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Lattice models, for their coarse-grained nature, are best suited for the study of the ``designability problem'', the phenomenon in which most of the about 16,000 proteins of known structure have their native conformations concentrated in a…

Biological Physics · Physics 2009-11-07 C. T. Shih , Z. Y. Su , J. F. Gwan , B. L. Hao , C. H. Hsieh , J. L. Lo. , H. C. Lee

The third autoPET challenge introduced a new data-centric task this year, shifting the focus from model development to improving metastatic lesion segmentation on PET/CT images through data quality and handling strategies. In response, we…

Image and Video Processing · Electrical Eng. & Systems 2024-09-17 Balint Kovacs , Shuhan Xiao , Maximilian Rokuss , Constantin Ulrich , Fabian Isensee , Klaus H. Maier-Hein

Large Deep Learning models are compressed and deployed for specific applications. However, current Deep Learning model compression methods do not utilize the information about the target application. As a result, the compressed models are…

Computation and Language · Computer Science 2024-09-10 Rohit Raj Rai , Angana Borah , Amit Awekar

Inverse design of short single-stranded RNA and DNA sequences (aptamers) is the task of finding sequences that satisfy a set of desired criteria. Relevant criteria may be, for example, the presence of specific folding motifs, binding to…

Designing novel functional proteins remains a slow and expensive process due to a variety of protein engineering challenges; in particular, the number of protein variants that can be experimentally tested in a given assay pales in…

Quantitative Methods · Quantitative Biology 2023-05-29 M. Zaki Jawaid , Robin W. Yeo , Aayushma Gautam , T. Blair Gainous , Daniel O. Hart , Timothy P. Daley

Deep learning models achieve state-of-the-art performance across domains but face scalability challenges in real-time or resource-constrained scenarios. To address this, we propose Loss Trajectory Correlation (LTC), a novel metric for…

Machine Learning · Computer Science 2025-03-14 Manish Nagaraj , Deepak Ravikumar , Efstathia Soufleri , Kaushik Roy

Embedding tables are usually huge in click-through rate (CTR) prediction models. To train and deploy the CTR models efficiently and economically, it is necessary to compress their embedding tables at the training stage. To this end, we…

Machine Learning · Computer Science 2024-08-07 Shiwei Li , Huifeng Guo , Lu Hou , Wei Zhang , Xing Tang , Ruiming Tang , Rui Zhang , Ruixuan Li

Motivation: Post-database searching is a key procedure in peptide dentification with tandem mass spectrometry (MS/MS) strategies for refining peptide-spectrum matches (PSMs) generated by database search engines. Although many statistical…

Machine Learning · Statistics 2018-05-09 Xijun Liang , Zhonghang Xia , Yongxiang Wang , Ling Jian , Xinnan Niu , Andrew Link

The advent of deep learning has introduced efficient approaches for de novo protein sequence design, significantly improving success rates and reducing development costs compared to computational or experimental methods. However, existing…

Artificial Intelligence · Computer Science 2024-07-11 Yutong Hu , Yang Tan , Andi Han , Lirong Zheng , Liang Hong , Bingxin Zhou

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Multimodal positron emission tomography-computed tomography (PET-CT) is used routinely in the assessment of cancer. PET-CT combines the high sensitivity for tumor detection with PET and anatomical information from CT. Tumor segmentation is…

Image and Video Processing · Electrical Eng. & Systems 2022-06-13 Xiaohang Fu , Lei Bi , Ashnil Kumar , Michael Fulham , Jinman Kim

Targeting error-tolerant applications, approximate computing relaxes rigid functional equivalence to significantly improve power, performance, and area. Traditional approximate logic synthesis (ALS) relies on incremental rewriting, limiting…

Hardware Architecture · Computer Science 2026-04-28 Jingxin Wang , Shitong Guo , Wenhui Liang , Ruicheng Dai , Ruogu Ding , Xin Ning , Weikang Qian

Labeling medical images depends on professional knowledge, making it difficult to acquire large amount of annotated medical images with high quality in a short time. Thus, making good use of limited labeled samples in a small dataset to…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Peng Jiang , Juan Liu , Lang Wang , Zhihui Ynag , Hongyu Dong , Jing Feng

Structure-based drug design has seen significant advancements with the integration of artificial intelligence (AI), particularly in the generation of hit and lead compounds. However, most AI-driven approaches neglect the importance of…

Machine Learning · Computer Science 2025-11-10 Xinheng He , Yijia Zhang , Haowei Lin , Xingang Peng , Xiangzhe Kong , Mingyu Li , Jianzhu Ma

Pancreatic cancer with more than 60,000 new cases each year has less than 10 percent 5-year overall survival. Radiation therapy (RT) is an effective treatment for Locally advanced pancreatic cancer (LAPC). The current clinical RT workflow…

Medical Physics · Physics 2023-06-07 Hamed Hooshangnejad , Quan Chen , Xue Feng , Rui Zhang , Kai Ding

Rationale: In a shotgun proteomics experiment with data-dependent acquisition, real-time analysis of a precursor scan results in selection of a handful of peaks for subsequent isolation, fragmentation and secondary scanning. This peak…

Quantitative Methods · Quantitative Biology 2012-07-26 Benjamin J. Diament , Michael J. MacCoss , William Stafford Noble

Accurate predictions of peptide retention times (RT) in liquid chromatography have many applications in mass spectrometry-based proteomics. Herein, we present DeepRT, a deep learning based software for peptide retention time prediction.…

Quantitative Methods · Quantitative Biology 2017-05-17 Chunwei Ma , Zhiyong Zhu , Jun Ye , Jiarui Yang , Jianguo Pei , Shaohang Xu , Ruo Zhou , Chang Yu , Fan Mo , Bo Wen , Siqi Liu

To promote the widespread use of mobile robots in diverse fields, the performance of trajectory tracking must be ensured. To address the constraints and nonlinear features associated with mobile robot systems, we apply nonlinear model…

Systems and Control · Electrical Eng. & Systems 2023-02-17 Kangbo Wang , Kaijie Zhang , Yating Huang , Jun Xu

Efficiently steering generative models toward pharmacologically relevant regions of chemical space remains a major obstacle in molecular drug discovery under low-data regimes. We present VECTOR+: Valid-property-Enhanced Contrastive Learning…

Machine Learning · Computer Science 2025-09-03 Amartya Banerjee , Somnath Kar , Anirban Pal , Debabrata Maiti

Popular PEFT methods reduce trainable parameter count for fine-tuning by parameterizing new low-rank or sparse trainable weights in parallel to the frozen pre-trained weights $W$. However, these weights are trained from scratch, and there…

Machine Learning · Computer Science 2025-08-15 Suhas G Hegde , Shilpy Kaur , Aruna Tiwari