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The design of novel protein structures remains a challenge in protein engineering for applications across biomedicine and chemistry. In this line of work, a diffusion model over rigid bodies in 3D (referred to as frames) has shown success…

Machine Learning · Computer Science 2023-05-24 Jason Yim , Brian L. Trippe , Valentin De Bortoli , Emile Mathieu , Arnaud Doucet , Regina Barzilay , Tommi Jaakkola

Gene expression consists in the synthesis of proteins from the information encoded on DNA. One of the two main steps of gene expression is the translation of messenger RNA (mRNA) into polypeptide sequences of amino acids. Here, by taking…

The task of reassembly is a significant challenge across multiple domains, including archaeology, genomics, and molecular docking, requiring the precise placement and orientation of elements to reconstruct an original structure. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Adeela Islam , Stefano Fiorini , Stuart James , Pietro Morerio , Alessio Del Bue

Recursive (looped) Transformers decouple computational depth from parameter depth by repeatedly applying shared layers, providing an explicit architectural primitive for iterative refinement and latent reasoning. However, early looped…

Machine Learning · Computer Science 2026-04-21 Chengting Yu , Xiaobo Shu , Yadao Wang , Yizhen Zhang , Haoyi Wu , You Wu , Rujiao Long , Ziheng Chen , Yuchi Xu , Wenbo Su , Bo Zheng

The Nearest Neighbor model is the $\textit{de facto}$ thermodynamic model of RNA secondary structure formation and is a cornerstone of RNA structure prediction and sequence design. The current functional form (Turner 2004) contains…

Biomolecules · Quantitative Biology 2025-05-13 Ryan K. Krueger , Sharon Aviran , David H. Mathews , Jeffrey Zuber , Max Ward

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

As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data…

Machine Learning · Computer Science 2024-11-19 Zhuorui Cui , Shengze Dong , Ding Liu

In biology, predicting RNA secondary structures plays a vital role in determining its physical and chemical properties. Although we have powerful energy models to predict them as well as parametric analysis to understand the models…

Biomolecules · Quantitative Biology 2023-05-01 Doan Dai Nguyen

Understanding the base pairing of an RNA sequence provides insight into its molecular structure.By mining suboptimal sampling data, RNAprofiling 1.0 identifies the dominant helices in low-energy secondary structures as features, organizes…

Biomolecules · Quantitative Biology 2023-03-29 Forrest Hurley , Christine Heitsch

RNA is a vital biomolecule with numerous roles and functions within cells, and interest in targeting it for therapeutic purposes has grown significantly in recent years. However, fully understanding and predicting RNA behavior, particularly…

View synthesis methods using implicit continuous shape representations learned from a set of images, such as the Neural Radiance Field (NeRF) method, have gained increasing attention due to their high quality imagery and scalability to high…

Computer Vision and Pattern Recognition · Computer Science 2021-05-20 Guo-Wei Yang , Wen-Yang Zhou , Hao-Yang Peng , Dun Liang , Tai-Jiang Mu , Shi-Min Hu

Feature selection is a data mining task with the potential of speeding up classification algorithms, enhancing model comprehensibility, and improving learning accuracy. However, finding a subset of features that is optimal in terms of…

Machine Learning · Computer Science 2020-07-30 Dariusz Brzezinski

The widespread proliferation of mmW devices has led to a surge of interest in antenna arrays. This interest in arrays is due to their ability to steer beams in desired directions, for the purpose of increasing signal-power and/or decreasing…

Signal Processing · Electrical Eng. & Systems 2023-09-21 Tarun S Cousik , Vijay K Shah , Jeffrey H. Reed Harry X Tran , Rittwik Jana

Non-coding RNA structure and function are essential to understanding various biological processes, such as cell signaling, gene expression, and post-transcriptional regulations. These are all among the core problems in the RNA field. With…

Quantitative Methods · Quantitative Biology 2022-08-09 Jiayang Chen , Zhihang Hu , Siqi Sun , Qingxiong Tan , Yixuan Wang , Qinze Yu , Licheng Zong , Liang Hong , Jin Xiao , Tao Shen , Irwin King , Yu Li

MicroRNAs (miRNAs) are short sequences of ribonucleic acids that control the expression of target messenger RNAs (mRNAs) by binding them. Robust prediction of miRNA-mRNA pairs is of utmost importance in deciphering gene regulations but has…

Machine Learning · Computer Science 2016-09-27 Byunghan Lee , Junghwan Baek , Seunghyun Park , Sungroh Yoon

Boundary representation (B-rep) is the industry standard for computer-aided design (CAD). While deep learning shows promise in processing B-rep models, existing methods suffer from a representation gap: continuous approaches offer…

Machine Learning · Computer Science 2026-02-10 Yuanxu Sun , Yuezhou Ma , Haixu Wu , Guanyang Zeng , Muye Chen , Jianmin Wang , Mingsheng Long

The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Tianyang Xue , Haochen Li , Longdu Liu , Paul Henderson , Pengbin Tang , Lin Lu , Jikai Liu , Haisen Zhao , Hao Peng , Bernd Bickel

Motivation: DNA data is transcribed into single-stranded RNA, which folds into specific molecular structures. In this paper we pose the question to what extent sequence- and structure-information correlate. We view this correlation as…

Combinatorics · Mathematics 2016-08-23 Christopher Barrett , Fenix W. Huang , Christian M. Reidys

Inspired by recent findings that generative diffusion models learn semantically meaningful representations, we use them to discover the intrinsic hierarchical structure in biomedical 3D images using unsupervised segmentation. We show that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-11 Nurislam Tursynbek , Marc Niethammer

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong