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Unconditional generation -- the problem of modeling data distribution without relying on human-annotated labels -- is a long-standing and fundamental challenge in generative models, creating a potential of learning from large-scale…

Computer Vision and Pattern Recognition · Computer Science 2024-11-04 Tianhong Li , Dina Katabi , Kaiming He

An RNA sequence is a word over an alphabet on four elements $\{A,C,G,U\}$ called bases. RNA sequences fold into secondary structures where some bases match one another while others remain unpaired. Pseudoknot-free secondary structures can…

Data Structures and Algorithms · Computer Science 2018-03-28 Édouard Bonnet , Paweł Rzążewski , Florian Sikora

Understanding, predicting, and generating object motions and transformations is a core problem in artificial intelligence. Modeling sequences of evolving images may provide better representations and models of motion and may ultimately be…

Computer Vision and Pattern Recognition · Computer Science 2016-12-07 Arnab Ghosh , Viveka Kulharia , Amitabha Mukerjee , Vinay Namboodiri , Mohit Bansal

Designing regulatory DNA elements with precise cell-type-specific activity is broadly relevant for cell engineering and gene therapy. Deep generative models can generate functional gene-regulatory elements, but existing methods struggle to…

Genomics · Quantitative Biology 2026-04-23 Animesh Awasthi , Raphael Bednarsky , Moritz Schaefer , Christoph Bock

Solving the RNA inverse folding problem is a critical prerequisite to RNA design, an emerging field in bioengineering with a broad range of applications from reaction catalysis to cancer therapy. Although significant progress has been made…

Quantitative Methods · Quantitative Biology 2019-03-07 Jade Shi , Rhiju Das , Vijay S. Pande

Proteins are essential components of all living organisms and play a critical role in cellular survival. They have a broad range of applications, from clinical treatments to material engineering. This versatility has spurred the development…

Applications · Statistics 2025-03-28 Chenyu Ren , Daihai He , Jian Huang

Biomolecular networks underpin emerging technologies in synthetic biology-from robust biomanufacturing and metabolic engineering to smart therapeutics and cell-based diagnostics-and also provide a mechanistic language for understanding…

Quantitative Methods · Quantitative Biology 2026-03-02 Maurice Filo , Nicolò Rossi , Zhou Fang , Mustafa Khammash

Generative models using neural network have opened a door to large-scale studies for various application domains, especially for studies that suffer from lack of real samples to obtain statistically robust inference. Typically, these…

Computer Vision and Pattern Recognition · Computer Science 2018-12-12 Seong Jae Hwang , Zirui Tao , Won Hwa Kim , Vikas Singh

Retrieval-Augmented Generation (RAG) improves factual grounding in large language models but suffers from substantial latency due to synchronous retrieval. While recent work explores asynchronous retrieval, existing approaches rely on…

Computation and Language · Computer Science 2026-05-19 Wuyang Zhang , Shichao Pei

The evolution of the genome has led to very sophisticated and complex regulation. Because of the abundance of non-coding RNA (ncRNA) in the cell, different species will promiscuously associate with each other, suggesting collective dynamics…

Molecular Networks · Quantitative Biology 2018-05-16 J. M. Deutsch

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

Biological sequences encode fundamental instructions for the building blocks of life, in the form of DNA, RNA, and proteins. Modeling these sequences is key to understand disease mechanisms and is an active research area in computational…

Retrieval-augmented generation (RAG) for language models significantly improves language understanding systems. The basic retrieval-then-read pipeline of response generation has evolved into a more extended process due to the integration of…

Computation and Language · Computer Science 2025-04-22 Yunxiao Shi , Xing Zi , Zijing Shi , Haimin Zhang , Qiang Wu , Min Xu

The modeling of genomic sequences presents unique challenges due to their length and structural complexity. Traditional sequence models struggle to capture long-range dependencies and biological features inherent in DNA. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2026-03-09 Qirong Yang , Yucheng Guo , Zicheng Liu , Yujie Yang , Qijin Yin , Siyuan Li , Shaomin Ji , Linlin Chao , Xiaoming Zhang , Stan Z. Li

Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in…

Machine Learning · Computer Science 2025-07-29 Zian Li , Cai Zhou , Xiyuan Wang , Xingang Peng , Muhan Zhang

Retrieval-Augmented Generation (RAG) systems have emerged as a promising solution to enhance large language models (LLMs) by integrating external knowledge retrieval with generative capabilities. While significant advancements have been…

Human-Computer Interaction · Computer Science 2025-08-11 Sizhe Cheng , Jiaping Li , Huanchen Wang , Yuxin Ma

Function in natural systems arises from one-dimensional sequences forming three-dimensional structures with specific properties. However, current generative models suffer from critical limitations: training objectives seldom target function…

The task of RNA design given a target structure aims to find a sequence that can fold into that structure. It is a computationally hard problem where some version(s) have been proven to be NP-hard. As a result, heuristic methods such as…

Biomolecules · Quantitative Biology 2024-12-13 Wei Yu Tang , Ning Dai , Tianshuo Zhou , David H. Mathews , Liang Huang

Typical engineering design tasks require the effort to modify designs iteratively until they meet certain constraints, i.e., performance or attribute requirements. Past work has proposed ways to solve the inverse design problem, where…

Machine Learning · Computer Science 2021-03-11 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Retrieval-Augmented Generation (RAG) systems have recently shown remarkable advancements by integrating retrieval mechanisms into language models, enhancing their ability to produce more accurate and contextually relevant responses.…

Computation and Language · Computer Science 2025-01-14 Siran Li , Linus Stenzel , Carsten Eickhoff , Seyed Ali Bahrainian