effectively capture intricate genotype--phenotype relationships (e.g., nonlinear) while remaining statistically…

Applications · Statistics 2025-10-03 Heng Ge , Qing Lu

Neural networks have achieved remarkable empirical performance, while the current theoretical analysis is not adequate for understanding their success, e.g., the Neural Tangent Kernel approach fails to capture their key feature learning…

Machine Learning · Computer Science 2023-10-20 Zhenmei Shi , Junyi Wei , Yingyu Liang

Graph neural networks (GNNs) have attracted considerable attention from the research community. It is well established that GNNs are usually roughly divided into spatial and spectral methods. Despite that spectral GNNs play an important…

Machine Learning · Computer Science 2023-02-14 Deyu Bo , Xiao Wang , Yang Liu , Yuan Fang , Yawen Li , Chuan Shi

A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based…

Quantum Physics · Physics 2023-03-28 Xuchen You , Shouvanik Chakrabarti , Boyang Chen , Xiaodi Wu

Deep neural networks are renowned for their ability to generalise well across diverse tasks, even when heavily overparameterized. Existing works offer only partial explanations (for example, the NTK-based task-model alignment explanation…

Machine Learning · Computer Science 2025-06-02 Chris Mingard , Lukas Seier , Niclas Göring , Andrei-Vlad Badelita , Charles London , Ard Louis

This article investigates Kak neural networks, which can be instantaneously trained, for complex and quaternion inputs. The performance of the basic algorithm has been analyzed and shown how it provides a plausible model of human perception…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Adityan Rishiyur

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

Machine Learning · Statistics 2020-06-30 Dexiong Chen , Laurent Jacob , Julien Mairal

In multi-objective optimization, multiple loss terms are weighted and added together to form a single objective. These weights are chosen to properly balance the competing losses according to some meta-goal. For example, in physics-informed…

Numerical Analysis · Mathematics 2025-11-20 Max Hirsch , Federico Pichi

Hybrid optical neural networks (HONNs) offload some electronic computation to optical preprocessors to achieve low-power and fast training and inference phases in machine learning tasks. Our contribution to the development of HONNs is a…

Optics · Physics 2025-10-07 Altai Perry , Luat Vuong