Generalized connection graph method for synchronization in asymmetrical networks

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

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

A Note on Lenses in Arrangements of Pairwise Intersecting Circles in the Plane

Rom Pinchasi

Let F be a family of n pairwise intersecting circles in the plane. We show that the number of lenses, that is convex digons, in the arrangement induced by F is at most 2n - 2. This bound is tight. Furthermore, if no two circles in F touch, then the geometr ...

Electronic Journal Of Combinatorics2024

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

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

Maximum Independent Set: Self-Training through Dynamic Programming

Volkan Cevher, Grigorios Chrysos, Efstratios Panteleimon Skoulakis

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly construc ...

2023

Novel Ordering-based Approaches for Causal Structure Learning in the Presence of Unobserved Variables

We propose ordering-based approaches for learning the maximal ancestral graph (MAG) of a structural equation model (SEM) up to its Markov equivalence class (MEC) in the presence of unobserved variables. Existing ordering-based methods in the literature rec ...

Association for the Advancement of Artificial Intelligence (AAAI)2023

Privatized graph federated learning

Ali H. Sayed, Stefan Vlaski, Elsa Rizk

Federated learning is a semi-distributed algorithm, where a server communicates with multiple dispersed clients to learn a global model. The federated architecture is not robust and is sensitive to communication and computational overloads due to its one-m ...

SPRINGER2023

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

Results on Sparse Integer Programming and Geometric Independent Sets

Jana Tabea Cslovjecsek

An integer linear program is a problem of the form max{c^T x : Ax=b, x >= 0, x integer}, where A is in Z^(n x m), b in Z^m, and c in Z^n. Solving an integer linear program is NP-hard in general, but there are several assumptions for which it becomes fixed ...

EPFL2023

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