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Self-supervised learning has become a popular approach in recent years for its ability to learn meaningful representations without the need for data annotation. This paper proposes a novel image augmentation technique, overlaying images,…

Computer Vision and Pattern Recognition · Computer Science 2023-01-25 Yinheng Li , Han Ding , Shaofei Wang

Artificial intelligence (AI) continues to transform data analysis in many domains. Progress in each domain is driven by a growing body of annotated data, increased computational resources, and technological innovations. In medicine, the…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Ahmad Chaddad , Qizong lu , Jiali Li , Yousef Katib , Reem Kateb , Camel Tanougast , Ahmed Bouridane , Ahmed Abdulkadir

Interpretability is often pointed out as a key requirement for trustworthy machine learning. However, learning and releasing models that are inherently interpretable leaks information regarding the underlying training data. As such…

Artificial Intelligence · Computer Science 2024-04-04 Julien Ferry , Ulrich Aïvodji , Sébastien Gambs , Marie-José Huguet , Mohamed Siala

Deep learning models have become fundamental tools in drug design. In particular, large language models trained on biochemical sequences learn feature vectors that guide drug discovery through virtual screening. However, such models do not…

Biomolecules · Quantitative Biology 2025-03-28 Joseph D. Clark , Tanner J. Dean , Diwakar Shukla

This paper explores interpretability techniques for two of the most successful learning algorithms in medical decision-making literature: deep neural networks and random forests. We applied these algorithms in a real-world medical dataset…

Machine Learning · Computer Science 2020-02-24 Catarina Moreira , Renuka Sindhgatta , Chun Ouyang , Peter Bruza , Andreas Wichert

Many real-world systems can be described by mathematical models that are human-comprehensible, easy to analyze and help explain the system's behavior. Symbolic regression is a method that can automatically generate such models from data.…

Neural and Evolutionary Computing · Computer Science 2023-06-28 Jiří Kubalík , Erik Derner , Robert Babuška

As machine learning algorithms getting adopted in an ever-increasing number of applications, interpretation has emerged as a crucial desideratum. In this paper, we propose a mathematical definition for the human-interpretable model. In…

Machine Learning · Computer Science 2021-06-01 Weishen Pan , Changshui Zhang

Geometric trees are characterized by their tree-structured layout and spatially constrained nodes and edges, which significantly impacts their topological attributes. This inherent hierarchical structure plays a crucial role in domains such…

Machine Learning · Computer Science 2024-08-19 Zheng Zhang , Allen Zhang , Ruth Nelson , Giorgio Ascoli , Liang Zhao

Three-dimensional (3D) medical images, such as Computed Tomography (CT) and Magnetic Resonance Imaging (MRI), are essential for clinical applications. However, the need for diverse and comprehensive representations is particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-05-26 Siwen Wang , Churan Wang , Fei Gao , Lixian Su , Fandong Zhang , Yizhou Wang , Yizhou Yu

Representation learning is the foundation for the recent success of neural network models. However, the distributed representations generated by neural networks are far from ideal. Due to their highly entangled nature, they are di cult to…

Machine Learning · Computer Science 2016-02-09 William Whitney

In this paper we propose a novel end-to-end learnable network that performs joint perception, prediction and motion planning for self-driving vehicles and produces interpretable intermediate representations. Unlike existing neural motion…

Robotics · Computer Science 2020-08-14 Abbas Sadat , Sergio Casas , Mengye Ren , Xinyu Wu , Pranaab Dhawan , Raquel Urtasun

Interpretable classification models are built with the purpose of providing a comprehensible description of the decision logic to an external oversight agent. When considered in isolation, a decision tree, a set of classification rules, or…

Machine Learning · Computer Science 2019-03-18 Riccardo Guidotti , Salvatore Ruggieri

Decision analysis deals with modeling and enhancing decision processes. A principal challenge in improving behavior is in obtaining a transparent description of existing behavior in the first place. In this paper, we develop an expressive,…

Machine Learning · Statistics 2023-10-31 Daniel Jarrett , Alihan Hüyük , Mihaela van der Schaar

In this Master's thesis, the graph properties of a multi-level drug-protein network are studied, as well as how the network's shape has informed discoveries over the years, identifying primarily crawling discoveries and a smaller number of…

Molecular Networks · Quantitative Biology 2026-03-02 Felipe Bivort Haiek

The success of neural networks builds to a large extent on their ability to create internal knowledge representations from real-world high-dimensional data, such as images, sound, or text. Approaches to extract and present these…

Artificial Intelligence · Computer Science 2023-01-03 Lars Holmberg , Paul Davidsson , Per Linde

Building models of human decision-making from observed behaviour is critical to better understand, diagnose and support real-world policies such as clinical care. As established policy learning approaches remain focused on imitation…

Machine Learning · Computer Science 2022-10-03 Alizée Pace , Alex J. Chan , Mihaela van der Schaar

Neural network architectures have been extensively employed in the fair representation learning setting, where the objective is to learn a new representation for a given vector which is independent of sensitive information. Various…

Machine Learning · Computer Science 2022-02-08 Mattia Cerrato , Alesia Vallenas Coronel , Marius Köppel , Alexander Segner , Roberto Esposito , Stefan Kramer

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

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

To build intelligent machine learning systems, there are two broad approaches. One approach is to build inherently interpretable models, as endeavored by the growing field of causal representation learning. The other approach is to build…

Machine Learning · Computer Science 2024-12-10 Goutham Rajendran , Simon Buchholz , Bryon Aragam , Bernhard Schölkopf , Pradeep Ravikumar