Publications related to Inherent Structural Descriptors Via Machine Learning

Related publications (20)

Programming Light Propagation for Efficient Artificial Intelligence

Contemporary artificial intelligence (AI) models' exponentially growing complexity translates to their expanding skill sets. They can create language or image content mimicking human creativity and understanding, becoming indispensable tools in education, ...

EPFL2025

From Preprocessing to Evaluation: The Role of External Knowledge in Advancing Language Models and Machine Translation

Georgios Vernikos

Machine translation (MT) systems and language models (LMs) have demonstrated impressive performance in recent years, driven by advances in architecture, algorithms, and the scaling of parameters and training data. Despite the ability of these models to int ...

EPFL2025

Bayes-optimal learning of deep random networks of extensive-width*

Lenka Zdeborová, Florent Gérard Krzakala, Hugo Chao Cui

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width ...

IOP Publishing Ltd2025

Scaling the Modalities in Multimodal Foundation Models

Oguzhan Fatih Kar

Having a single neural network to handle a wide and varied range of tasks and modalities has been a long-standing goal. Such a model brings notable advantages, such as test-time computational efficiency, modality fusion, and reduced model size. Our goal in ...

EPFL2025

Data-driven dynamic friction models based on Recurrent Neural Networks

Gaëtan Bixente Cortes, Antonio Joaquin Garcia Suarez

In this concise contribution, it is demonstrated that Recurrent Neural Networks (RNNs) based on Gated Recurrent Unit (GRU) architecture, possess the capability to learn the complex dynamics of rate-and-state friction (RSF) laws from synthetic data. The dat ...

2025

Towards Integrated Processing of Physiological Signals and Speech

Zohreh Mostaani

Research in speech processing has largely focused on source-system modeling, where vocal fold vibrations serve as the source and the vocal cavity's articulations as the system. Nonetheless, speech production includes a complex combination of physiological ...

EPFL2025

Deep learning for enhancement of low-resolution and noisy scanning probe microscopy images

Georg Fantner, Marcos Penedo Garcia

In this study, we employed traditional methods and deep learning models to improve resolution and quality of low-resolution AFM images made under standard ambient scanning. Both traditional methods and deep learning models were benchmarked and quantified r ...

Beilstein Institut2025

LIU-NET: lightweight Inception U-Net for efficient brain tumor segmentation from multimodal 3D MRI images

Zaffar Ahmed Shaikh

Segmenting brain tumors is a critical task in medical imaging that relies on advanced deep-learning methods. However, effectively handling complex tumor regions requires more comprehensive and advanced strategies to overcome challenges such as computationa ...

2025

Optical Processors for AI Computing and Networking

Mustafa Yildirim

Computing has long been central to technological advancements, where each leap in compute power has catalyzed applications once thought impossible, such as smartphones. Recently, the exponential growth in the compute demand of artificial intelligence (AI) ...

EPFL2025

On the Effect of Initialization: The Scaling Path of 2-Layer Neural Networks

Michaël Unser, Sebastian Jonas Neumayer, Lénaïc Chizat

In supervised learning, the regularization path is sometimes used as a convenient theoretical proxy for the optimization path of gradient descent initialized from zero. In this paper, we study a modification of the regularization path for infinite-width 2- ...

2024

Coarse grain modelling of DNA self-assembly over multiple scales

Vincenzo Caroprese

The integration of DNA into bottom-up nanotechnology has catalyzed a revolution in achieving nanometric precision through self-assembly. This leap forward is instrumental in broadening the horizons for constructing at the nanoscale, harnessing the predicta ...

EPFL2024

De novo protein design by inversion of the AlphaFold structure prediction network

Benedict Dieter Gregor Wolf, Bruno Emanuel Ferreira De Sousa Correia, Stéphane Rosset, Casper Alexander Goverde, Hamed Khakzad

De novo protein design enhances our understanding of the principles that govern protein folding and interactions, and has the potential to revolutionize biotechnology through the engineering of novel protein functionalities. Despite recent progress in comp ...

2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

David Daniel Girardier, Fabio Pietrucci, Sara Bonella

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Universal Approximation Property of Hamiltonian Deep Neural Networks

Giancarlo Ferrari Trecate, Muhammad Zakwan

This letter investigates the universal approximation capabilities of Hamiltonian Deep Neural Networks (HDNNs) that arise from the discretization of Hamiltonian Neural Ordinary Differential Equations. Recently, it has been shown that HDNNs enjoy, by design, ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Action Levers towards Sustainable Wellbeing: Re-Thinking Negative Emissions, Sufficiency, Deliberative Democracy

Sascha Nick

Systems theory defines leverage points as places to intervene in order to change a system. Points with high impact on system behavior are notoriously hard to act upon, and indeed most policy intervention is based at the lowest level (#12 in Donella Meadows ...

EPFL2023

Financial Risk Management with Machine Learning

Marc-Aurèle Antoine Divernois

This thesis consists of three applications of machine learning techniques to risk management. The first chapter proposes a deep learning approach to estimate physical forward default intensities of companies. Default probabilities are computed using artifi ...

EPFL2022

Non-Linear Behaviors In The Dynamics Of Complex Systems Through A Multifractal Hydrodynamic Model

Maria-Alexandra Paun

Some non-linear behaviors in the dynamics of complex systems using the Scale Relativity Theory in the form of Multifractal Hydrodynamic Model are analyzed. By assimilating any complex system to a mathematical multifractal-type object, it is shown that the ...

UNIV POLITEHNICA BUCHAREST, SCI BULL2022

Planted XY model: Thermodynamics and inference

Lenka Zdeborová, Guanhao Huang, Siyu Chen, Giovanni Piccioli

In this paper we study a fully connected planted spin glass named the planted XY model. Motivation for studying this system comes both from the spin glass field and the one of statistical inference where it models the angular synchronization problem. We de ...

2022

Molecular dynamics simulations of nucleation and phase transition in halide perovskites

Paramvir Ahlawat

Perovskite solar cells have emerged as the most promising cheaper photovoltaic technology. Besides solar cells, halide perovskites have a wide range of applications due to their remarkable optoelectronic properties. Starting from 3.8% in 2009, solar to the ...

EPFL2022

EMG Data Augmentation for Grasp Classification Using Generative Adversarial Networks

Silvestro Micera, Vincent Alexandre Mendez

Electromyography (EMG) has been used as an interface for the control of robotic hands for decades but with the improvement of embedded electronics and decoding algorithms, many applications are now envisaged by companies. Deep learning has shown the possib ...

IEEE2022