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This chapter studies the problem of traversing large graphs using the breadth-first search order on distributed-memory supercomputers. We consider both the traditional level-synchronous top-down algorithm as well as the recently discovered…
Graph algorithms enormously contribute to the domains such as blockchains, social networks, biological networks, telecommunication networks, and several others. The ever-increasing demand of data-volume, as well as speed of such…
In this paper we introduce the first efficient external-memory algorithm to compute the bisimilarity equivalence classes of a directed acyclic graph (DAG). DAGs are commonly used to model data in a wide variety of practical applications,…
Complex computational problems in science often consist of smaller parts that can have largely distinct compute requirements from one another. For optimal efficiency, analyzing each subtask and scheduling it on the best-suited hardware…
Chaining functions for longer workloads is a key use case for FaaS platforms in data applications. However, modern data pipelines differ significantly from typical serverless use cases (e.g., webhooks and microservices); this makes it…
Distributed supply-chain optimization demands algorithms that can cope with unreliable communication, unbounded messaging delays, and geographically dispersed agents while still guaranteeing convergence with provable rates. In this work, we…
The Primal-Dual hybrid gradient (PDHG) method is a powerful optimization scheme that breaks complex problems into simple sub-steps. Unfortunately, PDHG methods require the user to choose stepsize parameters, and the speed of convergence is…
When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple…
Stochastic gradient descent-based algorithms are widely used for training deep neural networks but often suffer from slow convergence. To address the challenge, we leverage the framework of the alternating direction method of multipliers…
Industrial process engineering and PLC program development have traditionally favored Function Block Diagram (FBD) programming over classical imperative style programming like the object oriented and functional programming paradigms. The…
We propose a novel score-based approach to learning a directed acyclic graph (DAG) from observational data. We adapt a recently proposed continuous constrained optimization formulation to allow for nonlinear relationships between variables…
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power and theoretical methods. This paper introduces a novel,…
With the rapid advancement of digitization and intelligence, enterprise big data processing platforms have become increasingly important in data management. However, traditional monolithic architectures, due to their high coupling, are…
Software design patterns are standard solutions to common problems in software design and architecture. Knowing that a particular module implements a design pattern is a shortcut to design comprehension. Manually detecting design patterns…
I propose an applications-first approach for adjusting how parallel and distributed computing concepts are incorporated into curricula. By focusing on practical applications that leverage parallelism and distributed systems, this approach…
Dynamic programming (DP) algorithms, such as All-Pairs Shortest Path (APSP) and genomic sequence alignment, are fundamental to many scientific domains but are severely bottlenecked by data movement on conventional architectures. While…
Running multi-task DNNs on mobiles is an emerging trend for various applications like autonomous driving and mobile NLP. Mobile DNNs are often compressed to fit the limited resources and thus suffer from degraded accuracy and…
We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…
A hybrid (i.e., physics-guided data-driven) feedforward tracking controller is proposed for systems with unmodeled linear or nonlinear dynamics. The controller is based on the filtered basis function (FBF) approach, hence it is called a…
A computational graph in a deep neural network (DNN) denotes a specific data flow diagram (DFD) composed of many tensors and operators. Existing toolkits for visualizing computational graphs are not applicable when the structure is highly…