Publications related to Accelerated chemical science with AI

Related publications (13)

Preface: Advancing deep learning for remote sensing time series data analysis

This special issue explores the burgeoning field of deep learning for remote sensing time series analysis. The 20 contributed papers showcase diverse applications, including land cover mapping, change detection, atmospheric and biophysical/biochemical para ...

2025

Intelligent RF System for Ultra Low Power Spectrum Sensing with Machine Learning

Naci Pekçokgüler

The crowdedness of the RF spectrum constitutes problems in communication, however it also accommodates large amount of useful information. This information can be used to determine existing signals and operating contexts. However, spectrum condition varies ...

EPFL2024

A gentle introduction to gradient-based optimization and variational inequalities for machine learning

Yatin Dandi

The rapid progress in machine learning in recent years has been based on a highly productive connection to gradient-based optimization. Further progress hinges in part on a shift in focus from pattern recognition to decision-making and multi-agent problems ...

2024

Fashioning Creative Expertise with Generative AI: Graphical Interfaces for GAN-Based Design Space Exploration Better Support Ideation Than Text Prompts for Diffusion Models

Pierre Dillenbourg, Tanja Christina Käser Jacober, Richard Lee Davis, Thiemo Wambsganss, Kevin Gonyop Kim, Wei Jiang

This paper investigates the potential impact of deep generative models on the work of creative professionals. We argue that current generative modeling tools lack critical features that would make them useful creativity support tools, and introduce our own ...

2024

What can be learnt with wide convolutional neural networks?

Matthieu Wyart, Alessandro Favero, Francesco Cagnetta

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, ...

2024

Collective relational inference for learning heterogeneous interactions

Olga Fink

Interacting systems are ubiquitous in nature and engineering, ranging from particle dynamics in physics to functionally connected brain regions. Revealing interaction laws is of fundamental importance but also particularly challenging due to underlying con ...

Nature Portfolio2024

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

Jan Sickmann Hesthaven, Federico Pichi

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 ...

Academic Press Inc Elsevier Science2024

SzCORE: Seizure Community Open-Source Research Evaluation framework for the validation of electroencephalography-based automated seizure detection algorithms

David Atienza Alonso, Una Pale, Alireza Amirshahi, Jonathan Dan, William Cappelletti

The need for high-quality automated seizure detection algorithms based on electroencephalography (EEG) becomes ever more pressing with the increasing use of ambulatory and long-term EEG monitoring. Heterogeneity in validation methods of these algorithms in ...

2024

σ-GPTs: A New Approach to Autoregressive Models

Evann Pierre Guy Courdier, Arnaud Pannatier

Autoregressive models, such as the GPT family, use a fixed order, usually left-to-right, to generate sequences. However, this is not a necessity. In this paper, we challenge this assumption and show that by simply adding a positional encoding for the outpu ...

Springer Nature2024

Fast and robust parameter estimation with uncertainty quantification for the cardiac function

Alfio Quarteroni

Background and objectives: Parameter estimation and uncertainty quantification are crucial in computa-tional cardiology, as they enable the construction of digital twins that faithfully replicate the behavior of physical patients. Many model parameters reg ...

ELSEVIER IRELAND LTD2023

Comparison of regression techniques for generating surrogate models to predict the thermodynamic behavior of biomass gasification systems

François Maréchal, Daniel Alexander Florez Orrego, Julia Granacher, Meire Ellen Gorete Ribeiro Domingos, Marie Jane Francine Jones

Biomass resources can play an important role in the energy transition, being a dynamic feedstock that can be transformed either into solid, liquid or gaseous fuels. The biomass gasification is a versatile way to convert wastes into energy. In this work, th ...

Elsevier2023

Decentralized Gan Training Through Diffusion Learning

Ali H. Sayed, Noé Stauffer

Most available studies on distributed GAN architectures focus on implementations with a fusion center. In this work, we propose a fully decentralized scheme by employing a diffusion strategy to train a network of GANs. We interpret the training procedure a ...

IEEE2022

Introducing Alternative Value Proposition Canvases for Collaborative and Blended Design Thinking Activities in Science and Engineering Education

Denis Gillet, Isabelle Barbara Marie-Hélène Cardia, Jérémy Alain La Scala-Jayet

The value proposition canvas introduced in 2015 by Pigneur et al. is broadly used by entrepreneurs and intrapreneurs to create new services and products. We decided to apply it for collaborative and blended design thinking activities in a specialization in ...

IEEE2022