Related papers: Finding Largest Common Substructures of Molecules …
We present three sublinear randomized algorithms for vertex-coloring of graphs with maximum degree $\Delta$. The first is a simple algorithm that extends the idea of Morris and Song to color graphs with maximum degree $\Delta$ using…
Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…
The $\Delta$-vertex coloring problem has become one of the prototypical problems for understanding the complexity of local distributed graph problems on constant-degree graphs. The major open problem is whether the problem can be solved…
The crossing number of a graph is the least number of crossings over all drawings of the graph in the plane. Computing the crossing number of a given graph is NP-hard, but fixed-parameter tractable (FPT) with respect to the natural…
We investigate the asymptotic number of induced subgraphs in power-law uniform random graphs. We show that these induced subgraphs appear typically on vertices with specific degrees, which are found by solving an optimization problem.…
Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…
We present the first truly subcubic, combinatorial algorithm for detecting an induced $4$-cycle in a graph. The running time is $O(n^{2.84})$ on $n$-node graphs, thus separating the task of detecting induced $4$-cycles from detecting…
The graph isomorphism problem is a main problem which has numerous applications in different fields. Thus, finding an efficient and easy to implement method to discriminate non-isomorphic graphs is valuable. In this paper, a new method is…
Finding complete subgraphs in a graph, that is, cliques, is a key problem and has many real-world applications, e.g., finding communities in social networks, clustering gene expression data, modeling ecological niches in food webs, and…
There has been a lot of recent interest in mining patterns from graphs. Often, the exact structure of the patterns of interest is not known. This happens, for example, when molecular structures are mined to discover fragments useful as…
We consider the following two algorithmic problems: given a graph $G$ and a subgraph $H\subseteq G$, decide whether $H$ is an isometric or a geodesically convex subgraph of $G$. It is relatively easy to see that the problems can be solved…
While most classical NP-hard graph problems cannot be solved in time $2^{o(n)}$ on general graphs under the Exponential Time Hypothesis (ETH), many exhibit the square-root phenomenon and admit optimal algorithms running in time…
We prove essentially tight lower bounds, conditionally to the Exponential Time Hypothesis, for two fundamental but seemingly very different cutting problems on surface-embedded graphs: the Shortest Cut Graph problem and the Multiway Cut…
Graph partitioning is a key fundamental problem in the area of big graph computation. Previous works do not consider the practical requirements when optimizing the big data analysis in real applications. In this paper, motivated by…
Chemical structure extraction from documents remains a hard problem due to both false positive identification of structures during segmentation and errors in the predicted structures. Current approaches rely on handcrafted rules and…
Finding dense subgraphs of a large network is a fundamental problem in graph mining that has been studied extensively both for its theoretical richness and its many practical applications over the last five decades. However, most existing…
The Maximum Common Subgraph (MCS) problem plays a key role in many applications, including cheminformatics, bioinformatics, and pattern recognition, where it is used to identify the largest shared substructure between two graphs. Although…
We present a new approach for solving (minimum disagreement) correlation clustering that results in sublinear algorithms with highly efficient time and space complexity for this problem. In particular, we obtain the following algorithms for…
Enumerating chemical graphs satisfying given constraints is a fundamental problem in mathematical and computational chemistry, and plays an essential part in a recently proposed framework for the inverse QSAR/QSPR. In this paper,…
Two of the most fundamental distributed symmetry-breaking problems are that of finding a maximal independent set (MIS) and a maximal matching (MM) in a graph. It is a major open question whether these problems can be solved in constant…