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Practical use of neural networks often involves requirements on latency, energy and memory among others. A popular approach to find networks under such requirements is through constrained Neural Architecture Search (NAS). However, previous…

Machine Learning · Computer Science 2022-04-28 Niv Nayman , Yonathan Aflalo , Asaf Noy , Rong Jin , Lihi Zelnik-Manor

Searching for potential active compounds in large databases is a necessary step to reduce time and costs in modern drug discovery pipelines. Such virtual screening methods seek to provide predictions that allow the search space to be…

Biomolecules · Quantitative Biology 2023-05-23 Rafael Mena-Yedra , Juana L. Redondo , Horacio Pérez-Sánchez , Pilar M. Ortigosa

Accurate RNA secondary structure prediction is vital for understanding cellular regulation and disease mechanisms. Deep learning (DL) methods have surpassed traditional algorithms by predicting complex features like pseudoknots and…

Biomolecules · Quantitative Biology 2024-01-12 Frederic Runge , Jörg K. H. Franke , Daniel Fertmann , Frank Hutter

Motivation: Detection of structural variants (SV) from the alignment of sample DNA reads to the reference genome is an important problem in understanding human diseases. Long reads that can span repeat regions, along with an accurate…

Genomics · Quantitative Biology 2023-01-25 Dhaivat Joshi , Suhas Diggavi , Mark J. P. Chaisson , Sreeram Kannan

Lipid nanoparticles (LNPs) are highly effective carriers for gene therapies, including mRNA and siRNA delivery, due to their ability to transport nucleic acids across biological membranes, low cytotoxicity, improved pharmacokinetics, and…

Biomolecules · Quantitative Biology 2025-06-06 Gaurav Kumar , Arezoo M. Ardekani

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base…

Artificial Intelligence · Computer Science 2025-02-04 L. I. Zablocki , L. A. Bugnon , M. Gerard , L. Di Persia , G. Stegmayer , D. H. Milone

Large language models (LLMs), including zero-shot and few-shot paradigms, have shown promising capabilities in clinical text generation. However, real-world applications face two key challenges: (1) patient data is highly unstructured,…

Computation and Language · Computer Science 2025-07-10 Garapati Keerthana , Manik Gupta

Despite significant medical advancements, cancer remains the second leading cause of death, with over 600,000 deaths per year in the US. One emerging field, pathway analysis, is promising but still relies on manually derived wet lab data,…

Machine Learning · Computer Science 2025-09-17 Rishab Parthasarathy , Achintya Bhowmik

Stochastic Alternating Least Squares (SALS) is a method that approximates the canonical decomposition of averages of sampled random tensors. Its simplicity and efficient memory usage make SALS an ideal tool for decomposing tensors in an…

Numerical Analysis · Mathematics 2020-04-28 Yanzhao Cao , Somak Das , Luke Oeding , Hans-Werner van Wyk

The sparsity-ranked lasso (SRL) has been developed for model selection and estimation in the presence of interactions and polynomials. The main tenet of the SRL is that an algorithm should be more skeptical of higher-order polynomials and…

Methodology · Statistics 2024-03-11 Ryan Peterson , Joseph Cavanaugh

Virtual screening (VS) is a critical component of modern drug discovery, yet most existing methods--whether physics-based or deep learning-based--are developed around holo protein structures with known ligand-bound pockets. Consequently,…

Machine Learning · Computer Science 2025-10-31 Wenyu Zhu , Jianhui Wang , Bowen Gao , Yinjun Jia , Haichuan Tan , Ya-Qin Zhang , Wei-Ying Ma , Yanyan Lan

Messenger RNA (mRNA) sequences as therapeutics require optimized design to ensure efficient translation, structural stability, and minimal immunogenicity. This study presents a two-stage in-silico framework that integrates deep learning and…

Computation and Language · Computer Science 2026-05-28 Dhawa Sang Dong , Mausam Gurung , Suraj Kandel

Many computerized methods for RNA-RNA interaction structure prediction have been developed. Recently, $O(N^6)$ time and $O(N^4)$ space dynamic programming algorithms have become available that compute the partition function of RNA-RNA…

Mathematical Physics · Physics 2010-07-15 Andrew X. Li , Manja Marz , Jing Qin , Christian M. Reidys

Inspired by the human brain's ability to adapt to new tasks without erasing prior knowledge, we develop spiking neural networks (SNNs) with dynamic structures for Class Incremental Learning (CIL). Our comparative experiments reveal that…

Computer Vision and Pattern Recognition · Computer Science 2024-12-18 Wenyao Ni , Jiangrong Shen , Qi Xu , Huajin Tang

Background:Prediction of protein three-dimensional structures from amino acid sequences is a long-standing goal in computational/molecular biology. The successful discrimination of protein folds would help to improve the accuracy of protein…

Biomolecules · Quantitative Biology 2007-05-23 Y-h. Taguchi , M. Michael Gromiha

Software logs generated by sophisticated network emulators in the telecommunications industry, such as VIAVI TM500, are extremely complex, often comprising tens of thousands of text lines with minimal resemblance to natural language. Only…

Computation and Language · Computer Science 2024-07-08 Achintha Ihalage , Sayed M. Taheri , Faris Muhammad , Hamed Al-Raweshidy

Pyrosequencing is among the emerging sequencing techniques, capable of generating upto 100,000 overlapping reads in a single run. This technique is much faster and cheaper than the existing state of the art sequencing technique such as…

Genomics · Quantitative Biology 2016-09-08 Fahad Saeed , Ashfaq Khokhar , Osvaldo Zagordi , Niko Beerenwinkel

Accurate pancreas segmentation is critical for early cancer diagnosis, where annotation scarcity necessitates Semi-Supervised Learning (SSL). However, due to significant inter-sample morphological variability, existing SSL methods face…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Yuqi Liu , Yufei Chen , Wei Fu , Xiaodong Yue , Shuo Li

Accurately assigning folds for divergent protein sequences is a major obstacle to structural studies and underlies the inverse protein folding problem. Herein, we outline our theories for fold-recognition in the "twilight-zone" of sequence…

Quantitative Methods · Quantitative Biology 2010-08-31 Yoojin Hong , Kyung Dae Ko , Gaurav Bhardwaj , Zhenhai Zhang , Damian B. van Rossum , Randen L. Patterson

Accurate forecasting of long-term time series has important applications for decision making and planning. However, it remains challenging to capture the long-term dependencies in time series data. To better extract long-term dependencies,…

Machine Learning · Computer Science 2024-05-15 Feifei Li , Suhan Guo , Feng Han , Jian Zhao , Furao Shen