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Enzyme mining is rapidly evolving as a data-driven strategy to identify biocatalysts with tailored functions from the vast landscape of uncharacterized proteins. The integration of machine learning into these workflows enables…

Biomolecules · Quantitative Biology 2025-07-11 Yanzi Zhang , Felix Moorhoff , Sizhe Qiu , Wenjuan Dong , David Medina-Ortiz , Jing Zhao , Mehdi D. Davari

In this paper, we address the problem of high performance and computationally efficient content-based video retrieval in large-scale datasets. Current methods typically propose either: (i) fine-grained approaches employing spatio-temporal…

Computer Vision and Pattern Recognition · Computer Science 2022-08-08 Giorgos Kordopatis-Zilos , Christos Tzelepis , Symeon Papadopoulos , Ioannis Kompatsiaris , Ioannis Patras

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Zooplankton images, like many other real world data types, have intrinsic properties that make the design of effective classification systems difficult. For instance, the number of classes encountered in practical settings is potentially…

Computer Vision and Pattern Recognition · Computer Science 2019-09-26 Ketil Malde , Hyeongji Kim

Knowledge distillation is an effective technique that transfers knowledge from a large teacher model to a shallow student. However, just like massive classification, large scale knowledge distillation also imposes heavy computational costs…

Machine Learning · Computer Science 2018-12-04 Minghan Li , Tanli Zuo , Ruicheng Li , Martha White , Weishi Zheng

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Deep convolutional neural networks have been widely used in numerous applications, but their demanding storage and computational resource requirements prevent their applications on mobile devices. Knowledge distillation aims to optimize a…

Machine Learning · Computer Science 2018-12-18 Hanting Chen , Yunhe Wang , Chang Xu , Chao Xu , Dacheng Tao

Diffusion- and flow-based generative models have recently demonstrated strong performance in protein backbone generation tasks, offering unprecedented capabilities for de novo protein design. However, while achieving notable performance in…

Machine Learning · Computer Science 2025-10-29 Liyang Xie , Haoran Zhang , Zhendong Wang , Wesley Tansey , Mingyuan Zhou

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

Quantitative Methods · Quantitative Biology 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

State-of-the-art methods for protein-protein interaction (PPI) extraction are primarily feature-based or kernel-based by leveraging lexical and syntactic information. But how to incorporate such knowledge in the recent deep learning methods…

Computation and Language · Computer Science 2017-06-08 Yifan Peng , Zhiyong Lu

Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

Masked autoencoders have become popular training paradigms for self-supervised visual representation learning. These models randomly mask a portion of the input and reconstruct the masked portion according to the target representations. In…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Xingbin Liu , Jinghao Zhou , Tao Kong , Xianming Lin , Rongrong Ji

Knowledge distillation (KD) is one of the most useful techniques for light-weight neural networks. Although neural networks have a clear purpose of embedding datasets into the low-dimensional space, the existing knowledge was quite far from…

Computer Vision and Pattern Recognition · Computer Science 2021-04-29 Seunghyun Lee , Byung Cheol Song

Knowledge Distillation is becoming one of the primary trends among neural network compression algorithms to improve the generalization performance of a smaller student model with guidance from a larger teacher model. This momentous rise in…

Computer Vision and Pattern Recognition · Computer Science 2021-10-26 Sumanth Chennupati , Mohammad Mahdi Kamani , Zhongwei Cheng , Lin Chen

Dataset distillation provides an effective approach to reduce memory and computational costs by optimizing a compact dataset that achieves performance comparable to the full original. However, for large-scale datasets and complex deep…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Xinhao Zhong , Shuoyang Sun , Xulin Gu , Zhaoyang Xu , Yaowei Wang , Min Zhang , Bin Chen

Mass spectrometry provides a high-throughput way to identify proteins in biological samples. In a typical experiment, proteins in a sample are first broken into their constituent peptides. The resulting mixture of peptides is then subjected…

Applications · Statistics 2010-11-10 Qunhua Li , Michael J. MacCoss , Matthew Stephens

Recent advances in multimodal learning have achieved remarkable success across diverse vision-language tasks. However, such progress heavily relies on large-scale image-text datasets, making training costly and inefficient. Prior efforts in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Junhyeok Choi , Sangwoo Mo , Minwoo Chae

Pre-trained language models (PLMs) have emerged as powerful tools for code understanding. However, deploying these PLMs in large-scale applications faces practical challenges due to their computational intensity and inference latency.…

Software Engineering · Computer Science 2025-08-22 Ruiqi Wang , Zezhou Yang , Cuiyun Gao , Xin Xia , Qing Liao

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

The effectiveness of machine learning algorithms arises from being able to extract useful features from large amounts of data. As model and dataset sizes increase, dataset distillation methods that compress large datasets into significantly…

Machine Learning · Computer Science 2022-01-19 Timothy Nguyen , Roman Novak , Lechao Xiao , Jaehoon Lee