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RNA design aims to find a sequence that folds with highest probability into a designated target structure. However, certain structures are undesignable, meaning no sequence can fold into the target structure under the default (Turner) RNA…

Data Structures and Algorithms · Computer Science 2025-05-06 Tianshuo Zhou , Wei Yu Tang , Apoorv Malik , David H. Mathews , Liang Huang

Retrieval-Augmented Generation (RAG) has shown significant improvements in various natural language processing tasks by integrating the strengths of large language models (LLMs) and external knowledge databases. However, RAG introduces long…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-26 Chao Jin , Zili Zhang , Xuanlin Jiang , Fangyue Liu , Xin Liu , Xuanzhe Liu , Xin Jin

This paper introduces a cognitive Retrieval-Augmented Generator (RAG) architecture that transcends transformer context-length limitations through phase-coded memory and morphological-semantic resonance. Instead of token embeddings, the…

Neural and Evolutionary Computing · Computer Science 2025-11-18 Denis V. Saklakov

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

Accurate prediction of RNA three-dimensional (3D) structure remains an unsolved challenge. Determining RNA 3D structures is crucial for understanding their functions and informing RNA-targeting drug development and synthetic biology design.…

Single-cell RNA sequencing (scRNA-seq) is essential for unraveling cellular heterogeneity and diversity, offering invaluable insights for bioinformatics advancements. Despite its potential, traditional clustering methods in scRNA-seq data…

Machine Learning · Computer Science 2025-10-01 Ping Xu , Zhiyuan Ning , Meng Xiao , Guihai Feng , Xin Li , Yuanchun Zhou , Pengfei Wang

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly…

Machine Learning · Computer Science 2025-03-19 Haowei Lin , Shanda Li , Haotian Ye , Yiming Yang , Stefano Ermon , Yitao Liang , Jianzhu Ma

Retrieval-Augmented Generation (RAG) has become a standard architectural pattern for incorporating domain-specific knowledge into user-facing chat applications powered by Large Language Models (LLMs). RAG systems are characterized by (1) a…

Computation and Language · Computer Science 2025-01-17 Robert Friel , Masha Belyi , Atindriyo Sanyal

Retrieval-Augmented Generation (RAG) plays a pivotal role in modern large language model applications, with numerous existing frameworks offering a wide range of functionalities to facilitate the development of RAG systems. However, we have…

Computation and Language · Computer Science 2025-07-01 Zhuocheng Zhang , Yang Feng , Min Zhang

Generative machine learning has emerged as a powerful tool for design representation and exploration. However, its application is often constrained by the need for large datasets of existing designs and the lack of interpretability about…

Machine Learning · Computer Science 2025-08-13 Eric Seng , Hugh O'Connor , Adam Boyce , Josh J. Bailey , Anton van Beek

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Flow-guided Localization (FGL) enables the identification of spatial regions within the human body that contain an event of diagnostic interest. FGL does that by leveraging the passive movement of energy-constrained nanodevices circulating…

Emerging Technologies · Computer Science 2025-08-25 Mika Leo Hube , Filip Lemic , Ethungshan Shitiri , Gerard Calvo Bartra , Sergi Abadal , Xavier Costa Pérez

Functional annotation of microbial genomes is often biased toward protein-coding genes, leaving a vast, unexplored landscape of non-coding RNAs (ncRNAs) that are critical for regulating bacterial and archaeal physiology, stress response and…

Genomics · Quantitative Biology 2025-07-17 Lauren Lui , Torben Nielsen

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate protein using structural and evolutionary guidance, which only…

Quantitative Methods · Quantitative Biology 2024-12-13 Chaohao Yuan , Songyou Li , Geyan Ye , Yikun Zhang , Long-Kai Huang , Wenbing Huang , Wei Liu , Jianhua Yao , Yu Rong

Accurate prediction of RNA secondary structure underpins transcriptome annotation, mechanistic analysis of non-coding RNAs, and RNA therapeutic design. Recent gains from deep learning and RNA foundation models are difficult to interpret…

Biomolecules · Quantitative Biology 2026-03-25 Zhiyuan Chen , Zhenfeng Deng , Pan Deng , Yue Liao , Xiu Su , Peng Ye , Xihui Liu

RNA-Seq analysis has revolutionized researchers' understanding of the transcriptome in biological research. Assessing the differences in transcriptomic profiles between tissue samples or patient groups enables researchers to explore the…

We propose a simple yet highly effective method that addresses the mode-collapse problem in the Conditional Generative Adversarial Network (cGAN). Although conditional distributions are multi-modal (i.e., having many modes) in practice,…

Machine Learning · Computer Science 2019-01-28 Dingdong Yang , Seunghoon Hong , Yunseok Jang , Tianchen Zhao , Honglak Lee

A unified diffusion framework for multi-modal generation and understanding has the transformative potential to achieve seamless and controllable image diffusion and other cross-modal tasks. In this paper, we introduce MMGen, a unified…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Jiepeng Wang , Zhaoqing Wang , Hao Pan , Yuan Liu , Dongdong Yu , Changhu Wang , Wenping Wang

Recent advances in Structure-based Drug Design (SBDD) have leveraged generative models for 3D molecular generation, predominantly evaluating model performance by binding affinity to target proteins. However, practical drug discovery…

Neural approaches to sequence labeling often use a Conditional Random Field (CRF) to model their output dependencies, while Recurrent Neural Networks (RNN) are used for the same purpose in other tasks. We set out to establish RNNs as an…

Machine Learning · Computer Science 2018-10-02 Saeed Najafi , Colin Cherry , Grzegorz Kondrak
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