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DNA sequences encode critical genetic information, yet their variable length and discrete nature impede direct utilization in deep learning models. Existing DNA representation schemes convert sequences into numerical vectors but fail to…

Genomics · Quantitative Biology 2025-12-16 Zhiyuan Peng , Naifan Zhang , Yuanbo Tang , Yang Li

Accurately predicting gene expression from histopathology images offers a scalable and non-invasive approach to molecular profiling, with significant implications for precision medicine and computational pathology. However, existing methods…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Yaxuan Song , Jianan Fan , Hang Chang , Weidong Cai

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

With the proliferation of increasingly complicated Deep Learning architectures, data synthesis is a highly promising technique to address the demand of data-hungry models. However, reliably assessing the quality of a 'synthesiser' model's…

Machine Learning · Computer Science 2025-05-05 Julia A. Meister , Khuong An Nguyen

Epigenome modulation in response to the environment potentially provides a mechanism for organisms to adapt, both within and between generations. However, neither the extent to which this occurs, nor the molecular mechanisms involved are…

Morphological profiling is a valuable tool in phenotypic drug discovery. The advent of high-throughput automated imaging has enabled the capturing of a wide range of morphological features of cells or organisms in response to perturbations…

We developed two machine learning frameworks that could assist in automated litho-stratigraphic interpretation of seismic volumes without any manual hand labeling from an experienced seismic interpreter. The first framework is an…

Geophysics · Physics 2021-08-24 Oluwaseun Joseph Aribido , Ghassan AlRegib , Yazeed Alaudah

Cell lineage decisions occur in three-dimensional spatial patterns that are difficult to identify by eye. There is an ongoing effort to replicate such patterns using mathematical modeling. One approach uses long ranging cell-cell…

Cell Behavior · Quantitative Biology 2022-12-21 Robin Dirk , Jonas L. Fischer , Simon Schardt , Markus J. Ankenbrand , Sabine C. Fischer

Deep neural networks are representation learning techniques. During training, a deep net is capable of generating a descriptive language of unprecedented size and detail in machine learning. Extracting the descriptive language coded within…

Neural and Evolutionary Computing · Computer Science 2018-01-30 Dario Garcia-Gasulla , Ferran Parés , Armand Vilalta , Jonatan Moreno , Eduard Ayguadé , Jesús Labarta , Ulises Cortés , Toyotaro Suzumura

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

We applied machine learning to predict whether a gene is involved in axon regeneration. We extracted 31 features from different databases and trained five machine learning models. Our optimal model, a Random Forest Classifier with 50…

Machine Learning · Computer Science 2019-09-27 Haoze Wu , Yangyu Zhou

Protein engineering seeks to identify protein sequences with optimized properties. When guided by machine learning, protein sequence generation methods can draw on prior knowledge and experimental efforts to improve this process. In this…

Quantitative Methods · Quantitative Biology 2021-05-28 Zachary Wu , Kadina E. Johnston , Frances H. Arnold , Kevin K. Yang

Process refinement to consistently produce high-quality material over a large area of the grown crystal, enabling various applications from optics crystals to quantum detectors, has long been a goal for diamond growth. Machine learning…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Rohan Reddy Mekala , Elias Garratt , Matthias Muehle , Arjun Srinivasan , Adam Porter , Mikael Lindvall

The predictive accuracy of Machine Learning (ML) models of molecular properties depends on the choice of the molecular representation. Based on the postulates of quantum mechanics, we introduce a hierarchy of representations which meet…

Chemical Physics · Physics 2016-11-23 Bing Huang , O. Anatole von Lilienfeld

The research community continues to seek increasingly more advanced synthetic data generators to reliably evaluate the strengths and limitations of machine learning methods. This work aims to increase the availability of datasets…

Machine Learning · Computer Science 2026-01-30 Joanna Komorniczak

This paper investigates methods for improving generative data augmentation for deep learning. Generative data augmentation leverages the synthetic samples produced by generative models as an additional dataset for classification with small…

Machine Learning · Computer Science 2023-10-24 Shin'ya Yamaguchi , Daiki Chijiwa , Sekitoshi Kanai , Atsutoshi Kumagai , Hisashi Kashima

AutoClustering methods aim to automate unsupervised learning tasks, including algorithm selection (AS), hyperparameter optimization (HPO), and pipeline synthesis (PS), by often leveraging meta-learning over dataset meta-features. While…

Machine Learning · Computer Science 2026-02-23 Matheus Camilo da Silva , Leonardo Arrighi , Ana Carolina Lorena , Sylvio Barbon Junior

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind…

Machine Learning · Computer Science 2014-04-24 Yoshua Bengio , Aaron Courville , Pascal Vincent

Background: State-of-the art selection methods fail to identify weak but cumulative effects of features found in many high-dimensional omics datasets. Nevertheless, these features play an important role in certain diseases. Results: We…

Toxicity evaluation of chemical compounds has traditionally relied on animal experiments;however, the demand for non-animal-based prediction methods for toxicology of compounds is increasing worldwide. Our aim was to provide a…

Applications · Statistics 2023-02-06 Jun-ichi Takeshita , Akinobu Toyoda , Hidenori Tani , Yasunori Endo , Sadaaki Miyamoto