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09/11/2023
Memory Injections: Correcting Multi-Hop Reasoning Failures during Inference in Transformer-Based Language Models
Answering multi-hop reasoning questions requires retrieving and synthesi...
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08/25/2023
Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to Supercomputers
The Dynamic PicoProbe at Argonne National Laboratory is undergoing upgra...
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08/18/2023
Towards a Modular Architecture for Science Factories
Advances in robotic automation, high-performance computing (HPC), and ar...
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07/29/2023
nelli: a lightweight frontend for MLIR
Multi-Level Intermediate Representation (MLIR) is a novel compiler infra...
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07/15/2023
PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs
It is generally desirable for high-performance computing (HPC) applicati...
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07/11/2023
Optimizing Scientific Data Transfer on Globus with Error-bounded Lossy Compression
The increasing volume and velocity of science data necessitate the frequ...
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06/14/2023
GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale
We introduce GHP-MOFassemble, a Generative artificial intelligence (AI),...
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06/09/2023
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Chemistry and materials science are complex. Recently, there have been g...
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05/16/2023
Accelerating Communications in Federated Applications with Transparent Object Proxies
Advances in networks, accelerators, and cloud services encourage program...
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05/05/2023
Data Station: Delegated, Trustworthy, and Auditable Computation to Enable Data-Sharing Consortia with a Data Escrow
Pooling and sharing data increases and distributes its value. But since ...
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04/28/2023
Hierarchical and Decentralised Federated Learning
Federated learning has shown enormous promise as a way of training ML mo...
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03/15/2023
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
Applications that fuse machine learning and simulation can benefit from ...
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02/13/2023
OpenHLS: High-Level Synthesis for Low-Latency Deep Neural Networks for Experimental Science
In many experiment-driven scientific domains, such as high-energy physic...
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11/02/2022
Insight into cloud processes from unsupervised classification with a rotationally invariant autoencoder
Clouds play a critical role in the Earth's energy budget and their poten...
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09/30/2022
FAIR for AI: An interdisciplinary, international, inclusive, and diverse community building perspective
A foundational set of findable, accessible, interoperable, and reusable ...
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09/30/2022
Cloud Classification with Unsupervised Deep Learning
We present a framework for cloud characterization that leverages modern ...
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09/29/2022
AICCA: AI-driven Cloud Classification Atlas
Clouds play an important role in the Earth's energy budget and their beh...
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09/23/2022
funcX: Federated Function as a Service for Science
funcX is a distributed function as a service (FaaS) platform that enable...
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09/03/2022
Masked Sinogram Model with Transformer for ill-Posed Computed Tomography Reconstruction: a Preliminary Study
Computed Tomography (CT) is an imaging technique where information about...
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08/19/2022
Globus Automation Services: Research process automation across the space-time continuum
Research process automation–the reliable, efficient, and reproducible ex...
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07/15/2022
Playing catch-up in building an open research commons
On August 2, 2021 a group of concerned scientists and US funding agency ...
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07/01/2022
FAIR principles for AI models, with a practical application for accelerated high energy diffraction microscopy
A concise and measurable set of FAIR (Findable, Accessible, Interoperabl...
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05/23/2022
ScholarBERT: Bigger is Not Always Better
Transformer-based masked language models trained on general corpora, suc...
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05/03/2022
Extended Abstract: Productive Parallel Programming with Parsl
Parsl is a parallel programming library for Python that aims to make it ...
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05/03/2022
Real-Time Streaming and Event-driven Control of Scientific Experiments
Advancements in scientific instrument sensors and connected devices prov...
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05/02/2022
3D Convolutional Neural Networks for Dendrite Segmentation Using Fine-Tuning and Hyperparameter Optimization
Dendritic microstructures are ubiquitous in nature and are the primary s...
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04/20/2022
fairDMS: Rapid Model Training by Data and Model Reuse
Extracting actionable information from data sources such as the Linac Co...
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04/11/2022
Linking Scientific Instruments and HPC: Patterns, Technologies, Experiences
Powerful detectors at modern experimental facilities routinely collect d...
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04/08/2022
The History of the Grid
With the widespread availability of high-speed networks, it becomes feas...
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01/20/2022
CUF-Links: Continuous and Ubiquitous FAIRness Linkages for reproducible research
Despite much creative work on methods and tools, reproducibility – the a...
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01/17/2022
Sharing Begins at Home
The broad sharing of research data is widely viewed as of critical impor...
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10/06/2021
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
Scientific applications that involve simulation ensembles can be acceler...
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07/15/2021
Improving I/O Performance for Exascale Applications through Online Data Layout Reorganization
The applications being developed within the U.S. Exascale Computing Proj...
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07/04/2021
KAISA: An Adaptive Second-order Optimizer Framework for Deep Neural Networks
Kronecker-factored Approximate Curvature (K-FAC) has recently been shown...
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06/22/2021
BFTrainer: Low-Cost Training of Neural Networks on Unfillable Supercomputer Nodes
Supercomputer FCFS-based scheduling policies result in many transient id...
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05/28/2021
Bridge Data Center AI Systems with Edge Computing for Actionable Information Retrieval
Extremely high data rates at modern synchrotron and X-ray free-electron ...
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05/26/2021
Scalable Multigrid-based Hierarchical Scientific Data Refactoring on GPUs
Rapid growth in scientific data and a widening gap between computational...
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04/14/2021
A National Discovery Cloud: Preparing the US for Global Competitiveness in the New Era of 21st Century Digital Transformation
The nature of computation and its role in our lives have been transforme...
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04/10/2021
Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles
The use of ML methods to dynamically steer ensemble-based simulations pr...
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03/24/2021
Towards Accommodating Real-time Jobs on HPC Platforms
Increasing data volumes in scientific experiments necessitate the use of...
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03/08/2021
Data-driven Cloud Clustering via a Rotationally Invariant Autoencoder
Advanced satellite-born remote sensing instruments produce high-resoluti...
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01/18/2021
Fast and accurate learned multiresolution dynamical downscaling for precipitation
This study develops a neural network-based approach for emulating high-r...
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01/12/2021
AI- and HPC-enabled Lead Generation for SARS-CoV-2: Models and Processes to Extract Druglike Molecules Contained in Natural Language Text
Researchers worldwide are seeking to repurpose existing drugs or discove...
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12/16/2020
Infrastructure for Artificial Intelligence, Quantum and High Performance Computing
High Performance Computing (HPC), Artificial Intelligence (AI)/Machine L...
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12/11/2020
The Rise of AI-Driven Simulators: Building a New Crystal Ball
The use of computational simulation is by now so pervasive in society th...
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11/30/2020
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
Intermolecular and long-range interactions are central to phenomena as d...
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11/17/2020
FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking
We present the Feature Tracking Kit (FTK), a framework that simplifies, ...
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10/16/2020
Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis
Flame Spray Pyrolysis (FSP) is a manufacturing technique to mass produce...
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10/13/2020
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
The drug discovery process currently employed in the pharmaceutical indu...
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09/07/2020