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We apply a Transformer architecture, specifically BERT, to learn flexible and high quality molecular representations for drug discovery problems. We study the impact of using different combinations of self-supervised tasks for pre-training,…

Machine Learning · Computer Science 2020-11-30 Benedek Fabian , Thomas Edlich , Héléna Gaspar , Marwin Segler , Joshua Meyers , Marco Fiscato , Mohamed Ahmed

In this work, we describe a method for large-scale 3D cell-tracking through a segmentation selection approach. The proposed method is effective at tracking cells across large microscopy datasets on two fronts: (i) It can solve problems…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Jordão Bragantini , Merlin Lange , Loïc Royer

Unsupervised/self-supervised representation learning in time series is critical since labeled samples are usually scarce in real-world scenarios. Existing approaches mainly leverage the contrastive learning framework, which automatically…

Machine Learning · Computer Science 2023-07-10 Wenrui Zhang , Ling Yang , Shijia Geng , Shenda Hong

Despite the remarkable success of large large-scale neural networks, we still lack unified notation for thinking about and describing their representational spaces. We lack methods to reliably describe how their representations are…

Machine Learning · Computer Science 2025-06-02 Henry Conklin

This paper proposes a novel approach to person re-identification, a fundamental task in distributed multi-camera surveillance systems. Although a variety of powerful algorithms have been presented in the past few years, most of them usually…

Computer Vision and Pattern Recognition · Computer Science 2016-05-04 Shi-Zhe Chen , Chun-Chao Guo , Jian-Huang Lai

Difference features obtained by comparing the images of two periods play an indispensable role in the change detection (CD) task. However, a pair of bi-temporal images can exhibit diverse changes, which may cause various difference…

Computer Vision and Pattern Recognition · Computer Science 2023-09-26 Dan Wang , Licheng Jiao , Jie Chen , Shuyuan Yang , Fang Liu

Deep learning architectures are showing great promise in various computer vision domains including image classification, object detection, event detection and action recognition. In this study, we investigate various aspects of…

Computer Vision and Pattern Recognition · Computer Science 2016-08-08 Hilal Ergun , Mustafa Sert

Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

Biomolecules · Quantitative Biology 2022-06-01 Pedro Hermosilla , Timo Ropinski

Machine learning tasks often require a significant amount of training data for the resultant network to perform suitably for a given problem in any domain. In agriculture, dataset sizes are further limited by phenotypical differences…

Computer Vision and Pattern Recognition · Computer Science 2023-08-02 A. E. Krosney , P. Sotoodeh , C. J. Henry , M. A. Beck , C. P. Bidinosti

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Tabular data remains one of the most prevalent data types across a wide range of real-world applications, yet effective representation learning for this domain poses unique challenges due to its irregular patterns, heterogeneous feature…

Machine Learning · Computer Science 2025-01-08 Weijieying Ren , Tianxiang Zhao , Yuqing Huang , Vasant Honavar

Genetic Programming (GP) is an evolutionary algorithm commonly used for machine learning tasks. In this paper we present a method that allows GP to transform the representation of a large-scale machine learning dataset into a more compact…

Neural and Evolutionary Computing · Computer Science 2018-02-21 Lino Rodriguez-Coayahuitl , Alicia Morales-Reyes , Hugo Jair Escalante

Despite substantial efforts, deep learning has not yet delivered a transformative impact on elucidating regulatory biology, particularly in the realm of predicting gene expression profiles. Here, we argue that genuine "foundation models" of…

Proteins are fundamental biological entities mediating key roles in cellular function and disease. This paper introduces a multi-scale graph construction of a protein -- HoloProt -- connecting surface to structure and sequence. The surface…

Machine Learning · Computer Science 2022-04-06 Vignesh Ram Somnath , Charlotte Bunne , Andreas Krause

With the remarkable success of representation learning for prediction problems, we have witnessed a rapid expansion of the use of machine learning and deep learning for the analysis of digital pathology and biopsy image patches. However,…

Machine Learning · Computer Science 2024-03-06 David Ahmedt-Aristizabal , Mohammad Ali Armin , Simon Denman , Clinton Fookes , Lars Petersson

We explore neural painters, a generative model for brushstrokes learned from a real non-differentiable and non-deterministic painting program. We show that when training an agent to "paint" images using brushstrokes, using a differentiable…

Computer Vision and Pattern Recognition · Computer Science 2019-04-23 Reiichiro Nakano

The task of natural language table retrieval (NLTR) seeks to retrieve semantically relevant tables based on natural language queries. Existing learning systems for this task often treat tables as plain text based on the assumption that…

Information Retrieval · Computer Science 2021-05-06 Fei Wang , Kexuan Sun , Muhao Chen , Jay Pujara , Pedro Szekely

Image classifiers are typically scored on their test set accuracy, but high accuracy can mask a subtle type of model failure. We find that high scoring convolutional neural networks (CNNs) on popular benchmarks exhibit troubling pathologies…

Machine Learning · Computer Science 2021-12-08 Brandon Carter , Siddhartha Jain , Jonas Mueller , David Gifford

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification…

Machine Learning · Computer Science 2025-07-29 Samiul Based Shuvo , Tasnia Binte Mamun , U Rajendra Acharya