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MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Distillation transfers knowledge from a large model trained on broad data to a smaller, more efficient model suitable for deployment. In structured prediction settings, prior knowledge about the task can guide the choice of a target…

Machine Learning · Computer Science 2026-05-20 Thien Le , Melanie Weber

Reference-guided DNA sequencing and alignment is an important process in computational molecular biology. The amount of DNA data grows very fast, and many new genomes are waiting to be sequenced while millions of private genomes need to be…

Matrix decomposition is one of the fundamental tools to discover knowledge from big data generated by modern applications. However, it is still inefficient or infeasible to process very big data using such a method in a single machine.…

Machine Learning · Computer Science 2020-02-11 Chihao Zhang , Yang Yang , Wei Zhang , Shihua Zhang

When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously-collected spectra to identify the molecule. While popular, this…

Chemical Physics · Physics 2019-05-07 Jennifer N. Wei , David Belanger , Ryan P. Adams , D. Sculley

Large pre-trained DNA language models such as DNABERT-2, Nucleotide Transformer, and HyenaDNA have demonstrated strong performance on various genomic benchmarks. However, most applications rely on expensive fine-tuning, which works best…

Genomics · Quantitative Biology 2025-08-08 Nirjhor Datta , Swakkhar Shatabda , M Sohel Rahman

Heterogeneous treatment effect estimation in high-stakes applications demands models that simultaneously optimize precision, interpretability, and calibration. Many existing tree-based causal inference techniques, however, exhibit high…

Machine Learning · Computer Science 2025-04-21 Yichen Liu

Nowadays, Breast cancer has risen to become one of the most prominent causes of death in recent years. Among all malignancies, this is the most frequent and the major cause of death for women globally. Manually diagnosing this disease…

Machine Learning · Computer Science 2022-07-01 Taminul Islam , Arindom Kundu , Nazmul Islam Khan , Choyon Chandra Bonik , Flora Akter , Md Jihadul Islam

Data compression plays an important role to deal with high volumes of DNA sequences in the field of Bioinformatics. Again data compression techniques directly affect the alignment of DNA sequences. So the time needed to decompress a…

Computational Engineering, Finance, and Science · Computer Science 2012-11-13 Subhankar Roy , Sunirmal Khatua , Sudipta Roy , Samir K. Bandyopadhyay

The main focus of image mining in the proposed method is concerned with the classification of brain tumor in the CT scan brain images. The major steps involved in the system are: pre-processing, feature extraction, association rule mining…

Computer Vision and Pattern Recognition · Computer Science 2010-03-25 P. Rajendran , M. Madheswaran

Accurate prediction of grape phenology is essential for timely vineyard management decisions, such as scheduling irrigation and fertilization, to maximize crop yield and quality. While traditional biophysical models calibrated on historical…

Machine Learning · Computer Science 2025-08-07 William Solow , Sandhya Saisubramanian

DNA-encoded small molecule libraries (DELs) have enabled discovery of novel inhibitors for many distinct protein targets of therapeutic value through screening of libraries with up to billions of unique small molecules. We demonstrate a new…

Metagenomics characterizes the taxonomic diversity of microbial communities by sequencing DNA directly from an environmental sample. One of the main challenges in metagenomics data analysis is the binning step, where each sequenced read is…

Quantitative Methods · Quantitative Biology 2015-05-27 Kévin Vervier , Pierre Mahé , Maud Tournoud , Jean-Baptiste Veyrieras , Jean-Philippe Vert

To improve patient survival and treatment outcomes, early diagnosis of brain tumors is an essential task. It is a difficult task to evaluate the magnetic resonance imaging (MRI) images manually. Thus, there is a need for digital methods for…

Computer Vision and Pattern Recognition · Computer Science 2021-01-05 Ginni Garg , Ritu Garg

We propose the online machine learning for big data analysis with heterogeneity. We performed an experiment to compare the accuracy of each iteration between batch one and online one. It is possible to converge quickly with the same…

Machine Learning · Computer Science 2019-06-20 Kazuki Seshimo , Ota Akira , Nishio Daichi , Yamane Satoshi

It involves the completely novel ways of integrating ML algorithms with traditional statistical modelling that has changed the way we analyze data, do predictive analytics or make decisions in the fields of the data. In this paper, we study…

This report explores the application of machine learning techniques on short timeseries gene expression data. Although standard machine learning algorithms work well on longer time-series', they often fail to find meaningful insights from…

Genomics · Quantitative Biology 2021-11-17 Akankshita Dash

Optimizing a neural network's performance is a tedious and time taking process, this iterative process does not have any defined solution which can work for all the problems. Optimization can be roughly categorized into - Architecture and…

Machine Learning · Computer Science 2019-12-16 Siddhartha Dhar Choudhury , Shashank Pandey , Kunal Mehrotra

Rapid sequencing of individual human genome is prerequisite to genomic medicine, where diseases will be prevented by preemptive cures. Quantum-mechanical tunneling through single-stranded DNA in a solid-state nanopore has been proposed for…

Enzyme mining is rapidly evolving as a data-driven strategy to identify biocatalysts with tailored functions from the vast landscape of uncharacterized proteins. The integration of machine learning into these workflows enables…

Biomolecules · Quantitative Biology 2025-07-11 Yanzi Zhang , Felix Moorhoff , Sizhe Qiu , Wenjuan Dong , David Medina-Ortiz , Jing Zhao , Mehdi D. Davari