Publications related to GOT: An Optimal Transport framework for Graph comparison

The Power of Two Matrices in Spectral Algorithms for Community Recovery

Spectral algorithms are some of the main tools in optimization and inference problems on graphs. Typically, the graph is encoded as a matrix and eigenvectors and eigenvalues of the matrix are then used to solve the given graph problem. Spectral algorithms ...

Ieee-Inst Electrical Electronics Engineers Inc2024

The connection of the acyclic disconnection and feedback arc sets - On an open problem of Figueroa et al

Lukas Fritz Felix Vogl

We examine the connection of two graph parameters, the size of a minimum feedback arcs set and the acyclic disconnection. A feedback arc set of a directed graph is a subset of arcs such that after deletion the graph becomes acyclic. The acyclic disconnecti ...

Elsevier2024

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Yannick Calvino Alonso, Puck Elisabeth van Gerwen, Ksenia Briling, Malte Martin Franke

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

Molecular hypergraph neural networks

Philippe Schwaller, Junwu Chen

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher order connections, such as m ...

Aip Publishing2024

In Medio Stat Virtus: Combining Boolean and Pattern Matching

Giovanni De Micheli, Alessandro Tempia Calvino, Gianluca Radi

Technology mapping transforms a technology-independent representation into a technology-dependent one given a library of cells. This process is performed by means of local replacements that are extracted by matching sections of the subject graph to library ...

IEEE2024

Network-based kinetic models: Emergence of a statistical description of the graph topology

Matteo Raviola

In this paper, we propose a novel approach that employs kinetic equations to describe the collective dynamics emerging from graph-mediated pairwise interactions in multi-agent systems. We formally show that for large graphs and specific classes of interact ...

Cambridge Univ Press2024

Towards improving full-length ribosome density prediction by bridging sequence and graph-based representations

Felix Naef, Pierre Vandergheynst, Cédric Gobet, Mohan Vamsi Nallapareddy, Francesco Craighero

Translation elongation plays an important role in regulating protein concentrations in the cell, and dysregulation of this process has been linked to several human diseases. In this study, we use data from ribo-seq experiments to model ribosome densities, ...

PMLR2024

Stability of the Faber-Krahn inequality for the short-time Fourier transform

Joao Pedro Gonçalves Ramos

We prove a sharp quantitative version of the Faber–Krahn inequality for the short-time Fourier transform (STFT). To do so, we consider a deficit which measures by how much the STFT of a function fails to be optimally concentrated on an arbitrary set of pos ...

Springer Heidelberg2024

Resolving the vicinity of supermassive black holes with gravitational microlensing

Georgios Vernardos

Upcoming wide-field surveys will discover thousands of new strongly lensed quasars which will be monitored with unprecedented cadence by the Legacy Survey of Space and Time (LSST). Many of these quasars will undergo caustic-crossing events over the 10-yr L ...

Oxford Univ Press2024

Small-amplitude Red Giants Elucidate the Nature of the Tip of the Red Giant Branch as a Standard Candle

Richard Irving Anderson, Nolan Wayne Koblischke

The tip of the red giant branch (TRGB) is an important standard candle for determining luminosity distances. Although several 105 small-amplitude red giant stars (SARGs) have been discovered, variability was previously considered irrelevant for the TRGB as ...

Iop Publishing Ltd2024

Extensions of Peer Prediction Incentive Mechanisms

Adam Julian Richardson

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

Equivariant Neural Architectures for Representing and Generating Graphs

Clément Arthur Yvon Vignac

Graph machine learning offers a powerful framework with natural applications in scientific fields such as chemistry, biology and material sciences. By representing data as a graph, we encode the prior knowledge that the data is composed of a set of entiti ...

EPFL2023

A full characterization of invariant embeddability of unimodular planar graphs

Laszlo Marton Toth

When can a unimodular random planar graph be drawn in the Euclidean or the hyperbolic plane in a way that the distribution of the random drawing is isometry-invariant? This question was answered for one-ended unimodular graphs in Benjamini and Timar, using ...

WILEY2023

DiGress: Discrete Denoising diffusion for graph generation

Pascal Frossard, Volkan Cevher, Igor Krawczuk, Clément Arthur Yvon Vignac, Bohan Wang

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or ...

2023

Multiplicative chaos of the Brownian loop soup

Antoine Pierre François Jego, Titus Lupu

We construct a measure on the thick points of a Brownian loop soup in a bounded domain D

D

of the plane with given intensity theta>0

\theta >0

, which is formally obtained by exponentiating the square root of its occupation field. The measure is construct ...

WILEY2023

Beyond Spectral Gap: The Role of the Topology in Decentralized Learning

Thijs Vogels, Hadrien Hendrikx, Martin Jaggi

In data-parallel optimization of machine learning models, workers collaborate to improve their estimates of the model: more accurate gradients allow them to use larger learning rates and optimize faster. In the decentralized setting, in which workers commu ...

Microtome Publishing2023

Metastability of the Potts Ferromagnet on Random Regular Graphs

Jean Bernoulli Ravelomanana

We study the performance of Markov chains for the q-state ferromagnetic Potts model on random regular graphs. While the cases of the grid and the complete graph are by now well-understood, the case of random regular graphs has resisted a detailed analysis ...

SPRINGER2023

Appropriations and Uses of Travel Time

Ludy Juliana González Villamizar

Time has always been a central factor in understanding the challenges of daily mobility. For a long time, and still today, methods of economic evaluation of transport projects have monetized time savings so that they can be included in the cost–benefit ana ...

ISTE Wiley2023

Discovering Influencers in Opinion Formation Over Social Graphs

Ali H. Sayed, Mert Kayaalp, Valentina Shumovskaia, Mert Cemri

The adaptive social learning paradigm helps model how networked agents are able to form opinions on a state of nature and track its drifts in a changing environment. In this framework, the agents repeatedly update their beliefs based on private observation ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Measurement of the 171Tm beta spectrum

Alexey Boyarsky, Lesya Shchutska

The beta spectrum of the main transition of the 171Tm was measured using a double focalizing spectrometer. The instrument was lately improved in order to reduce its low energy threshold to 34 keV. We used the spectrometer to measure the energy end-point of ...

2023