Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

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Throughout history, the pace of knowledge and information sharing has evolved into an unthinkable speed and media. At the end of the XVII century, in Europe, the ideas that would shape the "Age of Enlightenment" were slowly being developed in coffeehouses, ...

Dynamic aperture is an important concept for the study of non-linear beam dynamics in circular accelerators. It describes the extent of the phase-space region where a particle's motion remains bounded over a given number of turns. Understanding the feature ...

Modern neuroscience research is generating increasingly large datasets, from recording thousands of neurons over long timescales to behavioral recordings of animals spanning weeks, months, or even years. Despite a great variety in recording setups and expe ...

Topographical disorientation refers to the selective inability to orient oneself in familiar surroundings. However, to date its neural correlates remain poorly understood. Here we use quantitative lesion analysis and a lesion network mapping approach in or ...

Turning pass-through network architectures into iterative ones, which use their own output as input, is a well-known approach for boosting performance. In this paper, we argue that such architectures offer an additional benefit: The convergence rate of the ...

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 ...

Recently, cutting-edge brain-machine interfaces (BMIs) have revealed the potential of decoders such as recurrent neural networks (RNNs) in predicting attempted handwriting [1] or speech [2], enabling rapid communication recovery after paralysis. However, c ...

We present a finite elements-neural network approach for the numerical approximation of parametric partial differential equations. The algorithm generates training data from finite element simulations, and uses a data -driven (supervised) feedforward neura ...

Transformer models such as GPT generate human-like language and are predictive of human brain responses to language. Here, using functional-MRI-measured brain responses to 1,000 diverse sentences, we first show that a GPT-based encoding model can predict t ...

Many feedforward neural networks (NNs) generate continuous and piecewise-linear (CPWL) mappings. Specifically, they partition the input domain into regions on which the mapping is affine. The number of these so-called linear regions offers a natural metric ...

In this paper, we study sampling from a posterior derived from a neural network. We propose a new probabilistic model consisting of adding noise at every pre- and post-activation in the network, arguing that the resulting posterior can be sampled using an ...

Koopmans spectral functionals are a powerful extension of Kohn-Sham density-functional theory (DFT) that enables the prediction of spectral properties with state-of-the-art accuracy. The success of these functionals relies on capturing the effects of elect ...

The field of biometrics, and especially face recognition, has seen a wide-spread adoption the last few years, from access control on personal devices such as phones and laptops, to automated border controls such as in airports. The stakes are increasingly ...

The present work proposes a framework for nonlinear model order reduction based on a Graph Convolutional Autoencoder (GCA-ROM). In the reduced order modeling (ROM) context, one is interested in obtaining real -time and many-query evaluations of parametric ...

Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

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Machine Learning for Modeling Stock Returns

Optimizing Dynamic Aperture Studies with Active Learning

Robust machine learning for neuroscientific inference

The neural correlates of topographical disorientation-a lesion analysis study

Enabling Uncertainty Estimation in Iterative Neural Networks

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

33.3 MiBMI: A 192/512-Channel 2.46mm² Miniaturized Brain-Machine Interface Chipset Enabling 31-Class Brain-to-Text Conversion Through Distinctive Neural Codes

Error assessment of an adaptive finite elements-neural networks method for an elliptic parametric PDE

Driving and suppressing the human language network using large language models

On the number of regions of piecewise linear neural networks

Gibbs sampling the posterior of neural networks

Predicting electronic screening for fast Koopmans spectral functional calculations

Performing and Detecting Backdoor Attacks on Face Recognition Algorithms

A graph convolutional autoencoder approach to model order reduction for parametrized PDEs