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RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like…

Machine Learning · Computer Science 2026-01-28 Qi Si , Xuyang Liu , Penglei Wang , Xin Guo , Yuan Qi , Yuan Cheng

Simulation plays a key role in scaling robot learning and validating policies, but constructing simulations remains a labor-intensive process. This paper introduces ReGen, a generative simulation framework that automates simulation design…

Graph representation learning aims to encode all nodes of a graph into low-dimensional vectors that will serve as input of many compute vision tasks. However, most existing algorithms ignore the existence of inherent data distribution and…

Machine Learning · Computer Science 2020-08-04 Shuai Zheng , Zhenfeng Zhu , Xingxing Zhang , Zhizhe Liu , Jian Cheng , Yao Zhao

We developed a general deep learning framework, FluidGAN, capable of learning and predicting time-dependent convective flow coupled with energy transport. FluidGAN is thoroughly data-driven with high speed and accuracy and satisfies the…

Fluid Dynamics · Physics 2023-06-21 Changlin Jiang , Amir Barati Farimani

We present EasyGen, an efficient model designed to enhance multimodal understanding and generation by harnessing the capabilities of diffusion models and large language models (LLMs), Unlike existing multimodal models that predominately…

Artificial Intelligence · Computer Science 2024-05-20 Xiangyu Zhao , Bo Liu , Qijiong Liu , Guangyuan Shi , Xiao-Ming Wu

The growing importance of mRNA therapeutics and synthetic biology highlights the need for models that capture the latent structure of synonymous codon (different triplets encoding the same amino acid) usage, which subtly modulates…

Quantitative Methods · Quantitative Biology 2025-08-22 Mehdi Yazdani-Jahromi , Ali Khodabandeh Yalabadi , Ozlem Ozmen Garibay

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

Robust object recognition is a crucial ingredient of many, if not all, real-world robotics applications. This paper leverages recent progress on Convolutional Neural Networks (CNNs) and proposes a novel RGB-D architecture for object…

Computer Vision and Pattern Recognition · Computer Science 2015-08-19 Andreas Eitel , Jost Tobias Springenberg , Luciano Spinello , Martin Riedmiller , Wolfram Burgard

Most earlier 3D structure-based molecular generation approaches follow an atom-wise paradigm, incrementally adding atoms to a partially built molecular fragment within protein pockets. These methods, while effective in designing tightly…

RNA function is tied to secondary structure, operating through dynamic and heterogeneous structural ensembles. While current analysis tools typically output single static structures or averaged contact maps, chemical probing methods like…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Jianhui Li , Redmond P. Smyth , Guido Sanguinetti , Giovanni Bussi

A fundamental property of DNA is that the reverse complement (RC) of a sequence often carries identical biological meaning. However, state-of-the-art DNA language models frequently fail to capture this symmetry, producing inconsistent…

Machine Learning · Computer Science 2025-09-24 Mingqian Ma

Diffusion-based image generators can now produce high-quality and diverse samples, but their success has yet to fully translate to 3D generation: existing diffusion methods can either generate low-resolution but 3D consistent outputs, or…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Animesh Karnewar , Niloy J. Mitra , Andrea Vedaldi , David Novotny

In this paper, we propose an end-to-end deep learning model, called E2Efold, for RNA secondary structure prediction which can effectively take into account the inherent constraints in the problem. The key idea of E2Efold is to directly…

Machine Learning · Computer Science 2020-06-11 Xinshi Chen , Yu Li , Ramzan Umarov , Xin Gao , Le Song

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

Within the field of instance segmentation, most of the state-of-the-art deep learning networks rely nowadays on cascade architectures, where multiple object detectors are trained sequentially, re-sampling the ground truth at each step. This…

Computer Vision and Pattern Recognition · Computer Science 2022-06-22 Leonardo Rossi , Akbar Karimi , Andrea Prati

Existing multi-view 3D object reconstruction methods heavily rely on sufficient overlap between input views, where occlusions and sparse coverage in practice frequently yield severe reconstruction incompleteness. Recent advancements in…

Computer Vision and Pattern Recognition · Computer Science 2025-10-28 Jiahao Chang , Chongjie Ye , Yushuang Wu , Yuantao Chen , Yidan Zhang , Zhongjin Luo , Chenghong Li , Yihao Zhi , Xiaoguang Han

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

Recently deep neural networks have been successfully applied in channel coding to improve the decoding performance. However, the state-of-the-art neural channel decoders cannot achieve high decoding performance and low complexity…

Machine Learning · Computer Science 2021-02-16 Siyu Liao , Chunhua Deng , Miao Yin , Bo Yuan

The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow…

Machine Learning · Computer Science 2025-03-03 Ross Irwin , Alessandro Tibo , Jon Paul Janet , Simon Olsson