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Deep learning-based AI models have been extensively applied in genomics, achieving remarkable success across diverse applications. As these models gain prominence, there exists an urgent need for interpretability methods to establish…

Genomics · Quantitative Biology 2025-05-16 Chenyu Wang , Chaoying Zuo , Zihan Su , Yuhang Xing , Lu Li , Maojun Wang , Zeyu Zhang

Protein representation learning is critical in various tasks in biology, such as drug design and protein structure or function prediction, which has primarily benefited from protein language models and graph neural networks. These models…

Biomolecules · Quantitative Biology 2024-02-16 Bozhen Hu , Zelin Zang , Cheng Tan , Stan Z. Li

Learning ensembles by bagging can substantially improve the generalization performance of low-bias, high-variance estimators, including those evolved by Genetic Programming (GP). To be efficient, modern GP algorithms for evolving (bagging)…

Neural and Evolutionary Computing · Computer Science 2021-02-08 Marco Virgolin

The dynamics of neuron populations commonly evolve on low-dimensional manifolds. Thus, we need methods that learn the dynamical processes over neural manifolds to infer interpretable and consistent latent representations. We introduce a…

Machine Learning · Computer Science 2025-01-31 Adam Gosztolai , Robert L. Peach , Alexis Arnaudon , Mauricio Barahona , Pierre Vandergheynst

Feature construction can substantially improve the accuracy of Machine Learning (ML) algorithms. Genetic Programming (GP) has been proven to be effective at this task by evolving non-linear combinations of input features. GP additionally…

Neural and Evolutionary Computing · Computer Science 2020-01-13 Marco Virgolin , Tanja Alderliesten , Peter A. N. Bosman

Interpretation and diagnosis of machine learning models have gained renewed interest in recent years with breakthroughs in new approaches. We present Manifold, a framework that utilizes visual analysis techniques to support interpretation,…

Machine Learning · Computer Science 2019-01-18 Jiawei Zhang , Yang Wang , Piero Molino , Lezhi Li , David S. Ebert

Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian…

Machine Learning · Computer Science 2019-10-15 Ibai Roman , Roberto Santana , Alexander Mendiburu , Jose A. Lozano

A good feature representation is a determinant factor to achieve high performance for many machine learning algorithms in terms of classification. This is especially true for techniques that do not build complex internal representations of…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Noëlie Cherrier , Jean-Philippe Poli , Maxime Defurne , Franck Sabatié

While deep learning has achieved great success in many fields, one common criticism about deep learning is its lack of interpretability. In most cases, the hidden units in a deep neural network do not have a clear semantic meaning or…

Genomics · Quantitative Biology 2019-06-04 Tianle Ma , Aidong Zhang

A novel method, named Curvature-Augmented Manifold Embedding and Learning (CAMEL), is proposed for high dimensional data classification, dimension reduction, and visualization. CAMEL utilizes a topology metric defined on the Riemannian…

Machine Learning · Computer Science 2024-01-17 Nan Xu , Yongming Liu

Data-efficient image classification is a challenging task that aims to solve image classification using small training data. Neural network-based deep learning methods are effective for image classification, but they typically require…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Ying Bi , Bing Xue , Mengjie Zhang

Neuro-encoded expression programming(NEEP) that aims to offer a novel continuous representation of combinatorial encoding for genetic programming methods is proposed in this paper. Genetic programming with linear representation uses…

Neural and Evolutionary Computing · Computer Science 2021-04-12 Aftab Anjum , Fengyang Sun , Lin Wang , Jeff Orchard

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

Despite tremendous progress, machine learning and deep learning still suffer from incomprehensible predictions. Incomprehensibility, however, is not an option for the use of (deep) reinforcement learning in the real world, as unpredictable…

Artificial Intelligence · Computer Science 2024-07-23 Manuel Eberhardinger , Florian Rupp , Johannes Maucher , Setareh Maghsudi

Representation learning is currently a very hot topic in modern machine learning, mostly due to the great success of the deep learning methods. In particular low-dimensional representation which discriminates classes can not only enhance…

Machine Learning · Computer Science 2015-04-13 Wojciech Marian Czarnecki , Rafał Józefowicz , Jacek Tabor

Given the increasing interest in interpretable machine learning, classification trees have again attracted the attention of the scientific community because of their glass-box structure. These models are usually built using greedy…

Machine Learning · Computer Science 2023-05-16 Tommaso Aldinucci

Protein engineering is experiencing a paradigmatic shift through the integration of geometric deep learning into computational design workflows. While traditional strategies, such as rational design and directed evolution, have enabled…

Symbolic indefinite integration in Computer Algebra Systems such as Maple involves selecting the most effective algorithm from multiple available methods. Not all methods will succeed for a given problem, and when several do, the results,…

Symbolic Computation · Computer Science 2025-08-11 Rashid Barket , Matthew England , Jürgen Gerhard

Appointment scheduling is a great challenge in healthcare operations management. Appointment rules (AR) provide medical practitioners with a simple yet effective tool to determine patient appointment times. Genetic programming (GP) can be…

Machine Learning · Computer Science 2025-09-03 Huan Zhang , Yang Wang , Ya-Hui Jia , Yi Mei

Optimization methods play a central role in signal processing, serving as the mathematical foundation for inference, estimation, and control. While classical iterative optimization algorithms provide interpretability and theoretical…

Machine Learning · Computer Science 2026-04-01 Nir Shlezinger , Santiago Segarra , Yi Zhang , Dvir Avrahami , Zohar Davidov , Tirza Routtenberg , Yonina C. Eldar