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Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However current deep neural methods suffer from limited scalability: for a…

Most real-world graphs exhibit a hierarchical structure, which is often overlooked by existing graph generation methods. To address this limitation, we propose a novel graph generative network that captures the hierarchical nature of graphs…

Graph analytics power a range of applications in areas as diverse as finance, networking and business logistics. A common property of graphs used in the domain of graph analytics is a power-law distribution of vertex connectivity, wherein a…

Visually sorted grid layouts provide an efficient method for organizing high-dimensional vectors in two-dimensional space by aligning spatial proximity with similarity relationships. This approach facilitates the effective sorting of…

Graph neural networks (GNNs) are a type of neural network capable of learning on graph-structured data. However, training GNNs on large-scale graphs is challenging due to iterative aggregations of high-dimensional features from neighboring…

Graph representation learning is a fundamental problem for modeling relational data and benefits a number of downstream applications. Traditional Bayesian-based graph models and recent deep learning based GNN either suffer from…

We extend our previous algorithm that generates all labeled graphs with a given graphical degree sequence to generate all labeled triangle-free graphs with a given graphical degree sequence. The algorithm uses various pruning techniques to…

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes…

Deep generative models are universal tools for learning data distributions on high dimensional data spaces via a mapping to lower dimensional latent spaces. We provide a study of latent space geometries and extend and build upon previous…

We demonstrate the use of conditional autoregressive generative models (van den Oord et al., 2016a) over a discrete latent space (van den Oord et al., 2017b) for forward planning with MCTS. In order to test this method, we introduce a new…

We introduce a variation of the scheduling with precedence constraints problem that has applications to molecular folding and production management. We are given a bipartite graph $H=(B,S)$. Vertices in $B$ are thought of as goods or…

We present an on-line algorithm for maintaining a topological order of a directed acyclic graph as arcs are added, and detecting a cycle when one is created. Our algorithm takes O(m^{1/2}) amortized time per arc, where m is the total number…

In the environment of fair lending laws and the General Data Protection Regulation (GDPR), the ability to explain a model's prediction is of paramount importance. High quality explanations are the first step in assessing fairness.…

Causal discovery, the learning of causality in a data mining scenario, has been of strong scientific and theoretical interest as a starting point to identify "what causes what?" Contingent on assumptions and a proper learning algorithm, it…

Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric…

Conventional neural autoregressive decoding commonly assumes a fixed left-to-right generation order, which may be sub-optimal. In this work, we propose a novel decoding algorithm -- InDIGO -- which supports flexible sequence generation in…

Sketching is inherently a sequential process, in which strokes are drawn in a meaningful order to explore and refine ideas. However, most generative models treat sketches as static images, overlooking the temporal structure that underlies…

Molecular graphs generally contain subgraphs (known as groups) that are identifiable and significant in composition, functionality, geometry, etc. Flat latent representations (node embeddings or graph embeddings) fail to represent, and…

Most sequence-to-sequence (seq2seq) models are autoregressive; they generate each token by conditioning on previously generated tokens. In contrast, non-autoregressive seq2seq models generate all tokens in one pass, which leads to increased…

Tag recommendation relies on either a ranking function for top-$k$ tags or an autoregressive generation method. However, the previous methods neglect one of two seemingly conflicting yet desirable characteristics of a tag set: orderlessness…