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Machine learning, notably deep learning, has significantly propelled molecular investigations within the biochemical sphere. Traditionally, modeling for such research has centered around a handful of paradigms. For instance, the prediction…

Machine Learning · Computer Science 2023-09-06 Yin Fang , Zhuo Chen , Xiaohui Fan , Ningyu Zhang

Modern life sciences research is increasingly relying on artificial intelligence approaches to model biological systems, primarily centered around the use of machine learning (ML) models. Although ML is undeniably useful for identifying…

Deep Learning has shown great success in reshaping medical imaging, yet it faces numerous challenges hindering widespread application. Issues like catastrophic forgetting and distribution shifts in the continuously evolving data stream…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Mohammad Areeb Qazi , Anees Ur Rehman Hashmi , Santosh Sanjeev , Ibrahim Almakky , Numan Saeed , Camila Gonzalez , Mohammad Yaqub

Histopathological images contain rich phenotypic information that can be used to monitor underlying mechanisms contributing to diseases progression and patient survival outcomes. Recently, deep learning has become the mainstream…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Chetan L. Srinidhi , Ozan Ciga , Anne L. Martel

Bioinformatics research is characterized by voluminous and incremental datasets and complex data analytics methods. The machine learning methods used in bioinformatics are iterative and parallel. These methods can be scaled to handle big…

Computational Engineering, Finance, and Science · Computer Science 2015-06-17 Hirak Kashyap , Hasin Afzal Ahmed , Nazrul Hoque , Swarup Roy , Dhruba Kumar Bhattacharyya

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret…

Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to create valuable new molecular entities, from small molecule…

Inclusion of high throughput technologies in the field of biology has generated massive amounts of biological data in the recent years. Now, transforming these huge volumes of data into knowledge is the primary challenge in computational…

Machine Learning · Computer Science 2021-12-06 Dibyendu Ghosh , Srija Chakraborty , Hariprasad Kodamana , Supriya Chakraborty

The applicability of computational models to the biological world is an active topic of debate. We argue that a useful path forward results from abandoning hard boundaries between categories and adopting an observer-dependent, pragmatic…

Multiagent Systems · Computer Science 2022-12-22 Joshua Bongard , Michael Levin

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Today, deep learning represents the most popular and successful form of machine learning. Deep learning has revolutionised the field of pattern recognition, including biometric recognition. Biometric systems utilising deep learning have…

Computer Vision and Pattern Recognition · Computer Science 2023-03-07 Christian Rathgeb , Jascha Kolberg , Andreas Uhl , Christoph Busch

Single-cell technologies are revolutionizing the entire field of biology. The large volumes of data generated by single-cell technologies are high-dimensional, sparse, heterogeneous, and have complicated dependency structures, making…

The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning,…

Machine Learning · Statistics 2018-08-15 Garrett B. Goh , Nathan O. Hodas , Abhinav Vishnu

The deep learning revolution is touching all scientific disciplines and corners of our lives as a means of harnessing the power of big data. Marine ecology is no exception. These new methods provide analysis of data from sensors, cameras,…

With the advancements in computer technology, there is a rapid development of intelligent systems to understand the complex relationships in data to make predictions and classifications. Artificail Intelligence based framework is rapidly…

Machine Learning · Computer Science 2021-07-30 G Jignesh Chowdary , Suganya G , Premalatha M , Asnath Victy Phamila Y , Karunamurthy K

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…

Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as well, where machine learning offers promises of extracting…

Through digital imaging, microscopy has evolved from primarily being a means for visual observation of life at the micro- and nano-scale, to a quantitative tool with ever-increasing resolution and throughput. Artificial intelligence, deep…