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Related papers: Structure-Aware Antibody Design with Affinity-Opti…

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Computational antibody design holds immense promise for therapeutic discovery, yet existing generative models are fundamentally limited by two core challenges: (i) a lack of dynamical consistency, which yields physically implausible…

Machine Learning · Computer Science 2025-11-06 Jiameng Chen , Yida Xiong , Kun Li , Hongzhi Zhang , Xiantao Cai , Wenbin Hu , Jia Wu

Locally resonant elastic metamaterials (LREM) can be designed, by optimizing the geometry of the constituent self-repeating unit cells, to potentially damp out vibration in selected frequency ranges, thus yielding desired bandgaps. However,…

Computational Engineering, Finance, and Science · Computer Science 2021-07-27 Manaswin Oddiraju , Amir Behjat , Mostafa Nouh , Souma Chowdhury

The escalating integration of machine learning in high-stakes fields such as healthcare raises substantial concerns about model fairness. We propose an interpretable framework - Fairness-Aware Interpretable Modeling (FAIM), to improve model…

Machine Learning · Computer Science 2024-03-11 Mingxuan Liu , Yilin Ning , Yuhe Ke , Yuqing Shang , Bibhas Chakraborty , Marcus Eng Hock Ong , Roger Vaughan , Nan Liu

Semi-supervised learning (SSL) for medical image segmentation is a challenging yet highly practical task, which reduces reliance on large-scale labeled dataset by leveraging unlabeled samples. Among SSL techniques, the weak-to-strong…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Shiao Xie , Hongyi Wang , Ziwei Niu , Hao Sun , Shuyi Ouyang , Yen-Wei Chen , Lanfen Lin

Large language models (LLMs) have shown remarkable advancements in chemistry and biomedical research, acting as versatile foundation models for various tasks. We introduce AMP-Designer, an LLM-based approach for swiftly designing novel…

Pixel-wise losses, e.g., cross-entropy or L2, have been widely used in structured prediction tasks as a spatial extension of generic image classification or regression. However, its i.i.d. assumption neglects the structural regularity…

Computer Vision and Pattern Recognition · Computer Science 2019-10-22 Jyh-Jing Hwang , Tsung-Wei Ke , Jianbo Shi , Stella X. Yu

Using analog beamforming in mmWave frequency bands we can focus the energy towards a receiver to achieve high throughput. However, this requires the network to quickly find the best downlink beam configuration in the face of non-IID data.…

Information Theory · Computer Science 2023-10-03 Martin Isaksson , Filippo Vannella , David Sandberg , Rickard Cöster

Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…

Biomolecules · Quantitative Biology 2024-02-06 Ziyi Zhou , Liang Zhang , Yuanxi Yu , Mingchen Li , Liang Hong , Pan Tan

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott

Understanding the relationship between antibody sequence, structure and function is essential for the design of antibody-based therapeutics and research tools. Recently, machine learning (ML) models mostly based on the application of large…

Quantitative Methods · Quantitative Biology 2025-10-29 Kevin Michalewicz , Mauricio Barahona , Barbara Bravi

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

Machine Learning · Computer Science 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Apparent parallels between natural language and biological sequence have led to a recent surge in the application of deep language models (LMs) to the analysis of antibody and other biological sequences. However, a lack of a rigorous…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Philippe A. Robert , Rahmad Akbar , Bartlomiej Swiatczak , Geir Kjetil Sandve , Dag Trygve Truslew Haug , Victor Greiff

Human metapneumovirus (hMPV) poses serious risks to pediatric, elderly, and immunocompromised populations. Traditional antibody discovery pipelines require 10-12 months, limiting their applicability for rapid outbreak response. This project…

Quantitative Methods · Quantitative Biology 2025-09-01 Shawnak Shivakumar , Matthew Sandora

This paper introduces EdgeProfiler, a fast profiling framework designed for evaluating lightweight Large Language Models (LLMs) on edge systems. While LLMs offer remarkable capabilities in natural language understanding and generation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-18 Alyssa Pinnock , Shakya Jayakody , Kawsher A Roxy , Md Rubel Ahmed

Recently, action recognition has been dominated by transformer-based methods, thanks to their spatiotemporal contextual aggregation capacities. However, despite the significant progress achieved on scene-related datasets, they do not…

Computer Vision and Pattern Recognition · Computer Science 2025-10-24 Peiqin Zhuang , Lei Bai , Yichao Wu , Ding Liang , Luping Zhou , Yali Wang , Wanli Ouyang

Recent advances in geometric deep learning and generative modeling have enabled the design of novel proteins with a wide range of desired properties. However, current state-of-the-art approaches are typically restricted to generating…

Biomolecules · Quantitative Biology 2025-08-26 Vsevolod Viliuga , Leif Seute , Nicolas Wolf , Simon Wagner , Arne Elofsson , Jan Stühmer , Frauke Gräter

Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating the three-dimensional structure of protein-ligand complexes…

Biomolecules · Quantitative Biology 2023-12-21 Jiaxian Yan , Zhaofeng Ye , Ziyi Yang , Chengqiang Lu , Shengyu Zhang , Qi Liu , Jiezhong Qiu

As forgery types continue to emerge consistently, Incremental Face Forgery Detection (IFFD) has become a crucial paradigm. However, existing methods typically rely on data replay or coarse binary supervision, which fails to explicitly…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Hao Wang , Beichen Zhang , Yanpei Gong , Shaoyi Fang , Zhaobo Qi , Yuanrong Xu , Xinyan Liu , Weigang Zhang

Accurate prediction of antibody-antigen (Ab-Ag) interfaces is critical for vaccine design, immunodiagnostics, and therapeutic antibody development. However, achieving reliable predictions from sequences alone remains a challenge. In this…

Machine Learning · Computer Science 2025-09-30 Zhang-Yu You , Jiahao Ma , Hongzong Li , Ye-Fan Hu , Jian-Dong Huang

Identifying robust and accurate correspondences across images is a fundamental problem in computer vision that enables various downstream tasks. Recent semi-dense matching methods emphasize the effectiveness of fusing relevant cross-view…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Hongkai Chen , Zixin Luo , Yurun Tian , Xuyang Bai , Ziyu Wang , Lei Zhou , Mingmin Zhen , Tian Fang , David McKinnon , Yanghai Tsin , Long Quan