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Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has…

Computation and Language · Computer Science 2025-05-20 Yanting Li , Jiyue Jiang , Zikang Wang , Ziqian Lin , Dongchen He , Yuheng Shan , Yanruisheng Shao , Jiayi Li , Xiangyu Shi , Jiuming Wang , Yanyu Chen , Yimin Fan , Han Li , Yu Li

Multiple sequence alignment (MSA) data play a crucial role in the study of protein mutations, with contact prediction being a notable application. Existing methods are often model-based or algorithmic and typically do not incorporate…

Methodology · Statistics 2026-01-23 Fan Yang , Zhao Ren , Wen Zhou , Kejue Jia , Robert Jernigan

Using evolutionary computation algorithms to solve multiple tasks with knowledge sharing is a promising approach. Image feature learning can be considered as a multitask problem because different tasks may have a similar feature space.…

Computer Vision and Pattern Recognition · Computer Science 2021-07-16 Ying Bi , Bing Xue , Mengjie Zhang

LiDAR and camera fusion techniques are promising for achieving 3D object detection in autonomous driving. Most multi-modal 3D object detection frameworks integrate semantic knowledge from 2D images into 3D LiDAR point clouds to enhance…

Computer Vision and Pattern Recognition · Computer Science 2023-06-21 Shaoqing Xu , Fang Li , Ziying Song , Jin Fang , Sifen Wang , Zhi-Xin Yang

Multidimensional genetic programming represents candidate solutions as sets of programs, and thereby provides an interesting framework for exploiting building block identification. Towards this goal, we investigate the use of machine…

Neural and Evolutionary Computing · Computer Science 2019-04-19 William La Cava , Jason H. Moore

It is a big challenge to develop efficient models for identifying personalized drug targets (PDTs) from high-dimensional personalized genomic profile of individual patients. Recent structural network control principles have introduced a new…

Neural and Evolutionary Computing · Computer Science 2023-06-26 Jing Liang , Zhuo Hu , Zong-Wei Li , Kang-Jia Qiao , Wei-Feng Guo

Multi-objective optimization is a common problem in practical applications, and multi-objective evolutionary algorithm (MOEA) is considered as one of the effective methods to solve these problems. However, their randomness sometimes…

Neural and Evolutionary Computing · Computer Science 2024-10-04 Wanyi Liu , Long Chen , Zhenzhou Tang

Inferring spatial transcriptomics (ST) from histology enables scalable histogenomic profiling, yet current methods are largely restricted to single-tissue models. This fragmentation fails to leverage biological principles shared across…

Machine Learning · Computer Science 2026-05-13 Susu Hu , Stefanie Speidel

The processes occurring in climatic change evolution and their variations play a major role in environmental engineering. Different techniques are used to model the relationship between temperatures, dew point and relative humidity. Gene…

Neural and Evolutionary Computing · Computer Science 2013-04-19 Siddharth Shroff , Vipul Dabhi

Effective generation of molecular structures, or new chemical entities, that bind to target proteins is crucial for lead identification and optimization in drug discovery. Despite advancements in atom- and motif-wise deep learning models…

Machine Learning · Computer Science 2025-03-04 Guanlue Li , Chenran Jiang , Ziqi Gao , Yu Liu , Chenyang Liu , Jiean Chen , Yong Huang , Jia Li

Post-training of LLMs with RLHF, and subsequently preference optimization algorithms such as DPO, IPO, etc., made a big difference in improving human alignment. However, all such techniques can only work with a single (human) objective. In…

Machine Learning · Computer Science 2025-05-19 Akhil Agnihotri , Rahul Jain , Deepak Ramachandran , Zheng Wen

Multiresolution Matrix Factorization (MMF) is unusual amongst fast matrix factorization algorithms in that it does not make a low rank assumption. This makes MMF especially well suited to modeling certain types of graphs with complex…

Machine Learning · Computer Science 2024-08-20 Truong Son Hy , Thieu Khang , Risi Kondor

Accurate segmentation of lesion regions is crucial for clinical diagnosis and treatment across various diseases. While deep convolutional networks have achieved satisfactory results in medical image segmentation, they face challenges such…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Yulin Chen , Guoheng Huang , Kai Huang , Zijin Lin , Guo Zhong , Shenghong Luo , Jie Deng , Jian Zhou

Decreasing costs and new technologies have led to an increase in the amount of data available to plant breeding programs. High-throughput phenotyping (HTP) platforms routinely generate high-dimensional datasets of secondary features that…

Recently, multimodal deep learning, which integrates histopathology slides and molecular biomarkers, has achieved a promising performance in glioma grading. Despite great progress, due to the intra-modality complexity and inter-modality…

Computer Vision and Pattern Recognition · Computer Science 2024-08-19 Li Pan , Yupei Zhang , Qiushi Yang , Tan Li , Xiaohan Xing , Maximus C. F. Yeung , Zhen Chen

Biomedical data is filled with continuous real values; these values in the feature set tend to create problems like underfitting, the curse of dimensionality and increase in misclassification rate because of higher variance. In response,…

Artificial Intelligence · Computer Science 2020-04-17 Deepak Singh , Dilip Singh Sisodia , Pradeep Singh

Mixed-integer programming (MIP) technology offers a generic way of formulating and solving combinatorial optimization problems. While generally reliable, state-of-the-art MIP solvers base many crucial decisions on hand-crafted heuristics,…

Machine Learning · Computer Science 2022-05-31 Elias B. Khalil , Christopher Morris , Andrea Lodi

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

Building interpretation from remote sensing imagery primarily involves two fundamental tasks: building extraction and change detection. However, most existing methods address these tasks independently, overlooking their inherent correlation…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Dehua Huo , Weida Zhan , Jinxin Guo , Depeng Zhu , Yu Chen , YiChun Jiang , Yueyi Han , Deng Han , Jin Li
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