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Introduction: Machine learning provides fundamental tools both for scientific research and for the development of technologies with significant impact on society. It provides methods that facilitate the discovery of regularities in data and…

Machine Learning · Computer Science 2019-03-12 Andrea Ceni , Peter Ashwin , Lorenzo Livi

A common problem in bioinformatics is related to identifying gene regulatory regions marked by relatively high frequencies of motifs, or deoxyribonucleic acid sequences that often code for transcription and enhancer proteins. Predicting…

Genomics · Quantitative Biology 2021-01-22 Ethan Jacob Moyer , Anup Das

In this paper we consider the problems of supervised classification and regression in the case where attributes and labels are functions: a data is represented by a set of functions, and the label is also a function. We focus on the use of…

Machine Learning · Computer Science 2016-11-03 Hachem Kadri , Emmanuel Duflos , Philippe Preux , Stéphane Canu , Alain Rakotomamonjy , Julien Audiffren

In medical imaging, particularly in early disease detection and prognosis tasks, discerning the rationale behind an AI model's predictions is crucial for evaluating the reliability of its decisions. Conventional explanation methods face…

Computer Vision and Pattern Recognition · Computer Science 2024-06-28 Yingying Fang , Zihao Jin , Xiaodan Xing , Simon Walsh , Guang Yang

Developing models with high interpretability and even deriving formulas to quantify relationships between biological data is an emerging need. We propose here a framework for ab initio derivation of sequence motifs and linear formula using…

Quantitative Methods · Quantitative Biology 2022-08-23 Chengyu Liu , Wei Wang

The predictive power of neural networks often costs model interpretability. Several techniques have been developed for explaining model outputs in terms of input features; however, it is difficult to translate such interpretations into…

Machine Learning · Computer Science 2017-08-17 Benjamin J. Lengerich , Sandeep Konam , Eric P. Xing , Stephanie Rosenthal , Manuela Veloso

Deep learning models are used in critical applications, in which mistakes can have serious consequences. Therefore, it is crucial to understand how and why models generate predictions. This understanding provides useful information to check…

Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a…

Machine Learning · Computer Science 2020-06-26 Yufan Zhou , Changyou Chen , Jinhui Xu

Function encoders are a recent technique that learn neural network basis functions to form compact, adaptive representations of Hilbert spaces of functions. We show that function encoders provide a principled connection to feature learning…

Machine Learning · Computer Science 2025-09-26 Su Ann Low , Quentin Rommel , Kevin S. Miller , Adam J. Thorpe , Ufuk Topcu

In recent years neural networks have achieved impressive results on many technological and scientific tasks. Yet, the mechanism through which these models automatically select features, or patterns in data, for prediction remains unclear.…

Machine Learning · Computer Science 2023-05-11 Adityanarayanan Radhakrishnan , Daniel Beaglehole , Parthe Pandit , Mikhail Belkin

Learning the kernel functions used in kernel methods has been a vastly explored area in machine learning. It is now widely accepted that to obtain 'good' performance, learning a kernel function is the key challenge. In this work we focus on…

Machine Learning · Computer Science 2016-01-08 Chetan Tonde , Ahmed Elgammal

Interpretability of deep learning is widely used to evaluate the reliability of medical imaging models and reduce the risks of inaccurate patient recommendations. For models exceeding human performance, e.g. predicting RNA structure from…

Quantitative Methods · Quantitative Biology 2022-08-31 Mara Graziani , Niccolò Marini , Nicolas Deutschmann , Nikita Janakarajan , Henning Müller , María Rodríguez Martínez

Machine learning is capable of discriminating phases of matter, and finding associated phase transitions, directly from large data sets of raw state configurations. In the context of condensed matter physics, most progress in the field of…

Statistical Mechanics · Physics 2017-12-06 Pedro Ponte , Roger G. Melko

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such…

Machine Learning · Statistics 2023-06-02 Francesco Cagnetta , Alessandro Favero , Matthieu Wyart

The ability to interpret machine learning model decisions is critical in such domains as healthcare, where trust in model predictions is as important as their accuracy. Inspired by the development of prototype parts-based deep neural…

Machine Learning · Computer Science 2026-03-06 Jacek Karolczak , Jerzy Stefanowski

We present Neural Kernel Fields: a novel method for reconstructing implicit 3D shapes based on a learned kernel ridge regression. Our technique achieves state-of-the-art results when reconstructing 3D objects and large scenes from sparse…

Computer Vision and Pattern Recognition · Computer Science 2021-11-29 Francis Williams , Zan Gojcic , Sameh Khamis , Denis Zorin , Joan Bruna , Sanja Fidler , Or Litany

Neural networks have greatly boosted performance in computer vision by learning powerful representations of input data. The drawback of end-to-end training for maximal overall performance are black-box models whose hidden representations…

Computer Vision and Pattern Recognition · Computer Science 2020-04-29 Patrick Esser , Robin Rombach , Björn Ommer

Deep kernel learning aims at designing nonlinear combinations of multiple standard elementary kernels by training deep networks. This scheme has proven to be effective, but intractable when handling large-scale datasets especially when the…

Computer Vision and Pattern Recognition · Computer Science 2018-05-01 Mingyuan Jiu , Hichem Sahbi

We present a novel kernel-based machine learning algorithm for identifying the low-dimensional geometry of the effective dynamics of high-dimensional multiscale stochastic systems. Recently, the authors developed a mathematical framework…

Dynamical Systems · Mathematics 2020-02-04 Andreas Bittracher , Stefan Klus , Boumediene Hamzi , Péter Koltai , Christof Schütte

We present a novel machine learning approach to understanding conformation dynamics of biomolecules. The approach combines kernel-based techniques that are popular in the machine learning community with transfer operator theory for…

Computational Physics · Physics 2019-01-24 Stefan Klus , Andreas Bittracher , Ingmar Schuster , Christof Schütte