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

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Publications associées (31)

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 Existing generators produce a snapshot of synthetic data that becomes outdated ov ...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

Incorporating Projective Geometry into Deep Learning

Michal Jan Tyszkiewicz

In this thesis we explore the applications of projective geometry, a mathematical theory of the relation between 3D scenes and their 2D images, in modern learning-based computer vision systems. This is an interesting research question which contradicts the ...

EPFL2024

Advancing Self-Supervised Deep Learning for 3D Scene Understanding

Seyed Mohammad Mahdi Johari

Recent advancements in deep learning have revolutionized 3D computer vision, enabling the extraction of intricate 3D information from 2D images and video sequences. This thesis explores the application of deep learning in three crucial challenges of 3D com ...

EPFL2024

Reducing uncertainties in response predictions of earthquake-damaged masonry buildings using data from image-based inspection

Ian Smith, Katrin Beyer, Bryan German Pantoja Rosero, Mathias Christian Haindl Carvallo

Image information about the state of a building after an earthquake, which can be collected without endangering the post-earthquake reconnaissance activities, can be used to reduce uncertainties in response predictions for future seismic events. This paper ...

Springer2024

Residual-based attention in physics-informed neural networks

Nikolaos Stergiopoulos, Sokratis Anagnostopoulos

Driven by the need for more efficient and seamless integration of physical models and data, physics -informed neural networks (PINNs) have seen a surge of interest in recent years. However, ensuring the reliability of their convergence and accuracy remains ...

Elsevier Science Sa2024

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

Inverse design of metal-organic frameworks for direct air capture of CO2via deep reinforcement learning

Berend Smit, Sauradeep Majumdar, Xiaoqi Zhang, Hyunsoo Park

The combination of several interesting characteristics makes metal-organic frameworks (MOFs) a highly sought-after class of nanomaterials for a broad range of applications like gas storage and separation, catalysis, drug delivery, and so on. However, the e ...

Royal Soc Chemistry2024

Designing for Intimate Wellbeing: Aidee, a Qualitative Approach To Urine Home Monitoring

Nicolas Henchoz, Delphine Ribes Lemay, Emily Clare Groves, Margherita Motta

Despite the widespread use of self-tracking technologies for promoting personal wellbeing, there is limited research on the monitoring of intimate data, particularly urine. To shed light on the design possibilities within this unexplored domain we designed ...

DRS Digital Library2024

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

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

Probabilistic and Deterministic Wellposedness for Low Regularity Dispersive Equations

Katie Sabrina Catherine Rosie Marsden

In this thesis we will present two results on global existence for nonlinear dispersive equations with data at or below the scaling regularity. In chapter 1 we take a probabilistic perspective to study the energy-critical nonlinear Schrödinger equation in ...

EPFL2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

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