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

Publications associées (35)

OPTIMAL TRANSPORT-INSPIRED DEEP LEARNING FRAMEWORK FOR SLOW-DECAYING KOLMOGOROV \bfitn-WIDTH PROBLEMS: EXPLOITING SINKHORN LOSS AND WASSERSTEIN KERNEL

Reduced-order models (ROMs) are widely used in scientific computing to tackle high-dimensional systems. However, traditional ROM methods may only partially capture the intrinsic geometric characteristics of the data. These characteristics encompass the und ...

2025

Gradient Approximation of Approximate Multipliers for High-Accuracy Deep Neural Network Retraining

Giovanni De Micheli, Chang Meng

Approximate multipliers (AppMults) are widely employed in deep neural network (DNN) accelerators to reduce the area, delay, and power consumption. However, the inaccuracies of AppMults degrade DNN accuracy, necessitating a retraining process to recover acc ...

Institute of Electrical and Electronics Engineers2025

High-dimensional learning of narrow neural networks

Hugo Chao Cui

Recent years have been marked with the fast-pace diversification and increasing ubiquity of machine learning (ML) applications. Yet, a firm theoretical understanding of the surprising efficiency of neural networks (NNs) to learn from high-dimensional data ...

2025

Task-driven neural network models predict neural dynamics of proprioception: Experimental data, activations and predictions of neural network models

Alexander Mathis, Alberto Silvio Chiappa, Alessandro Marin Vargas, Axel Bisi

Here we provide the neural data, activation and predictions for the best models and result dataframes of our article "Task-driven neural network models predict neural dynamics of proprioception". It contains the behavioral and neural experimental data (cu ...

EPFL Infoscience2024

Random matrix methods for high-dimensional machine learning models

Antoine Philippe Michel Bodin

In the rapidly evolving landscape of machine learning research, neural networks stand out with their ever-expanding number of parameters and reliance on increasingly large datasets. The financial cost and computational resources required for the training p ...

EPFL2024

Task-driven neural network models predict neural dynamics of proprioception: Neural network model weights

Alexander Mathis, Alberto Silvio Chiappa, Alessandro Marin Vargas, Axel Bisi

Proprioception tells the brain the state of the body based on distributed sensors in the body. However, the principles that govern proprioceptive processing from those distributed sensors are poorly understood. Here, we employ a task-driven neural network ...

Zenodo2024

Deep Learning Theory Through the Lens of Diagonal Linear Networks

Scott William Pesme

In this PhD manuscript, we explore optimisation phenomena which occur in complex neural networks through the lens of

2

-layer diagonal linear networks. This rudimentary architecture, which consists of a two layer feedforward linear network with a diagonal ...

EPFL2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Improving Lipschitz-Constrained Neural Networks by Learning Activation Functions

Michaël Unser, Dimitris Perdios, Alexis Marie Frederic Goujon, Pakshal Narendra Bohra, Sebastian Jonas Neumayer, Stanislas Ducotterd

Lipschitz-constrained neural networks have several advantages over unconstrained ones and can be applied to a variety of problems, making them a topic of attention in the deep learning community. Unfortunately, it has been shown both theoretically and empi ...

2024

Infusing structured knowledge priors in neural models for sample-efficient symbolic reasoning

Mattia Atzeni

The ability to reason, plan and solve highly abstract problems is a hallmark of human intelligence. Recent advancements in artificial intelligence, propelled by deep neural networks, have revolutionized disciplines like computer vision and natural language ...

EPFL2024

Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis

Paolo Pegolo

We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo theory of linear response and Bayesian regression analysis. By exploiting the ...

Amer Chemical Soc2024

Deep learning approach for identification of H II regions during reionization in 21-cm observations - II. Foreground contamination

Jean-Paul Richard Kneib, Emma Elizabeth Tolley, Michele Bianco, Tianyue Chen

The upcoming Square Kilometre Array Observatory will produce images of neutral hydrogen distribution during the epoch of reionization by observing the corresponding 21-cm signal. However, the 21-cm signal will be subject to instrumental limitations such as ...

Oxford Univ Press2024

Generalization of Scaled Deep ResNets in the Mean-Field Regime

Volkan Cevher, Grigorios Chrysos, Fanghui Liu

Despite the widespread empirical success of ResNet, the generalization properties of deep ResNet are rarely explored beyond the lazy training regime. In this work, we investigate scaled ResNet in the limit of infinitely deep and wide neural networks, of wh ...

2024

Fast adaptation to rule switching using neuronal surprise

Wulfram Gerstner, Martin Louis Lucien Rémy Barry

In humans and animals, surprise is a physiological reaction to an unexpected event, but how surprise can be linked to plausible models of neuronal activity is an open problem. We propose a self-supervised spiking neural network model where a surprise signa ...

2024

Wigner kernels: Body-ordered equivariant machine learning without a basis

Michele Ceriotti, Sergey Pozdnyakov, Filippo Bigi

Machine-learning models based on a point-cloud representation of a physical object are ubiquitous in scientific applications and particularly well-suited to the atomic-scale description of molecules and materials. Among the many different approaches that h ...

AIP Publishing2024

Reduced Training Data for Laser Ultrasound Signal Interpretation by Neural Networks

Romain Christophe Rémy Fleury, Janez Rus

The performance of machine learning algorithms is conditioned by the availability of training datasets, which is especially true for the field of nondestructive evaluation. Here we propose one reconfigurable specimen instead of numerous reference specimens ...

2024

Thermal transport of glasses via machine learning driven simulations

Federico Grasselli, Paolo Pegolo

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...

Frontiers Media Sa2024

Statistical Inference for Inverse Problems: From Sparsity-Based Methods to Neural Networks

Pakshal Narendra Bohra

In inverse problems, the task is to reconstruct an unknown signal from its possibly noise-corrupted measurements. Penalized-likelihood-based estimation and Bayesian estimation are two powerful statistical paradigms for the resolution of such problems. They ...

EPFL2024

Safe Deep Neural Networks

Kyle Michael Matoba

The capabilities of deep learning systems have advanced much faster than our ability to understand them. Whilst the gains from deep neural networks (DNNs) are significant, they are accompanied by a growing risk and gravity of a bad outcome. This is troubli ...

EPFL2024

Mitigating Object Dependencies: Improving Point Cloud Self-Supervised Learning through Object Exchange

Sabine Süsstrunk, Mathieu Salzmann, Tong Zhang

In the realm of point cloud scene understanding, particularly in indoor scenes, objects are arranged following human habits, resulting in objects of certain semantics being closely positioned and displaying notable inter-object correlations. This can creat ...

2024