相关论文: Enumerating Chemical Graphs with Mono-block 2-Augm…

Individualization-Refinement (IR) algorithms form the standard method and currently the only practical method for symmetry computations of graphs and combinatorial objects in general. Through backtracking, on each graph an IR-algorithm…

The celebrated Seq2Seq technique and its numerous variants achieve excellent performance on many tasks such as neural machine translation, semantic parsing, and math word problem solving. However, these models either only consider input…

Quasi-cliques are dense incomplete subgraphs of a graph that generalize the notion of cliques. Enumerating quasi-cliques from a graph is a robust way to detect densely connected structures with applications to bio-informatics and social…

Let $H=(V,F)$ be a simple hypergraph without loops. $H$ is called linear if $|f\cap g|\le 1$ for any $f,g\in F$ with $f\not=g$. The $2$-section of $H$, denoted by $[H]_2$, is a graph with $V([H]_2)=V$ and for any $ u,v\in V([H]_2)$, $uv\in…

It is well known that Drug Design is often a costly process both in terms of time and economic effort. While good Quantitative Structure-Activity Relationship models (QSAR) can help predicting molecular properties without the need to…

Directed acyclic graphs are the basic representation of the structure underlying Bayesian networks, which represent multivariate probability distributions. In many practical applications, such as the reverse engineering of gene regulatory…

The inducibility of a graph represents its maximum density as an induced subgraph over all possible sequences of graphs of size growing to infinity. This invariant of graphs has been extensively studied since its introduction in $1975$ by…

Text generation from AMR requires mapping a semantic graph to a string that it annotates. Transformer-based graph encoders, however, poorly capture vertex dependencies that may benefit sequence prediction. To impose order on an encoder, we…

Reconstruction of evolutionary relationships between species is an important topic in the field of computational biology. Pairwise compatibility graphs (PCGs) are used to model such relationships. A graph is a PCG if its edges can be…

We consider the problem of testing properties of graphs underlying high-dimensional graphical models. We adopt the model of covariance queries introduced by Lugosi, Truszkowski, Velona, and Zwiernik (2021). We study the case when the…

Tackling molecular optimization problems using conventional computational methods is challenging, because the determination of the optimized configuration is known to be an NP-hard problem. Recently, there has been increasing interest in…

In this paper we investigate undirected discrete graphical tree models when all the variables in the system are binary, where leaves represent the observable variables and where all the inner nodes are unobserved. A novel approach based on…

The analysis of the computational power of single-query quantum algorithms is important because they must extract maximal information from one oracle call, revealing fundamental limits of quantum advantage and enabling optimal,…

Ensemble methods such as random forests have transformed the landscape of supervised learning, offering highly accurate prediction through the aggregation of multiple weak learners. However, despite their effectiveness, these methods often…

A new heuristic based on vertex invariants is developed to rapidly distinguish non-isomorphic graphs to a desired level of accuracy. The method is applied to sample subgraphs from an E.coli protein interaction network, and as a probe for…

The family of visibility algorithms were recently introduced as mappings between time series and graphs. Here we extend this method to characterize spatially extended data structures by mapping scalar fields of arbitrary dimension into…

Fractional revival occurs between two vertices in a graph if a continuous-time quantum walk unitarily maps the characteristic vector of one vertex to a superposition of the characteristic vectors of the two vertices. This phenomenon is…

We present two on-line algorithms for maintaining a topological order of a directed $n$-vertex acyclic graph as arcs are added, and detecting a cycle when one is created. Our first algorithm handles $m$ arc additions in $O(m^{3/2})$ time.…

This paper studies increasing trees on $n$ labeled vertices, in which labels increase from the root to the leaves. It is known that the number of binary increasing trees coincides with the number of alternating permutations (Euler numbers).…

New applications of data mining, such as in biology, bioinformatics, or sociology, are faced with large datasetsstructured as graphs. We introduce a novel class of tree-shapedpatterns called tree queries, and present algorithms for…