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In this paper we present a sampling framework for RNA structures of fixed topological genus. We introduce a novel, linear time, uniform sampling algorithm for RNA structures of fixed topological genus $g$, for arbitrary $g>0$. Furthermore…

Computational Engineering, Finance, and Science · Computer Science 2013-04-30 Fenix W. D. Huang , Markus E. Nebel , Christian M. Reidys

The folding of RNA and DNA strands plays crucial roles in biological systems and bionanotechnology. However, studying these processes with high-resolution numerical models is beyond current computational capabilities due to the timescales…

Soft Condensed Matter · Physics 2024-02-07 F. Tosti Guerra , E. Poppleton , P. Šulc , L. Rovigatti

Ribonucleic acid (RNA) binds to molecules to achieve specific biological functions. While generative models are advancing biomolecule design, existing methods for designing RNA that target specific ligands face limitations in capturing…

Biomolecules · Quantitative Biology 2025-10-14 Runze Ma , Zhongyue Zhang , Zichen Wang , Chenqing Hua , Jiahua Rao , Zhuomin Zhou , Shuangjia Zheng

Consistently predicting biopolymer structure at atomic resolution from sequence alone remains a difficult problem, even for small sub-segments of large proteins. Such loop prediction challenges, which arise frequently in comparative…

Biomolecules · Quantitative Biology 2014-03-05 Rhiju Das

We describe the Yale-DM-Lab system for the ArchEHR-QA 2026 shared task. The task studies patient-authored questions about hospitalization records and contains four subtasks (ST): clinician-interpreted question reformulation, evidence…

Computation and Language · Computer Science 2026-04-09 Elyas Irankhah , Samah Fodeh

Deep learning (DL) methods have shown remarkable successes in medical image segmentation, often using large amounts of annotated data for model training. However, acquiring a large number of diverse labeled 3D medical image datasets is…

Computer Vision and Pattern Recognition · Computer Science 2024-11-22 Delin An , Pengfei Gu , Milan Sonka , Chaoli Wang , Danny Z. Chen

Accurate prediction of Length of Stay (LOS) in hospitals is crucial for improving healthcare services, resource management, and cost efficiency. This paper presents StayLTC, a multimodal deep learning framework developed to forecast…

Artificial Intelligence · Computer Science 2025-04-09 Sudeshna Jana , Manjira Sinha , Tirthankar Dasgupta

Classification of long sequential data is an important Machine Learning task and appears in many application scenarios. Recurrent Neural Networks, Transformers, and Convolutional Neural Networks are three major techniques for learning from…

Machine Learning · Computer Science 2022-05-30 Lei Cheng , Ruslan Khalitov , Tong Yu , Zhirong Yang

Automatic speech recognition (ASR) systems based on large language models (LLMs) achieve superior performance by leveraging pretrained LLMs as decoders, but their token-by-token generation mechanism leads to inference latency that grows…

Sound · Computer Science 2026-01-27 Wenjie Tian , Bingshen Mu , Guobin Ma , Xuelong Geng , Zhixian Zhao , Lei Xie

Speculative Decoding is a prominent technique for accelerating the autoregressive inference of large language models (LLMs) by employing a fast draft model to propose candidate token sequences and a large target model to verify them in…

Computation and Language · Computer Science 2025-12-18 Chendong Sun , Ali Mao , Lei Xu , mingmin Chen

Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to…

Chemical Physics · Physics 2024-04-22 Kaipeng Zeng , Bo yang , Xin Zhao , Yu Zhang , Fan Nie , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Spiking neural networks (SNNs) are well suited for resource-constrained applications as they do not need expensive multipliers. In a typical rate-encoded SNN, a series of binary spikes within a globally fixed time window is used to fire the…

Neural and Evolutionary Computing · Computer Science 2022-11-16 Zhanglu Yan , Jun Zhou , Weng-Fai Wong

Reinforcement learning (RL) is rapidly reaching and surpassing human-level control capabilities. However, state-of-the-art RL algorithms often require timesteps and reaction times significantly faster than human capabilities, which is…

Machine Learning · Computer Science 2025-07-29 Devdhar Patel , Hava Siegelmann

Accurate RNA structure modeling remains difficult because RNA backbones are highly flexible, non-canonical interactions are prevalent, and experimentally determined 3D structures are comparatively scarce. We introduce \emph{RiboSphere}, a…

Machine Learning · Computer Science 2026-03-23 Zhou Zhang , Hanqun Cao , Cheng Tan , Fang Wu , Pheng Ann Heng , Tianfan Fu

A new statistical method of alignment of two heteropolymers which can form hierarchical cloverleaf-like secondary structures is proposed. This offers a new constructive algorithm for quantitative determination of binding free energy of two…

Quantitative Methods · Quantitative Biology 2010-11-12 S. K. Nechaev , M. V. Tamm , O. V. Valba

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity…

Machine Learning · Computer Science 2019-12-02 Oskar Triebe , Nikolay Laptev , Ram Rajagopal

Structure-based drug design (SBDD) aims to efficiently discover high-affinity ligands within vast chemical spaces. However, current generative models struggle with objective misalignment and rigid sampling budgets. We present MolFORM, a…

Computational Engineering, Finance, and Science · Computer Science 2026-02-26 Daiheng Zhang , Zhao Zhang

RNA is a fundamental class of biomolecules that mediate a large variety of molecular processes within the cell. Computational algorithms can be of great help in the understanding of RNA structure-function relationship. One of the main…

Biomolecules · Quantitative Biology 2015-02-20 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

Alignment-based conformance checking is the state-of-the-art approach for comparing observed process executions with normative process models. The standard exact solution relies on an A*-based heuristic search, which can exhibit exponential…

Artificial Intelligence · Computer Science 2026-05-27 Izack Cohen

Sequence parallelism (SP) serves as a prevalent strategy to handle long sequences that exceed the memory limit of a single device. However, for linear sequence modeling methods like linear attention, existing SP approaches do not take…

Machine Learning · Computer Science 2025-05-19 Weigao Sun , Zhen Qin , Dong Li , Xuyang Shen , Yu Qiao , Yiran Zhong
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