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Deep learning has achieved remarkable success in jet classification tasks, yet a key challenge remains: understanding what these models learn and how their features relate to known QCD observables. Improving interpretability is essential…

High Energy Physics - Phenomenology · Physics 2026-03-31 Partha Konar , Vishal S. Ngairangbam , Michael Spannowsky , Deepanshu Srivastava

In applications of machine learning to particle physics, a persistent challenge is how to go beyond discrimination to learn about the underlying physics. To this end, a powerful tool would be a framework for unsupervised learning, where the…

High Energy Physics - Phenomenology · Physics 2019-02-20 Anders Andreassen , Ilya Feige , Christopher Frye , Matthew D. Schwartz

A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing…

Materials Science · Physics 2026-05-07 Yifan Li , Arravind Subramanian , Xiaoqing Liu , Qiujie Lyu , Sergey Kozlov , Lei Shen

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are…

Artificial Intelligence · Computer Science 2017-11-22 Oscar Li , Hao Liu , Chaofan Chen , Cynthia Rudin

The task of reconstructing particles from low-level detector response data to predict the set of final state particles in collision events represents a set-to-set prediction task requiring the use of multiple features and their correlations…

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

Learning useful representations of complex data has been the subject of extensive research for many years. With the diffusion of Deep Neural Networks, Variational Autoencoders have gained lots of attention since they provide an explicit…

Machine Learning · Computer Science 2020-09-15 Marco Maggipinto , Matteo Terzi , Gian Antonio Susto

Convolutional Neural Networks (CNNs) do not have a predictable recognition behavior with respect to the input resolution change. This prevents the feasibility of deployment on different input image resolutions for a specific model. To…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Duo Li , Anbang Yao , Qifeng Chen

Embedding symmetries in the architectures of deep neural networks can improve classification and network convergence in the context of jet substructure. These results hint at the existence of symmetries in jet energy depositions, such as…

High Energy Physics - Phenomenology · Physics 2024-10-08 Alexis Romero , Daniel Whiteson

Finding an interpretable non-redundant representation of real-world data is one of the key problems in Machine Learning. Biological neural networks are known to solve this problem quite well in unsupervised manner, yet unsupervised…

Machine Learning · Computer Science 2020-10-13 Denis Kuzminykh , Laida Kushnareva , Timofey Grigoryev , Alexander Zatolokin

We study the problem of directly optimizing arbitrary non-differentiable task evaluation metrics such as misclassification rate and recall. Our method, named MetricOpt, operates in a black-box setting where the computational details of the…

Machine Learning · Computer Science 2021-04-22 Chen Huang , Shuangfei Zhai , Pengsheng Guo , Josh Susskind

Artificial neural networks have proven to be extremely useful models that have allowed for multiple recent breakthroughs in the field of Artificial Intelligence and many others. However, they are typically regarded as black boxes, given how…

Artificial Intelligence · Computer Science 2023-03-07 Manuel de Sousa Ribeiro , João Leite

Many Machine Learning algorithms, such as deep neural networks, have long been criticized for being "black-boxes"-a kind of models unable to provide how it arrive at a decision without further efforts to interpret. This problem has raised…

Machine Learning · Statistics 2019-07-04 Yihuang Kang , I-Ling Cheng , Wenjui Mao , Bowen Kuo , Pei-Ju Lee

The increasing impact of black box models, and particularly of unsupervised ones, comes with an increasing interest in tools to understand and interpret them. In this paper, we consider in particular how to characterise visual groupings…

Computer Vision and Pattern Recognition · Computer Science 2020-10-29 Iro Laina , Ruth C. Fong , Andrea Vedaldi

Building on the notion of a particle physics detector as a camera and the collimated streams of high energy particles, or jets, it measures as an image, we investigate the potential of machine learning techniques based on deep learning…

High Energy Physics - Phenomenology · Physics 2017-01-24 Luke de Oliveira , Michael Kagan , Lester Mackey , Benjamin Nachman , Ariel Schwartzman

The joint optimization of the reconstruction and classification error is a hard non convex problem, especially when a non linear mapping is utilized. In order to overcome this obstacle, a novel optimization strategy is proposed, in which a…

Machine Learning · Computer Science 2022-11-07 Ioannis A. Nellas , Sotiris K. Tasoulis , Vassilis P. Plagianakos , Spiros V. Georgakopoulos

Neural networks have emerged as powerful tools across various applications, yet their decision-making process often remains opaque, leading to them being perceived as "black boxes." This opacity raises concerns about their interpretability…

Machine Learning · Computer Science 2024-11-28 Pirzada Suhail , Hao Tang , Amit Sethi

The rapid evolution of machine learning (ML) has led to the widespread adoption of complex "black box" models, such as deep neural networks and ensemble methods. These models exhibit exceptional predictive performance, making them…

Machine Learning · Computer Science 2025-03-28 Moncef Garouani , Josiane Mothe , Ayah Barhrhouj , Julien Aligon

Explainability techniques for data-driven predictive models based on artificial intelligence and machine learning algorithms allow us to better understand the operation of such systems and help to hold them accountable. New transparency…

Machine Learning · Computer Science 2022-09-09 Kacper Sokol , Alexander Hepburn , Raul Santos-Rodriguez , Peter Flach

Neural networks have emerged as powerful tools across various applications, yet their decision-making process often remains opaque, leading to them being perceived as "black boxes." This opacity raises concerns about their interpretability…

Machine Learning · Computer Science 2024-11-27 Pirzada Suhail , Amit Sethi