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De novo molecule generation can suffer from data inefficiency; requiring large amounts of training data or many sampled data points to conduct objective optimization. The latter is a particular disadvantage when combining deep generative…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 Morgan Thomas , Noel M. O'Boyle , Andreas Bender , Chris De Graaf

Designing functional protein sequences that satisfy multiple desired properties is a core research focus of protein engineering. Prior methods struggle with inability or inefficiency when dealing with numerous, often conflicting,…

Biomolecules · Quantitative Biology 2026-05-08 Zitai Kong , Yifan Dong , Yixuan Wu , Zhaokang Liang , Jian Wu , Hongxia Xu

Conventional research on large language models (LLMs) has primarily focused on refining output distributions, while paying less attention to the decoding process that transforms these distributions into final responses. Recent advances,…

Computation and Language · Computer Science 2025-10-28 Chenheng Zhang , Tianqi Du , Jizhe Zhang , Mingqing Xiao , Yifei Wang , Yisen Wang , Zhouchen Lin

In this paper, we introduce Rank-R1, a novel LLM-based reranker that performs reasoning over both the user query and candidate documents before performing the ranking task. Existing document reranking methods based on large language models…

Information Retrieval · Computer Science 2025-03-11 Shengyao Zhuang , Xueguang Ma , Bevan Koopman , Jimmy Lin , Guido Zuccon

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Deep Learning based stereo matching methods have shown great successes and achieved top scores across different benchmarks. However, like most data-driven methods, existing deep stereo matching networks suffer from some well-known drawbacks…

Computer Vision and Pattern Recognition · Computer Science 2018-08-14 Yiran Zhong , Hongdong Li , Yuchao Dai

Efficient tracking algorithms are a crucial part of particle tracking detectors. While a lot of work has been done in designing a plethora of algorithms, these usually require tedious tuning for each use case. (Weakly) supervised Machine…

Computer Vision and Pattern Recognition · Computer Science 2020-04-22 Mykhailo Vladymyrov , Akitaka Ariga

Matching job descriptions (JDs) with suitable talent requires models capable of understanding not only textual similarities between JDs and candidate resumes but also contextual factors such as geographical location and academic seniority.…

Computation and Language · Computer Science 2025-03-17 Yafei Zhang , Murray Wang , Yu Wang , Xiaohui Wang

A device capable of performing real time classification of proteins in a clinical setting would allow for inexpensive and rapid disease diagnosis. One such candidate for this technology are nanopore devices. These devices work by measuring…

Machine Learning · Computer Science 2025-09-18 Samuel Tovey , Julian Hoßbach , Sandro Kuppel , Tobias Ensslen , Jan C. Behrends , Christian Holm

Understanding the structural and functional characteristics of proteins are crucial for developing preventative and curative strategies that impact fields from drug discovery to policy development. An important and popular technique for…

Machine Learning · Computer Science 2024-10-17 Sarwan Ali , Taslim Murad , Prakash Chourasia , Haris Mansoor , Imdad Ullah Khan , Pin-Yu Chen , Murray Patterson

Recent progress on large language models (LLMs) has spurred interest in scaling up recommendation systems, yet two practical obstacles remain. First, training and serving cost on industrial Recommenders must respect strict latency bounds…

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

In the search for highly efficient decoders for short LDPC codes approaching maximum likelihood performance, a relayed decoding strategy, specifically activating the ordered statistics decoding process upon failure of a neural min-sum…

Information Theory · Computer Science 2024-03-26 Guangwen Li , Xiao Yu

As high-throughput biological sequencing becomes faster and cheaper, the need to extract useful information from sequencing becomes ever more paramount, often limited by low-throughput experimental characterizations. For proteins, accurate…

Quantitative Methods · Quantitative Biology 2017-01-31 Xueliang Liu

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

Foundation models and their checkpoints have significantly advanced deep learning, boosting performance across various applications. However, fine-tuned models often struggle outside their specific domains and exhibit considerable…

Spiking Neural Networks (SNNs) have become an essential paradigm in neuroscience and artificial intelligence, providing brain-inspired computation. Recent advances in literature have studied the network representations of deep neural…

Neural and Evolutionary Computing · Computer Science 2024-03-20 Biswadeep Chakraborty , Saibal Mukhopadhyay

Bridging the exponentially growing gap between the numbers of unlabeled and labeled protein sequences, several studies adopted semi-supervised learning for protein sequence modeling. In these studies, models were pre-trained with a…

Biomolecules · Quantitative Biology 2021-09-20 Seonwoo Min , Seunghyun Park , Siwon Kim , Hyun-Soo Choi , Byunghan Lee , Sungroh Yoon

Image denoising is the first step in many biomedical image analysis pipelines and Deep Learning (DL) based methods are currently best performing. A new category of DL methods such as Noise2Void or Noise2Self can be used fully unsupervised,…

Image and Video Processing · Electrical Eng. & Systems 2020-03-20 Mangal Prakash , Manan Lalit , Pavel Tomancak , Alexander Krull , Florian Jug

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
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