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Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions,…

Machine Learning · Computer Science 2021-06-01 Jiaxiang Wu , Shitong Luo , Tao Shen , Haidong Lan , Sheng Wang , Junzhou Huang

Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this…

Biomolecules · Quantitative Biology 2026-01-02 Yi Zhou , Chan Lu , Yiming Ma , Wei Qu , Fei Ye , Kexin Zhang , Lan Wang , Minrui Gui , Quanquan Gu

Neuro-symbolic methods integrate neural architectures, knowledge representation and reasoning. However, they have been struggling at both dealing with the intrinsic uncertainty of the observations and scaling to real-world applications.…

Artificial Intelligence · Computer Science 2025-01-16 Giuseppe Marra , Michelangelo Diligenti , Francesco Giannini

Leveraging on the underlying low-dimensional structure of data, low-rank and sparse modeling approaches have achieved great success in a wide range of applications. However, in many applications the data can display structures beyond simply…

Machine Learning · Computer Science 2019-12-04 Zhao Kang , Xiao Lu , Yiwei Lu , Chong Peng , Zenglin Xu

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

This work proposes an algorithm for explicitly constructing a pair of neural networks that linearize and reconstruct an embedded submanifold, from finite samples of this manifold. Our such-generated neural networks, called Flattening…

Machine Learning · Computer Science 2023-09-11 Michael Psenka , Druv Pai , Vishal Raman , Shankar Sastry , Yi Ma

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…

In the last decade of automatic speech recognition (ASR) research, the introduction of deep learning brought considerable reductions in word error rate of more than 50% relative, compared to modeling without deep learning. In the wake of…

Audio and Speech Processing · Electrical Eng. & Systems 2023-03-07 Rohit Prabhavalkar , Takaaki Hori , Tara N. Sainath , Ralf Schlüter , Shinji Watanabe

The reconstruction of a high resolution image given a low resolution observation is an ill-posed inverse problem in imaging. Deep learning methods rely on training data to learn an end-to-end mapping from a low-resolution input to a…

Image and Video Processing · Electrical Eng. & Systems 2023-07-19 Iman Marivani , Evaggelia Tsiligianni , Bruno Cornelis , Nikos Deligiannis

The tertiary structures of functional RNA molecules remain difficult to decipher. A new generation of automated RNA structure prediction methods may help address these challenges but have not yet been experimentally validated. Here we apply…

Biomolecules · Quantitative Biology 2011-10-05 Wipapat Kladwang , Fang-Chieh Chou , Rhiju Das

Pre-routing slack prediction remains a critical area of research in Electronic Design Automation (EDA). Despite numerous machine learning-based approaches targeting this task, there is still a lack of a truly end-to-end framework that…

Machine Learning · Computer Science 2025-01-15 Saurabh Bodhe , Zhanguang Zhang , Atia Hamidizadeh , Shixiong Kai , Yingxue Zhang , Mingxuan Yuan

Computational RNA secondary structure prediction is rather well established. However, such prediction algorithms always depend on a large number of experimentally measured parameters. Here, we study how sensitive structure prediction…

Quantitative Methods · Quantitative Biology 2007-05-23 D. M. Layton , R. Bundschuh

There exists many complicated $k$-noncrossing pseudoknot RNA structures in nature based on some special conditions. The special characteristic of RNA structures gives us great challenges in researching the enumeration, prediction and the…

Combinatorics · Mathematics 2020-11-23 Yangyang Zhao

RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…

Biomolecules · Quantitative Biology 2019-03-04 William D. Baez , Kay Jörg Wiese , Ralf Bundschuh

Gene expression can be used to subtype breast cancer with improved prediction of risk of recurrence and treatment responsiveness over that obtained using routine immunohistochemistry (IHC). However, in the clinic, molecular profiling is…

Computer Vision and Pattern Recognition · Computer Science 2023-05-09 Raktim Kumar Mondol , Ewan K. A. Millar , Peter H Graham , Lois Browne , Arcot Sowmya , Erik Meijering

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

Most recent semi-supervised deep learning (deep SSL) methods used a similar paradigm: use network predictions to update pseudo-labels and use pseudo-labels to update network parameters iteratively. However, they lack theoretical support and…

Computer Vision and Pattern Recognition · Computer Science 2019-11-28 Guo-Hua Wang , Jianxin Wu

We enumerate the number of RNA contact structures according to their genus, i.e. the topological character of their pseudoknots. By using a recently proposed matrix model formulation for the RNA folding problem, we obtain exact results for…

Biomolecules · Quantitative Biology 2009-11-10 G. Vernizzi , H. Orland , A. Zee

Deep learning based methods hold state-of-the-art results in image denoising, but remain difficult to interpret due to their construction from poorly understood building blocks such as batch-normalization, residual learning, and feature…

Image and Video Processing · Electrical Eng. & Systems 2021-03-09 Nikola Janjušević , Amirhossein Khalilian-Gourtani , Yao Wang

Predicting the consensus structure of a set of aligned RNA homologs is a convenient method to find conserved structures in an RNA genome, which has many applications including viral diagnostics and therapeutics. However, the most commonly…

Biomolecules · Quantitative Biology 2024-07-08 Apoorv Malik , Liang Zhang , Milan Gautam , Ning Dai , Sizhen Li , He Zhang , David H. Mathews , Liang Huang