相关论文: Graph similarity drives zeolite diffusionless tran…

Heterogeneous graphs are present in various domains, such as social networks, recommendation systems, and biological networks. Unlike homogeneous graphs, heterogeneous graphs consist of multiple types of nodes and edges, each representing…

Complex networks can be used to analyze structures and systems in the embryo. Not only can we characterize growth and the emergence of form, but also differentiation. The process of differentiation from precursor cell populations to…

Data analysts commonly utilize statistics to summarize large datasets. While it is often sufficient to explore only the summary statistics of a dataset (e.g., min/mean/max), Anscombe's Quartet demonstrates how such statistics can be…

A fundamental challenge in the empirical sciences involves uncovering causal structure through observation and experimentation. Causal discovery entails linking the conditional independence (CI) invariances in observational data to their…

Convolutional layers within graph neural networks operate by aggregating information about local neighbourhood structures; one common way to encode such substructures is through random walks. The distribution of these random walks evolves…

Over recent years, denoising diffusion generative models have come to be considered as state-of-the-art methods for synthetic data generation, especially in the case of generating images. These approaches have also proved successful in…

Development combines three basic processes asymmetric --- cell division, signaling and gene regulation --- in a multitude of ways to create an overwhelming diversity of multicellular life-forms. Here, we attempt to chart this diversity…

Graph transformations definable in logic can be described using the notion of transductions. By understanding transductions as a basic embedding mechanism, which captures the possibility of encoding one graph in another graph by means of…

Deciding whether a collection of unrooted trees is compatible is a fundamental problem in phylogenetics. Two different graph-theoretic characterizations of tree compatibility have recently been proposed. In one of these, tree compatibility…

We consider representation learning on periodic graphs encoding crystal materials. Different from regular graphs, periodic graphs consist of a minimum unit cell repeating itself on a regular lattice in 3D space. How to effectively encode…

Graph matching finds the correspondence of nodes across two correlated graphs and lies at the core of many applications. When graph side information is not available, the node correspondence is estimated on the sole basis of network…

Density functional theory (DFT) calculations of 58 liquid elements at their triple point show that most metals exhibit near proportionality between thermal fluctuations between virial and potential-energy in the isochoric ensemble. This…

The increasing scale of graph datasets has significantly improved the performance of graph representation learning methods, but it has also introduced substantial training challenges. Graph dataset condensation techniques have emerged to…

Geometric, topological and graph theory modeling and analysis of biomolecules are of essential importance in the conceptualization of molecular structure, function, dynamics, and transport. On the one hand, geometric modeling provides…

In this paper, we investigate a family of graphs associated to collections of arcs on surfaces. These {\it multiarc graphs} naturally interpolate between arc graphs and flip graphs, both well studied objects in low dimensional geometry and…

Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…

Neural networks that satisfy invariance with respect to input permutations have been widely studied in machine learning literature. However, in many applications, only a subset of all input permutations is of interest. For heterogeneous…

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Rock discontinuities critically govern the mechanical behavior and stability of rock masses. Their internal distributions remain largely unobservable and are typically inferred from surface-exposed discontinuities using generative…

A polytope is called indecomposable if it cannot be expressed nontrivially as a Minkowski sum of other polytopes. Since Gale introduced the concept in 1954, several increasingly strong criteria have been developed to characterize…