Machine Learning in Protein Science De Novo Design of Site-Specific Protein Binders Using Surface Fingerprints

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Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Intelligent prediction framework for axial compressive capacity of FRP-RACFST columns

Lei Xu

Fiber reinforced polymer confined-recycled aggregate concrete filled steel tube (FRP-RACFST) not only proposes excellent load-bearing capacity and corrosion resistance, but is also an environmentally friendly structure due to the incorporation of recycled ...

ELSEVIER2024

Data-driven models in fusion exhaust: AI methods and perspectives

Yoeri Renier Johannes Poels

A review is given on the highlights of a scatter-shot approach of developing machine-learning methods and artificial neural networks based fast predictors for the application to fusion exhaust. The aim is to enable and facilitate optimized and improved mod ...

IOP Publishing Ltd2024

Prediction rigidities for data-driven chemistry

Michele Ceriotti, Federico Grasselli, Philip Robin Loche, Matthias Linus Kellner, Sanggyu Chong, Filippo Bigi

The widespread application of machine learning (ML) to the chemical sciences is making it very important to understand how the ML models learn to correlate chemical structures with their properties, and what can be done to improve the training efficiency w ...

2024

Nissl_3, Raw images for Machine learning for histological annotation and quantification of cortical layers

Julie Meystre

This dataset contains images (TIFF image data) of brain juvenile rats Wistar Han (P14) scanned immunostained slides by using an automated slide scanner (Olympus, VS120-L100, GER) equipped with a UPLSAPO 20x/0.75 air objective (Olympus, GER) and a Pike F5 ...

Zenodo2024

Eye-Rubbing Detection Using a Smartwatch: A Feasibility Study Demonstrated High Accuracy With Machine Learning

Alexandre Massoud Alahi, Tom Louis Mery

Purpose: In this work, we present a new machine learning method based on the transformer neural network to detect eye rubbing using a smartwatch in a real-life setting. In ophthalmology, the accurate detection and prevention of eye rubbing could reduce inc ...

2024

Scalable semantic 3D mapping of coral reefs with deep learning

Anders Meibom, Devis Tuia, Guilhem Maurice Louis Banc-Prandi, Jonathan Paul Sauder

Coral reefs are among the most diverse ecosystems on our planet, and essential to the livelihood of hundreds of millions of people who depend on them for food security, income from tourism and coastal protection. Unfortunately, most coral reefs are existen ...

2024

Beyond Essentials: Nuanced and Diverse Text-to-video Retrieval

Yuchen Yang

The field of text-to-video retrieval has advanced significantly with the evolution of language models and large-scale pre-training on generated caption-video pairs. Current methods predominantly focus on visual and event-based details, making retrieval lar ...

Institute of Electrical and Electronics Engineers Inc.2024

Surface segregation in high-entropy alloys from alchemical machine learning

Michele Ceriotti, Sandip De, Guillaume André Jean Fraux, Arslan Mazitov, Nataliya Lopanitsyna

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

Iop Publishing Ltd2024

Nissl_4, Raw images for Machine learning for histological annotation and quantification of cortical layers

Julie Meystre

This dataset contains some images (TIFF image data) of brain juvenile rats Wistar Han (P14) scanned immunostained slides by using an automated slide scanner (Olympus, VS120-L100, GER) equipped with a UPLSAPO 20x/0.75 air objective (Olympus, GER) and a Pi ...

Zenodo2024

Live-cell imaging powered by computation

Suliana Manley

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Nature Portfolio2024

Emergent coherent modes in nonlinear magnonic waveguides detected at ultrahigh frequency resolution

Dirk Grundler, Andrea Mucchietto, Mingran Xu, Kyongmo An

Raw data and Python code for the manuscript "Emergent coherent modes in nonlinear magnonic waveguides detected at ultrahigh frequency resolution". All data files and source code are provided in a zip file. .ipynb file is a python jupyter notebook file whi ...

Zenodo2024