Publications associées à Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia

Extensions of Peer Prediction Incentive Mechanisms

As large, data-driven artificial intelligence models become ubiquitous, guaranteeing high data quality is imperative for constructing models. Crowdsourcing, community sensing, and data filtering have long been the standard approaches to guaranteeing or imp ...

EPFL2024

Estrogenic, Genotoxic, and Antibacterial Effects of Chemicals from Cryogenically Milled Tire Tread

Florian Frédéric Vincent Breider, Kristin Schirmer, Benoît Jean Dominique Ferrari, Thibault Béranger Masset

Tire and road wear particles (TRWP) contain complex mixtures of chemicals and release them to the environment,and potential toxic effects of these chemicals still need to be characterized. We used a standardized surrogate for TRWP,cryogenically milled tire ...

2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Modular segmentation, spatial analysis and visualization of volume electron microscopy datasets

Martin Weigert

Volume electron microscopy is the method of choice for the in situ interrogation of cellular ultrastructure at the nanometer scale, and with the increase in large raw image datasets generated, improving computational strategies for image segmentation and s ...

Nature Portfolio2024

Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

Data-driven statistical optimization of a groundwater monitoring network

Andrea Rinaldo, Gianluca Botter

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

Technology-Aware Logic Synthesis for Superconducting Electronics

Giovanni De Micheli, Dewmini Sudara Marakkalage, Siang-Yun Lee, Alessandro Tempia Calvino, Mingfei Yu, Rassul Bairamkulov

Superconducting electronics provide us with cryogenic digital circuits that can rival established technologies in performance and energy consumption. Today, the lack of tools for the design of large-scale integrated superconducting circuits is a major obst ...

2024

Stability: a search for structure

Wouter Jongeneel

In this thesis we study stability from several viewpoints. After covering the practical importance, the rich history and the ever-growing list of manifestations of stability, we study the following. (i) (Statistical identification of stable dynamical syste ...

EPFL2024

Ultrahigh-quality-factor micro- and nanomechanical resonators using dissipation dilution

Tobias Kippenberg, Nils Johan Engelsen, Alberto Beccari

Mechanical resonators are widely used in sensors, transducers and optomechanical systems, where mechanical dissipation sets the ultimate limit to performance. Over the past 15 years, the quality factors in strained mechanical resonators have increased by f ...

Nature Portfolio2024

A state-of-the-art, systematic review of indoor environmental quality studies in work-from-home settings

Giorgia Chinazzo

The COVID-19 pandemic has led to a significant increase in working from home worldwide, making the workfrom-home (WFH) setting a crucial context for studying the influence of indoor environmental quality (IEQ) on workers' well-being and productivity. A nar ...

Pergamon-Elsevier Science Ltd2024

Reduced Training Data for Laser Ultrasound Signal Interpretation by Neural Networks

Romain Christophe Rémy Fleury, Janez Rus

The performance of machine learning algorithms is conditioned by the availability of training datasets, which is especially true for the field of nondestructive evaluation. Here we propose one reconfigurable specimen instead of numerous reference specimens ...

2024

Blue Brain Nexus: An open, secure, scalable system for knowledge graph management and data-driven science

Henry Markram, Henry Genet, Alejandra Garcia Rojas Martinez, Sean Lewis Hill, Huanxiang Lu, Mohameth François Sy, Samuel Claude Kerrien, Michaël Fernand Paul Dupont, Silvia Rosario Jimenez Tejeda, Bogdan Roman, Ian Lavriushev, Anna-Kristin Kaufmann, Didac Montero Mendez, Wojciech Adam Wajerowicz, Pierre-Alexandre Fonta, Kenneth William Pirman, Julien Antonin Machon, Jonathan Raël Lurie, Dhanesh Neela Mana, Natalia Stafeeva, Alexander Désiré Ulbrich, Carolina Johanna Elisabeth Lindqvist

Modern data-driven science often consists of iterative cycles of data discovery, acquisition, preparation, analysis, model building and validation leading to knowledge discovery as well as dissemination at scale. The unique challenges of building and simul ...

2023

incentive Mechanism Design for Responsible Data Governance: A Large-Scale Field Experiment

Boi Faltings, Naman Goel

A crucial building block of responsible artificial intelligence is responsible data governance, including data collection. Its importance is also underlined in the latest EU regulations. The data should be of high quality, foremost correct and representati ...

2023

An Overview of Heterogeneous Catalysts Based on Hypercrosslinked Polystyrene for the Synthesis and Transformation of Platform Chemicals Derived from Biomass

Lioubov Kiwi

Platform chemicals, also known as chemical building blocks, are substances that serve as starting materials for the synthesis of various value-added products, which find a wide range of applications. These chemicals are the key ingredients for many fine an ...

MDPI2023

A Practical Influence Approximation for Privacy-Preserving Data Filtering in Federated Learning

Boi Faltings, Panayiotis Danassis, Ljubomir Rokvic

Federated Learning by nature is susceptible to low-quality, corrupted, or even malicious data that can severely degrade the quality of the learned model. Traditional techniques for data valuation cannot be applied as the data is never revealed. We present ...

2023

BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets

Pascal Fua, Sean Lewis Hill, Amos Sironi, Jiancheng Yang, Jian Zhou, Siqi Liu, Xiang Li, Jie Zhou

BigNeuron is an open community bench-testing platform with the goal of setting open standards for accurate and fast automatic neuron tracing. We gathered a diverse set of image volumes across several species that is representative of the data obtained in m ...

2023

OSSCAR, an open platform for collaborative development of computational tools for education in science

Giovanni Pizzi, Sara Bonella, Dou Du

In this paper we present the Open Software Services for Classrooms and Research (OSSCAR) platform. OSSCAR provides an open collaborative environment to develop and access educational resources in the form of web applications, for which various deployment m ...

ELSEVIER2023

JPEG AIC-3 Dataset: Towards Defining the High Quality to Nearly Visually Lossless Quality Range

Touradj Ebrahimi, Vlad Hosu, Davi Nachtigall Lazzarotto, Michela Testolina

Visual data play a crucial role in modern society, and the rate at which images and videos are acquired, stored, and exchanged every day is rapidly increasing. Image compression is the key technology that enables storing and sharing of visual content in an ...

2023

Lignin Hydrogenolysis: Phenolic Monomers from Lignin and Associated Phenolates across Plant Clades

Jeremy Luterbacher, Yuan Li

The chemical complexity of lignin remains a major challengeforlignin valorization into commodity and fine chemicals. A knowledgeof the lignin features that favor its valorization and which plantsproduce such lignins can be used in plant selection or to eng ...

AMER CHEMICAL SOC2023

Dynamism in the context of views out: A literature review

Marilyne Andersen, Caroline Karmann, Yunjoung Cho

Previous studies have shown that access to a satisfactory view to the outside with sufficient daylight is essential for building occupants' health and well-being. It has also been suggested that certain features of visual content improve view-out quality, ...

2023