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Kernel methods map data into high-dimensional spaces, enabling linear algorithms to learn nonlinear functions without explicitly storing the feature vectors. Quantum kernel methods promise efficient learning by encoding feature maps into…

Quantum Physics · Physics 2025-04-17 Vivek Sabarad , Vishal Varma , T. S. Mahesh

Colored Petri Nets (CPNs) are an established formalism for modeling processes where tokens carry data. Although tools like CPN Tools and CPN IDE excel at CPN-based simulation, they are often separate from modern data science ecosystems.…

Databases · Computer Science 2025-06-17 Alessandro Berti , Wil M. P. van der Aalst

Pattern-matching programming is an example of a rule-based programming style developed in functional languages. This programming style is intensively used in dialects of ML but is restricted to algebraic data-types. This restriction limits…

Programming Languages · Computer Science 2009-12-25 Julien Cohen

We propose a deep learning approach for discovering kernels tailored to identifying clusters over sample data. Our neural network produces sample embeddings that are motivated by--and are at least as expressive as--spectral clustering. Our…

Machine Learning · Computer Science 2020-01-03 Chieh Wu , Zulqarnain Khan , Yale Chang , Stratis Ioannidis , Jennifer Dy

As data are generated more and more from multiple disparate sources, multiview data sets, where each sample has features in distinct views, have ballooned in recent years. However, no comprehensive package exists that enables…

We investigate a series of learning kernel problems with polynomial combinations of base kernels, which will help us solve regression and classification problems. We also perform some numerical experiments of polynomial kernels with…

Machine Learning · Computer Science 2017-12-27 Chen Li , Luca Venturi , Ruitu Xu

Kernel $k$-means clustering is a powerful tool for unsupervised learning of non-linearly separable data. Since the earliest attempts, researchers have noted that such algorithms often become trapped by local minima arising from…

Machine Learning · Statistics 2020-11-13 Debolina Paul , Saptarshi Chakraborty , Swagatam Das , Jason Xu

Pattern matching is a powerful tool which is part of many functional programming languages as well as computer algebra systems such as Mathematica. Among the existing systems, Mathematica offers the most expressive pattern matching.…

Symbolic Computation · Computer Science 2017-05-03 Manuel Krebber

The selection, development, or comparison of machine learning methods in data mining can be a difficult task based on the target problem and goals of a particular study. Numerous publicly available real-world and simulated benchmark…

Machine Learning · Computer Science 2017-03-03 Randal S. Olson , William La Cava , Patryk Orzechowski , Ryan J. Urbanowicz , Jason H. Moore

Kernelization is the standard framework to analyze preprocessing routines mathematically. Here, in terms of efficiency, we demand the preprocessing routine to run in time polynomial in the input size. However, today, various NP-complete…

Computational Complexity · Computer Science 2025-08-15 Hendrik Molter , Meirav Zehavi

Lithography is fundamental to integrated circuit fabrication, necessitating large computation overhead. The advancement of machine learning (ML)-based lithography models alleviates the trade-offs between manufacturing process expense and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Guojin Chen , Zehua Pei , Haoyu Yang , Yuzhe Ma , Bei Yu , Martin D. F. Wong

River is a machine learning library for dynamic data streams and continual learning. It provides multiple state-of-the-art learning methods, data generators/transformers, performance metrics and evaluators for different stream learning…

Deep metric learning algorithms have a wide variety of applications, but implementing these algorithms can be tedious and time consuming. PyTorch Metric Learning is an open source library that aims to remove this barrier for both…

Computer Vision and Pattern Recognition · Computer Science 2020-08-24 Kevin Musgrave , Serge Belongie , Ser-Nam Lim

Atomic neural networks (ANNs) constitute a class of machine learning methods for predicting potential energy surfaces and physico-chemical properties of molecules and materials. Despite many successes, developing interpretable ANN…

Computational Physics · Physics 2020-01-17 Yunqi Shao , Matti Hellström , Pavlin D. Mitev , Lisanne Knijff , Chao Zhang

Dealing with land cover classification of the new image sources has also turned to be a complex problem requiring large amount of memory and processing time. In order to cope with these problems, statistical learning has greatly helped in…

As quantum computers become increasingly practical, so does the prospect of using quantum computation to improve upon traditional algorithms. Kernel methods in machine learning is one area where such improvements could be realized in the…

Quantum Physics · Physics 2023-05-30 Ara Ghukasyan , Jack S. Baker , Oktay Goktas , Juan Carrasquilla , Santosh Kumar Radha

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

Machine Learning · Computer Science 2025-11-26 Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

As machine learning is applied more widely, data scientists often struggle to find or create end-to-end machine learning systems for specific tasks. The proliferation of libraries and frameworks and the complexity of the tasks have led to…

Software Engineering · Computer Science 2020-11-23 Micah J. Smith , Carles Sala , James Max Kanter , Kalyan Veeramachaneni

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

Kernel-based K-means clustering has gained popularity due to its simplicity and the power of its implicit non-linear representation of the data. A dominant concern is the memory requirement since memory scales as the square of the number of…

Machine Learning · Statistics 2016-12-05 Farhad Pourkamali-Anaraki , Stephen Becker