Publications related to Supplementary datasets for "ARBRE: Computational resource to predict pathways towards industrially important aromatic compounds"

Related publications (29)

Altruism, reciprocity, and tokens to reward forwarding data: Is that fair?

Decentralized storage networks offer services with intriguing possibilities to reduce inequalities in an extremely centralized market. Fair distribution of rewards, however, is still a persistent problem in the current generation of decentralized applicati ...

2024

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

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

Daniel Probst

While the introduction of practical deep learning has driven progress across scientific fields, recent research highlighted that the requirement of deep learning for ever-increasing computational resources and data has potential negative impacts on the sci ...

2023

Global, Passive Detection of Connection Tampering

Louis-Henri Manuel Jakob Merino

In-network devices around the world monitor and tamper with connections for many reasons, including intrusion prevention, combating spam or phishing, and country-level censorship. Connection tampering seeks to block access to specific domain names or keywo ...

Assoc Computing Machinery2023

Expanding computational biochemistry towards complex and non-natural compounds

Anastasia Sveshnikova

In the beginning was the metabolism. The biochemical processes that make life possible transformed the soup of chemicals into the life on Earth we know today. Since then, living organisms have evolved, and life on Earth has become more complex. Living orga ...

EPFL2023

Equilibria in Network Constrained Energy Markets

Leonardo Massai

We study an energy market composed of producers who compete to supply energy to different markets and want to maximize their profits. The energy market is modeled by a graph representing a constrained power network where nodes represent the markets and lin ...

Elsevier2023

SKA Science Data Challenge 2: analysis and results

Yi Zhang, Lei Zhang, Hua Zhang, Xin Chen, Jean-Paul Richard Kneib, Frédéric Courbin, Xiuwei Zhang, Libo Yu, Claudio Gheller, Aymeric Alexandre Galan, Austin Chandler Peel, Emma Elizabeth Tolley, Mark Thomas Sargent

The Square Kilometre Array Observatory (SKAO) will explore the radio sky to new depths in order to conduct transformational science. SKAO data products made available to astronomers will be correspondingly large and complex, requiring the application of ad ...

OXFORD UNIV PRESS2023

Artificial Neural Network Training on an Optical Processor via Direct Feedback Alignment

Florent Gérard Krzakala

Artificial Neural Networks (ANN) are habitually trained via the back-propagation (BP) algorithm. This approach has been extremely successful: Current models like GPT-3 have O(10 11 ) parameters, are trained on O(10 11 ) words and produce awe-inspiring resu ...

IEEE2023

Short-term dynamics of drainage density based on a combination of channel flow state surveys and water level measurements

Andrea Rinaldo, Jana Freiin von Freyberg, Izabela Bujak-Ozga

Headwater streams often experience intermittent flow. Consequently, the flowing drainage network expands and contracts and the flowing drainage density (DD) varies over time. Monitoring the DD dynamics is essential to understand the processes controlling i ...

Wiley2023

Estimating pollution spread in water networks as a Schrödinger bridge problem with partial information

Isabel Haasler

Incidents where water networks are contaminated with microorganisms or pollutants can result in a large number of infected or ill persons, and it is therefore important to quickly detect, localize and estimate the spread and source of the contamination. In ...

Elsevier2023

Caching and Neutrality

Aikaterini Argyraki, Pavlos Nikolopoulos, Muhammad Abdullah

We are used to defining network neutrality as absence of traffic differentiation, like policing or shaping. These mechanisms, however, are often not what determines end-users’ quality of experience (QoE). Most content today is accessed through edge caches, ...

ACM Association for Computing Machinery2023

Model Predictive Control for Multi-Agent Systems under Limited Communication and Time-Varying Network Topology

Melanie Nicole Zeilinger, Danilo Saccani

In control system networks, reconfiguration of the controller when agents are leaving or joining the network is still an open challenge, in particular when operation constraints that depend on each agent's behavior must be met. Drawing our motivation from ...

IEEE2023

Efficient and Accurate Handling of Periodic Flows in Time-Sensitive Networks

Jean-Yves Le Boudec, Seyed Mohammadhossein Tabatabaee

Total Flow Analysis (TFA) is a method for the worst-case analysis of time-sensitive networks. It uses service curve characterizations of the network nodes and arrival curves of flows at their sources; for tractability, the latter are often taken to be line ...

2023

Community-based reconstruction and simulation of a full-scale model of region CA1 of rat hippocampus

Alberto Antonietti, Davide Bella, Pranav Rai, Henry Markram, Felix Schürmann, Eilif Benjamin Muller, Michael Reimann, Marwan Muhammad Ahmed Abdellah, Werner Alfons Hilda Van Geit, Lida Kanari, Srikanth Ramaswamy, James Gonzalo King, Alexis Arnaudon, Ying Shi, András Ecker, Jean-Denis Georges Emile Courcol, Armando Romani, Pramod Shivaji Kumbhar, Judit Planas Carbonell, Michael Emiel Gevaert, Nadir Roman Guerrero, Liesbeth Maria L Vanherpe, Huanxiang Lu, Mohameth François Sy, Cristina Colangelo, Juan Bautista Hernando Vieites, Cyrille Pierre Henri Favreau, Genrich Ivaska, Anna-Kristin Kaufmann, Joni Henrikki Herttuainen, Elvis Boci, Vishal Sood, Thomas Brice Delemontex, Fabien Petitjean, Julian Martin Budd, Mustafa Kerem Kurban

The CA1 region of the hippocampus is one of the most studied regions of the rodent brain, thought to play an important role in cognitive functions such as memory and spatial navigation. Despite a wealth of experimental data on its structure and function, i ...

2024

Fundamental Limits in Statistical Learning Problems: Block Models and Neural Networks

Elisabetta Cornacchia

This thesis focuses on two selected learning problems: 1) statistical inference on graphs models, and, 2) gradient descent on neural networks, with the common objective of defining and analysing the measures that characterize the fundamental limits. In th ...

EPFL2023

Estimating the Topology of Preferential Attachment Graphs Under Partial Observability

Ali H. Sayed

This work addresses the problem of learning the topology of a network from the signals emitted by the network nodes. These signals are generated over time through a linear diffusion process, where neighboring nodes exchange messages according to the underl ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Reactivity of Bromine Radical with Dissolved Organic Matter Moieties and Monochloramine: Effect on Bromate Formation during Ozonation

Urs von Gunten, Sung Eun Lim

Bromine radical (Br center dot) has been hypothesized to be a key intermediate of bromate formation during ozonation. Once formed, Br center dot further reacts with ozone to eventually form bromate. However, this reaction competes with the reaction of Br c ...

AMER CHEMICAL SOC2023

Modeling, analysis, and design of complex biological networks

Mohammadomid Oftadeh

Automating experimental procedures has resulted in an unprecedented increase in the volume of generated data, which, in turn, has caused an accumulation of unprocessed data. As a result, the need to develop tools to analyze data systematically has been ris ...

EPFL2023

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

Predicting nonlinear optical scattering with physics-driven neural networks

Demetri Psaltis, Carlo Gigli

Deep neural networks trained on physical losses are emerging as promising surrogates for nonlinear numerical solvers. These tools can predict solutions to Maxwell's equations and compute gradients of output fields with respect to the material and geometric ...

AIP Publishing2023