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Predicting the long-term collective behaviour of fish pairs with deep learning

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Multienzyme deep learning models improve peptide de novo sequencing by mass spectrometry proteomics

Hamed Khakzad

Author summaryIn recent years, the application of deep learning represented a breakthrough in the mass spectrometry (MS) field by improving the assignment of the correct sequence of amino acids from observable MS spectra without prior knowledge, also known ...

PUBLIC LIBRARY SCIENCE2023

Measuring bathymetry has always been a major scientific and technological challenge. In this work, we used a deep learning technique for inferring bathymetry from the depth-averaged velocity field. The training of the neural network is based on 5742 labora ...

2023

The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry

Daniel Probst

While the introduction of practical deep learning has driven progress across scientific fields, recent research highlighted that the requirement of deep learning for ever-increasing computational resources and data has potential negative impacts on the sci ...

2023

Limited availability of representative time-to-failure (TTF) trajectories either limits the performance of deep learning (DL)-based approaches on remaining useful life (RUL) prediction in practice or even precludes their application. Generating synthetic d ...

2023

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Deep learning models for learning analytics have become increasingly popular over the last few years; however, these approaches are still not widely adopted in real-world settings, likely due to a lack of trust and transparency. In this paper, we tackle th ...

2023

Research Publishing2023

Pure Isotropic Proton NMR Spectra in Solids using Deep Learning

David Lyndon Emsley, Daria Torodii, Pinelopi Moutzouri, Manuel Cordova, Bruno Simões de Almeida

The resolution of proton solid-state NMR spectra is usually limited by broadening arising from dipolar interactions between spins. Magic-angle spinning alleviates this broadening by inducing coherent averaging. However, even the highest spinning rates expe ...

WILEY-V C H VERLAG GMBH2023

Robust Estimation of the Microstructure of the Early Developing Brain Using Deep Learning

Meritxell Bach Cuadra, Hamza Kebiri

Diffusion Magnetic Resonance Imaging (dMRI) is a powerful non-invasive method for studying white matter tracts of the brain. However, accurate microstructure estimation with fiber orientation distribution (FOD) using existing computational methods requires ...

Springer2023

Aiming beyond slight increases in accuracy

Daniel Probst

Owing to the diminishing returns of deep learning and the focus on model accuracy, machine learning for chemistry might become an endeavour exclusive to well-funded institutions and industry. Extending the focus to model efficiency and interpretability wil ...

NATURE PORTFOLIO2023

Artificial intelligence for natural product drug discovery

Philippe Schwaller, Michael Alexander Skinnider, Florian Huber, Albert Hofstetter

Developments in computational omics technologies have provided new means to access the hidden diversity of natural products, unearthing new potential for drug discovery. In parallel, artificial intelligence approaches such as machine learning have led to e ...

Berlin2023