Publications related to The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry

Related publications (53)

Mspo: a Machine Learning Hyperparameter Optimization Method for Enhanced Breast Cancer Image Classification

As one of the major threats to women's health worldwide, breast cancer requires early diagnosis and accurate classification, since they are key to optimizing therapeutic interventions and ensuring precise prognosis. Recently, deep learning has demonstrated ...

SAGE PUBLICATIONS LTD2025

Robust machine learning for neuroscientific inference

Steffen Schneider

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 ...

EPFL2024

Eflop: a Sparsity-aware Metric for Evaluating Computational Cost in Spiking and Non-spiking Neural Networks

Liza Carol Andrea Dunbar

Deploying energy-efficient deep neural networks on energy-constrained edge devices is an important research topic in both machine learning and circuit design communities. Both artificial neural networks (ANNs) and spiking neural networks (SNNs) have been p ...

IOP Publishing Ltd2025

A phase transition between positional and semantic learning in a solvable model of dot-product attention

Lenka Zdeborová, Florent Gérard Krzakala, Hugo Chao Cui, Freya Behrens

Many empirical studies have provided evidence for the emergence of algorithmic mechanisms (abilities) in the learning of language models, that lead to qualitative improvements in the model capabilities. Yet, a theoretical characterization of how such mecha ...

2025

Domain shift, domain adaptation, and generalization: A focus on MRI

Tobias Kober, Meritxell Bach Cuadra, Veronica Lily Ravano, Jonas Richiardi

Differences in acquisition protocols or hardware result in measurable changes in image characteristics. These differences affect distributional properties and can also affect the spatial and temporal characteristics of the images. Likewise, the distributio ...

Academic Press2025

Few-shot Learning for Efficient and Effective Machine Learning Model Adaptation

Arnout Jan J Devos

Machine learning (ML) enables artificial intelligent (AI) agents to learn autonomously from data obtained from their environment to perform tasks. Modern ML systems have proven to be extremely effective, reaching or even exceeding human intelligence. Altho ...

EPFL2024

Interact with Earth Observation Images using AI: Transparent Methods and Evaluation for Visual Question Answering

Christel Marie Tartini-Chappuis

Now is an exciting time for the domain of Earth observation (EO), with a multitude of diverse sensors looking at the planet from satellites, airplanes or drones. The volume of imagery acquired is massive, and hold great potential for a variety of applicati ...

EPFL2025

Federated learning with uncertainty-based client clustering for fleet-wide fault diagnosis

Olga Fink, Hao Lu

Operators from various industries have been pushing the adoption of wireless sensing nodes for industrial monitoring, and such efforts have produced sizeable condition monitoring datasets that can be used to build diagnosis algorithms capable of warning ma ...

2024

Posterior-Based Analysis of Spatio-Temporal Features for Sign Language Assessment

Neha Tarigopula

Sign Language conveys information through multiple channels composed of manual (handshape, hand movement) and non-manual (facial expression, mouthing, body posture) components. Sign language assessment involves giving granular feedback to a learner, in ter ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2025

Resource-Efficient Continual Learning for Personalized Online Seizure Detection

Amirhossein Shahbazinia, David Atienza Alonso, Giovanni Ansaloni, Flavio Ponzina, José Angel Miranda Calero, Jonathan Dan

Epilepsy, a major neurological disease, requires careful diagnosis and treatment. However, the detection of epileptic seizures remains a significant challenge. Current clinical practice relies on expert analysis of EEG signals, a process that is time-consu ...

IEEE2024

Machine-learning-empowered FDTD/FEM simulations for predictive solar energy absorption in plasmonic metamaterial nanocavity arrays

Amir Jafargholi

FDTD/FEM simulations, strengthened by machine learning, achieve 95.44% optical absorption efficiency in TiO 2 /TiN plasmonic nanocavities for solar energy harvesting. ...

Royal Society of Chemistry (RSC)2025

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

DEMO: Dielectric elastomer actuators (DEAs) for the restoration of facial movements

Yves Perriard, Yoan René Cyrille Civet, Stefania Maria Aliki Konstantinidi, Simon Holzer, Andres Osorio Salazar, Marc Michel Charles Favier

Facial paralysis is a highly burdening condition, resulting in a patient's inability to move his musculature on one or both sides of the mouth. The restoration of facial movement is crucial for enhancing the overall patients' quality of life. The use of DE ...

SPIE2025

Data and scripts for the RaFSIP scheme

Athanasios Nenes, Paraskevi Georgakaki

This repository contains microphysics routines, scripts, and processed data from the Weather Research and Forecasting (WRF) model simulations presented in the paper "RaFSIP: Parameterizing ice multiplication in models using a machine learning approach", by ...

Zenodo2024

Self-supervised and few-shot learning for robust bioaerosol monitoring

Sophie Catherine Erb

Real-time bioaerosol monitoring is improving the quality of life for people affected by allergies, but it often relies on deep learning models which pose challenges for widespread adoption. These models are typically trained in a supervised fashion and req ...

2025

Predicting the long-term collective behaviour of fish pairs with deep learning

Francesco Mondada, Alexandre Massoud Alahi, Vaios Papaspyros

Modern computing has enhanced our understanding of how social interactions shape collective behaviour in animal societies. Although analytical models dominate in studying collective behaviour, this study introduces a deep learning model to assess social in ...

2024

Probing the latent hierarchical structure of data via diffusion models

Noam Itzhak Levi, Alessandro Favero, Antonio Sclocchi

High-dimensional data must be highly structured to be learnable. Although the compositional and hierarchical nature of data is often put forward to explain learnability, quantitative measurements establishing these properties are scarce. Likewise, accessin ...

2025

Reliable data-driven decision-making through optimal transport

Bahar Taskesen

Decision-making permeates every aspect of human and societal development, from individuals' daily choices to the complex decisions made by communities and institutions. Central to effective decision-making is the discipline of optimization, which seeks th ...

EPFL2024

Nanoindentation hardness and modulus of Al2O3-SiO2-CaO and MnO-SiO2-FeO inclusions in iron

Eva Luisa Vogt, Jonathan Aristya Setyadji, Andreas Mortensen, Léa Deillon, Alejandra Inés Slagter, David Hernandez Escobar

Dataset corresponding to the following manuscript: Slagter, A., Setyadji, J.A., Vogt, E.L. et al. Nanoindentation Hardness and Modulus of Al2O3–SiO2–CaO and MnO–SiO2–FeO Inclusions in Iron. Metall Mater Trans A (2024). https://doi.org/10.1007/s11661-024-0 ...

Zenodo2024

Learning to Assemble with Alternative Plans

Gabriel Rémi Vallat, Maryam Kamgarpour, Stefana Parascho, Ziqi Wang, Jingwen Wang

We present a reinforcement learning framework for constructing assemblies composed of rigid parts, which are commonly seen in many historical masonry buildings and bridges. Traditional construction methods for such structures often depend on dense scaffold ...

Association for Computing Machinery (ACM)2025