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Learning to solve a Rubik's Cube requires the learners to repeatedly practice a skill component, e.g., identifying a misplaced square and putting it back. However, for 3D physical tasks such as this, generating sufficient repeated practice…

Human-Computer Interaction · Computer Science 2025-05-16 Haocheng Ren , Muzhe Wu , Gregory Croisdale , Anhong Guo , Xu Wang

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…

Biomolecules · Quantitative Biology 2023-02-14 Gabriele Corso , Hannes Stärk , Bowen Jing , Regina Barzilay , Tommi Jaakkola

Modern automated microscopy faces a fundamental discovery challenge: in many systems, the most important scientific information does not reside in the immediately visible image features, but in the target space of sequentially acquired…

Deploying Large Language Models to data-scarce programming domains poses significant challenges, particularly for kernel synthesis on emerging Domain-Specific Architectures where a "Data Wall" limits available training data. While models…

Machine Learning · Computer Science 2026-03-12 Yujie Zheng , Zhuo Li , Shengtao Zhang , Hanjing Wang , Junjie Sheng , Jiaqian Wang , Junchi Yan , Weinan Zhang , Ying Wen , Bo Tang , Muning Wen

Background: Small interfering RNA (siRNA) is a promising therapeutic agent due to its ability to silence disease-related genes via RNA interference. While traditional machine learning and early deep learning methods have made progress in…

Biomolecules · Quantitative Biology 2025-03-07 Wangdan Liao , Weidong Wang

Deep Research agents predominantly optimize search policies to maximize retrieval probability. However, we identify a critical bottleneck: the retrieval-utilization gap, where models fail to use gold evidence even after it is retrieved, due…

Computation and Language · Computer Science 2026-01-08 Shuo Lu , Yinuo Xu , Jianjie Cheng , Lingxiao He , Meng Wang , Jian Liang

Brain imaging analysis is fundamental in neuroscience, providing valuable insights into brain structure and function. Traditional workflows follow a sequential pipeline-brain extraction, registration, segmentation, parcellation, network…

Image and Video Processing · Electrical Eng. & Systems 2025-02-27 Yao Su , Keqi Han , Mingjie Zeng , Lichao Sun , Liang Zhan , Carl Yang , Lifang He , Xiangnan Kong

We consider error-correcting coding for deoxyribonucleic acid (DNA)-based storage using nanopore sequencing. We model the DNA storage channel as a sampling noise channel where the input data is chunked into $M$ short DNA strands, which are…

Information Theory · Computer Science 2024-06-21 Lorenz Welter , Roman Sokolovskii , Thomas Heinis , Antonia Wachter-Zeh , Eirik Rosnes , Alexandre Graell i Amat

Neuro-symbolic AI systems integrate neural perception with symbolic reasoning to enable data-efficient, interpretable, and robust intelligence beyond purely neural models. Although this compositional paradigm has shown superior performance…

Artificial Intelligence · Computer Science 2026-01-29 Zishen Wan , Che-Kai Liu , Jiayi Qian , Hanchen Yang , Arijit Raychowdhury , Tushar Krishna

Deep learning has achieved excellent performance in various computer vision tasks, but requires a lot of training examples with clean labels. It is easy to collect a dataset with noisy labels, but such noise makes networks overfit seriously…

Computer Vision and Pattern Recognition · Computer Science 2022-02-18 Kun Yi , Guo-Hua Wang , Jianxin Wu

Large-scale vision foundation models such as DINOv2 boast impressive performances by leveraging massive architectures and training datasets. But numerous scenarios require practitioners to reproduce those pre-training solutions, such as on…

Computer Vision and Pattern Recognition · Computer Science 2026-01-30 Jiaqi Zhang , Juntuo Wang , Zhixin Sun , John Zou , Randall Balestriero

We present neural activation coding (NAC) as a novel approach for learning deep representations from unlabeled data for downstream applications. We argue that the deep encoder should maximize its nonlinear expressivity on the data for…

Machine Learning · Computer Science 2021-12-09 Yookoon Park , Sangho Lee , Gunhee Kim , David M. Blei

The mRNA optimization is critical for therapeutic and biotechnological applications, since sequence features directly govern protein expression levels and efficacy. However, current methods face significant challenges in simultaneously…

Quantitative Methods · Quantitative Biology 2025-06-02 Zheng Gong , Ziyi Jiang , Weihao Gao , Deng Zhuo , Lan Ma

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

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…

Chemical Physics · Physics 2024-02-23 Runqiu Shu , Bowen Liu , Zhaoping Xiong , Xiaopeng Cui , Yunting Li , Wei Cui , Man-Hong Yung , Nan Qiao

Pushing forward the compute efficacy frontier in deep learning is critical for tasks that require frequent model re-training or workloads that entail training a large number of models. We introduce SliceOut -- a dropout-inspired scheme…

Machine Learning · Computer Science 2021-04-02 Pascal Notin , Aidan N. Gomez , Joanna Yoo , Yarin Gal

Noise characterization methods such as randomized benchmarking (RB) are critical for the development of scalable quantum computers. Modern RB protocols for multiqubit systems extract physically relevant error rates by exploiting the…

Quantum Physics · Physics 2026-04-15 Yale Fan , Riley Murray , Thaddeus D. Ladd , Kevin Young , Robin Blume-Kohout

Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the…

Quantum Physics · Physics 2024-05-22 Michael Kölle , Timo Witter , Tobias Rohe , Gerhard Stenzel , Philipp Altmann , Thomas Gabor

Deep learning using multi-layer neural networks (NNs) architecture manifests superb power in modern machine learning systems. The trained Deep Neural Networks (DNNs) are typically large. The question we would like to address is whether it…

Computer Vision and Pattern Recognition · Computer Science 2016-07-05 Wei Pan , Hao Dong , Yike Guo
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