Publications (12)
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
Xiaoli Yan, Nathaniel Hudson, Hyun Park +15
We present MOFA, an open-source generative AI (GenAI) plus simulation workflow for high-throughput generation of metal-organic frameworks (MOFs) on large-scale high-performance com…
TaPS: A Performance Evaluation Suite for Task-based Execution Frameworks
J. Gregory Pauloski, Valerie Hayot-Sasson, Maxime Gonthier +5
Task-based execution frameworks, such as parallel programming libraries, computational workflow systems, and function-as-a-service platforms, enable the composition of distinct tas…
Reliable Broadcast in Practical Networks: Algorithm and Evaluation
Yingjian Wu, Haochen Pan, Saptaparni Kumar +1
Reliable broadcast is an important primitive to ensure that a source node can reliably disseminate a message to all the non-faulty nodes in an asynchronous and failure-prone networ…
Optimizing Fine-Grained Parallelism Through Dynamic Load Balancing on Multi-Socket Many-Core Systems
Wenyi Wang, Maxime Gonthier, Poornima Nookala +4
Achieving efficient task parallelism on many-core architectures is an important challenge. The widely used GNU OpenMP implementation of the popular OpenMP parallel programming mode…
Rabia: Simplifying State-Machine Replication Through Randomization
Haochen Pan, Jesse Tuglu, Neo Zhou +6
We introduce Rabia, a simple and high performance framework for implementing state-machine replication (SMR) within a datacenter. The main innovation of Rabia is in using randomiza…
RADAR-Radio Afterglow Detection and AI-driven Response: A Federated Framework for Gravitational Wave Event Follow-Up
Parth Patel, Alessandra Corsi, E. A. Huerta +11
The landmark detection of both gravitational waves (GWs) and electromagnetic (EM) radiation from the binary neutron star merger GW170817 has spurred efforts to streamline the follo…
Experiences with Model Context Protocol Servers for Science and High Performance Computing
Haochen Pan, Ryan Chard, Reid Mello +12
Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and…
WRATH: Workload Resilience Across Task Hierarchies in Task-based Parallel Programming Frameworks
Sicheng Zhou, Zhuozhao Li, Valérie Hayot-Sasson +6
Failures in Task-based Parallel Programming (TBPP) can severely degrade performance and result in incomplete or incorrect outcomes. Existing failure-handling approaches, including…
D-Rex: Heterogeneity-Aware Reliability Framework and Adaptive Algorithms for Distributed Storage
Maxime Gonthier, Dante D. Sanchez-Gallegos, Haochen Pan +8
The exponential growth of data necessitates distributed storage models, such as peer-to-peer systems and data federations. While distributed storage can reduce costs and increase r…
Icicle: Scalable Metadata Indexing and Real-Time Monitoring for HPC File Systems
Haochen Pan, Ryan Chard, Song Young Oh +7
Modern HPC file systems can contain billions of files and hundreds of petabytes of data, making even simple questions increasingly intractable to answer. Traditional file system ut…
Octopus: Experiences with a Hybrid Event-Driven Architecture for Distributed Scientific Computing
Haochen Pan, Ryan Chard, Sicheng Zhou +7
Scientific research increasingly relies on distributed computational resources, storage systems, networks, and instruments, ranging from HPC and cloud systems to edge devices. Even…
DynoStore: A wide-area distribution system for the management of data over heterogeneous storage
Dante D. Sanchez-Gallegos, J. L. Gonzalez-Compean, Maxime Gonthier +6
Data distribution across different facilities offers benefits such as enhanced resource utilization, increased resilience through replication, and improved performance by processin…