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Related publications (32)

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Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning

Philippe Schwaller, Jeff Guo

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...

Amer Chemical Soc2024

Reach For the Arcs: Reconstructing Surfaces from SDFs via Tangent Points

Yingying Ren

We introduce an algorithm to reconstruct a mesh from discrete samples of a shape's Signed Distance Function (SDF). A simple geometric reinterpretation of the SDF lets us formulate the problem through a point cloud, from which a surface can be extracted wit ...

Association for Computing Machinery2024

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

Optimization Algorithms for Decentralized, Distributed and Collaborative Machine Learning

Anastasiia Koloskova

Distributed learning is the key for enabling training of modern large-scale machine learning models, through parallelising the learning process. Collaborative learning is essential for learning from privacy-sensitive data that is distributed across various ...

EPFL2024

Learning Sparse Graphons And The Generalized Kesten-Stigum Threshold

Emmanuel Abbé

The problem of learning graphons has attracted considerable attention across several scientific communities, with significant progress over the re-cent years in sparser regimes. Yet, the current techniques still require diverg-ing degrees in order to succe ...

INST MATHEMATICAL STATISTICS-IMS2023

How to Find Molecules with Long-lasting Charge Migration?

Jiri Vanicek, Nikolay Golubev, Alan Scheidegger

Under certain conditions, the ionization of a molecule may create a superposition of electronic states, leading to ultrafast electron dynamics. If controlled, this motion could be used in attochemistry applications, but it has been shown that the decoheren ...

SWISS CHEMICAL SOC2023

Fast Parallel Algorithms for Enumeration of Simple, Temporal, and Hop-Constrained Cycles

Paolo Ienne, Kubilay Atasu, Jovan Blanusa

Finding cycles in directed graphs enables important applications in various domains such as finance, biology, chemistry, and network science. However, as the size of graph datasets continues to grow, it becomes increasingly difficult to discover cycles wit ...

arXiv2023

Fast Parallel Algorithms for Enumeration of Simple, Temporal, and Hop-constrained Cycles

Paolo Ienne, Kubilay Atasu, Jovan Blanusa

Cycles are one of the fundamental subgraph patterns and being able to enumerate them in graphs enables important applications in a wide variety of fields, including finance, biology, chemistry, and network science. However, to enable cycle enumeration in r ...

Assoc Computing Machinery2023

Fast correlation function calculator A high-performance pair-counting toolkit

Cheng Zhao

Context. A novel high-performance exact pair-counting toolkit called fast correlation function calculator (FCFC) is presented.Aims. With the rapid growth of modern cosmological datasets, the evaluation of correlation functions with observational and simula ...

EDP SCIENCES S A2023

Bayesian reconstruction of memories stored in neural networks from their connectivity

Lenka Zdeborová, Florent Gérard Krzakala

The advent of comprehensive synaptic wiring diagrams of large neural circuits has created the field of connectomics and given rise to a number of open research questions. One such question is whether it is possible to reconstruct the information stored in ...

2023

Design and construction of a microfluidics workstation for high-throughput multi-wavelength fluorescence and transmittance activated droplet analysis and sorting

Christoph Merten, Jatin Panwar, Alexis Louis Autour

Droplet microfluidics has revolutionized quantitative high-throughput bioassays and screening, especially in the field of single-cell analysis where applications include cell characterization, antibody discovery and directed evolution. However, droplet mic ...

NATURE PORTFOLIO2023

Assessing real-world gait with digital technology? Validation, insights and recommendations from the Mobilise-D consortium

Kamiar Aminian, Anisoara Ionescu, Abolfazl Soltani

Background: Although digital mobility outcomes (DMOs) can be readily calculated from real-world data collected with wearable devices and ad-hoc algorithms, technical validation is still required. The aim of this paper is to comparatively assess and validat ...

BioMed Central2023

Geometric Considerations in Lattice Programming

Moritz Andreas Venzin

We provide faster algorithms and fine-grained reductions for lattice problems in general norms. ...

EPFL2023

Algorithms push forward the application of MALDI-TOF mass fingerprinting in rapid precise diagnosis

Hubert Girault, Yingdi Zhu

Macromolecular mass fingerprinting using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry is a quick tool for biochemical analysis. In combination with algorithms for automated data analysis and interpretation, it has wide appli ...

WILEY2023

Byzantine-Resilient Learning Beyond Gradients: Distributing Evolutionary Search

Rachid Guerraoui, Matteo Monti, Andrei Kucharavy

Modern machine learning (ML) models are capable of impressive performances. However, their prowess is not due only to the improvements in their architecture and training algorithms but also to a drastic increase in computational power used to train them.|S ...

Assoc Computing Machinery2023

Language Model Decoding as Likelihood–Utility Alignment

Boi Faltings, Robert West, Maxime Jean Julien Peyrard, Debjit Paul, Valentin Hartmann, Martin Josifoski, Frano Rajic, Jiheng Wei

A critical component of a successful language generation pipeline is the decoding algorithm. However, the general principles that should guide the choice of a decoding algorithm re- main unclear. Previous works only compare decoding algorithms in narrow sc ...

Assoc Computational Linguistics-Acl2023

Augmented Lagrangian Methods for Provable and Scalable Machine Learning

Mehmet Fatih Sahin

Non-convex constrained optimization problems have become a powerful framework for modeling a wide range of machine learning problems, with applications in k-means clustering, large- scale semidefinite programs (SDPs), and various other tasks. As the perfor ...

EPFL2023

A Fast Hybrid Pressure-Correction Algorithm for Simulating Incompressible Flows by Projection Methods

Jiannong Fang

To enforce the conservation of mass principle, a pressure Poisson equation arises in the numerical solution of incompressible fluid flow using the pressure-based segregated algorithms such as projection methods. For unsteady flows, the pressure Poisson equ ...

2023

The splay-list: a distribution-adaptive concurrent skip-list

Dan Alistarh, Amirkeivan Mohtashami

The design and implementation of efficient concurrent data structures has seen significant attention. However, most of this work has focused on concurrent data structures providing good worst-case guarantees, although, in real workloads, objects are often ...

SPRINGER2023

Sketches, metrics and fast algorithms

Navid Nouri

As it has become easier and cheaper to collect big datasets in the last few decades, designing efficient and low-cost algorithms for these datasets has attracted unprecedented attention. However, in most applications, even storing datasets as acquired has ...

EPFL2022