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

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Publications associées (53)

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Foundations of a New Learning Paradigm in AI Grounded in the Principles of Evolutionary Developmental Biology

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Contemporary AI faces important limitations that remain unresolved despite significant successes. Chief among these are the inability to acquire new knowledge without destroying old, the incomprehensible and nonengineerable nature of internal representatio ...

EPFL2025

Understanding generalization and robustness in modern deep learning

Maksym Andriushchenko

In this thesis, we study two closely related directions: robustness and generalization in modern deep learning. Deep learning models based on empirical risk minimization are known to be often non-robust to small, worst-case perturbations known as adversari ...

EPFL2024

How Gradient Descent Balances Features: A Dynamical Analysis For Two-Layer Neural Networks

Volkan Cevher, Fanghui Liu, Zhenyu Zhu

This paper investigates the fundamental regression task of learning k neurons (a.k.a. teachers) from Gaussian input, using two-layer ReLU neural networks with width m (a.k.a. students) and m, k = O(1), trained via gradient descent under proper initializati ...

2025

Data-driven statistical optimization of a groundwater monitoring network

Andrea Rinaldo

We propose a comparative study of three different methods aimed at optimizing existing groundwater monitoring networks. Monitoring piezometric heads in subsurface porous formations is crucial at regional scales to properly characterize the relevant subsurf ...

Elsevier2024

Towards Self-Supervised Covariance Estimation in Deep Heteroscedastic Regression

Mathieu Salzmann, Alexandre Massoud Alahi, Megh Hiren Shukla

Deep heteroscedastic regression models the mean and covariance of the target distribution through neural networks. The challenge arises from heteroscedasticity, which implies that the covariance is sample dependent and is often unknown. Consequently, recen ...

ICLR2025

Fusing Pre-existing Knowledge and Machine Learning for Enhanced Building Thermal Modeling and Control

Loris Di Natale

Buildings play a pivotal role in the ongoing worldwide energy transition, accounting for 30% of the global energy consumption. With traditional engineering solutions reaching their limits to tackle such large-scale problems, data-driven methods and Machine ...

EPFL2024

Simulating Interacting Quantum Systems with Near-Term Quantum Computers

Stefano Barison

In less than a century, electronic computers have become essential to everyday life and have transformed scientific research. Their use in solving scientific problems has integrated theoretical and experimental approaches, often blurring the lines between ...

EPFL2025

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

GraphFedAI framework for DDoS attack detection in IoT systems using federated learning and graph based artificial intelligence

Zaffar Ahmed Shaikh

The Internet of Things (IoT) consists of physical objects and devices embedded with network connectivity, software, and sensors to collect and transmit data. The development of the Internet of Things (IoT) has led to various security and privacy issues, in ...

2025

Performing and Detecting Backdoor Attacks on Face Recognition Algorithms

Alexander Carl Unnervik

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 ...

EPFL2024

Improving the accuracy and interpretability of neural networks for wind power forecasting

Fernando Porté Agel, Jiannong Fang, Wenlong Liao

Deep neural networks (DNNs) are receiving increasing attention in wind power forecasting due to their ability to effectively capture complex patterns in wind data. However, their forecast errors are severely limited by the local optimal weight issue in opt ...

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Dataset for '3D printing of customizable transient bioelectronics and sensors'

Danick Briand, Nicolas Francis Fumeaux

This data set contains the data collected during the FNS project Green Piezo (Grant no. 179064) in association with the recent publication entitled “3D printing of customizable transient bioelectronics and sensors”. This work aims to study and demonstrate ...

Zenodo2024

Integrating Physics and Topology in Neural Networks for Learning Rigid Body Dynamics

Amaury Pierre Jiezhi Wei, Olga Fink

Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for adaptable learnin ...

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Data set for control of Ge island coalescence for the formation of nanowires on silicon

Anna Fontcuberta i Morral, Alok Rudra, Santhanu Panikar Ramanandan, Joel René Sapera

This document contains all the data and the details of the analysis used in the manuscript titled " Control of Ge island coalescence for the formation of nanowires on silicon." https://doi.org/10.1039/D3NH00573A ...

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Using deep reinforcement learning to investigate stretch feedback during swimming of the lamprey

Auke Ijspeert, Astha Gupta

Animals have to navigate complex environments and perform intricate swimming maneuvers in the real world. To conquer these challenges, animals evolved a variety of motion control strategies. While it is known that many factors contribute to motion control, ...

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Fast and Future: Towards Efficient Forecasting in Video Semantic Segmentation

Evann Pierre Guy Courdier

Deep learning has revolutionized the field of computer vision, a success largely attributable to the growing size of models, datasets, and computational power. Simultaneously, a critical pain point arises as several computer vision applications are deploye ...

EPFL2024

Feature-based encoding of face identity by single neurons in the human amygdala and hippocampus

Emanuela De Falco

Neurons in the human amygdala and hippocampus are classically thought to encode a person’s identity invariant to visual features. However, it remains largely unknown how visual information from higher visual cortical areas is translated into such a semanti ...

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Robust NAS under adversarial training: benchmark, theory, and beyond

Volkan Cevher, Grigorios Chrysos, Fanghui Liu, Yongtao Wu

Recent developments in neural architecture search (NAS) emphasize the significance of considering robust architectures against malicious data. However, there is a notable absence of benchmark evaluations and theoretical guarantees for searching these robus ...

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Hybrid Simulator for Capturing Dynamics of Synthetic Populations

Michel Bierlaire, Marija Kukic

This paper presents a novel hybrid framework for generating and updating a synthetic population. We call it hybrid because it combines model-based and data-driven approaches. Existing generators produce a snapshot of synthetic data that becomes outdated ov ...

IEEE2024

The Skin of Venice: A Computational Approach to the City's Urban Structure

Paul Robert Guhennec

This thesis explores the how computational methods can be used to enrich the history of architecture. Using Venice as a case study, it establishes a rich and multifaceted information system, made up of temporal, stylistic, photographic, architectural, and ...

EPFL2025