A prediction rigidity formalism for low-cost uncertainties in trained neural networks

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Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity

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Chiral ligands are important components in asymmetric homogeneous catalysis, but their synthesis and screening can be both time-consuming and resource-intensive. Data-driven approaches, in contrast to screening procedures based on intuition, have the poten ...

Amer Chemical Soc2024

Stripping the Swiss discount curve using kernel ridge regression

Nicolas Etienne Camenzind, Damir Filipovic

We analyze and implement the kernel ridge regression (KR) method developed in Filipovic et al. (Stripping the discount curve-a robust machine learning approach. Swiss Finance Institute Research Paper No. 22-24. SSRN. https://ssrn.com/abstract=4058150, 2022 ...

Springer Heidelberg2024

Unravelling the components of diffuse scattering using deep learning

Lucas Sebastian Powell-Rudden

Many technologically important material properties are underpinned by disorder and short-range structural correlations; therefore, elucidating structure-property relationships in functional materials requires understanding both the average and the local st ...

Int Union Crystallography2024

Morse theoretic signal compression and reconstruction on chain complexes

Kelly Spry Maggs, Celia Camille Hacker, Stefania Ebli

At the intersection of Topological Data Analysis (TDA) and machine learning, the field of cellular signal processing has advanced rapidly in recent years. In this context, each signal on the cells of a complex is processed using the combinatorial Laplacian ...

2024

FVLLMONTI: The 3D Neural Network Compute Cube (N2C2) Concept for Efficient Transformer Architectures Towards Speech-to-Speech Translation

David Atienza Alonso, Giovanni Ansaloni, Alireza Amirshahi

This multi-partner-project contribution introduces the midway results of the Horizon 2020 FVLLMONTI project. In this project we develop a new and ultra-efficient class of ANN accelerators, the neural network compute cube (N2C2), which is specifically desig ...

Institute of Electrical and Electronics Engineers Inc.2024

Machine Learning for Optical Motion Capture-Driven Musculoskeletal Modelling from Inertial Motion Capture Data

Rahul Sharma

Marker-based Optical Motion Capture (OMC) systems and associated musculoskeletal (MSK) modelling predictions offer non-invasively obtainable insights into muscle and joint loading at an in vivo level, aiding clinical decision-making. However, an OMC system ...

MDPI2023