arXiv subjects

Ian Foster

Publications and source records attributed to Ian Foster.

At least 91 records · Page 5Linked to original sources

arXiv2024

XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing

HPC and Cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with a shared execution platform that provides transparent access to computing resources, regardless of the underlying cloud or HPC service provider. Bridging HPC and cloud advancements, XaaS presents a unified architecture built on performance-portable containers. Our converged model concentrates on low-overhead, high-performance communication and computing, targeting resource-intensive workloads from climate simulations to machine learning. XaaS lifts the restricted allocation model of Function-as-a-Service (FaaS), allowing users to benefit from the flexibility and efficient resource utilization of serverless while supporting long-running and performance-sensitive workloads from HPC.

cs.DC↗

arXiv2023

WordScape: a Pipeline to extract multilingual, visually rich Documents with Layout Annotations from Web Crawl Data

We introduce WordScape, a novel pipeline for the creation of cross-disciplinary, multilingual corpora comprising millions of pages with annotations for document layout detection. Relating visual and textual items on document pages has gained further significance with the advent of multimodal models. Various approaches proved effective for visual question answering or layout segmentation. However, the interplay of text, tables, and visuals remains challenging for a variety of document understanding tasks. In particular, many models fail to generalize well to diverse domains and new languages due to insufficient availability of training data. WordScape addresses these limitations. Our automatic annotation pipeline parses the Open XML structure of Word documents obtained from the web, jointly providing layout-annotated document images and their textual representations. In turn, WordScape offers unique properties as it (1) leverages the ubiquity of the Word file format on the internet, (2) is readily accessible through the Common Crawl web corpus, (3) is adaptive to domain-specific documents, and (4) offers culturally and linguistically diverse document pages with natural semantic structure and high-quality text. Together with the pipeline, we will additionally release 9.5M urls to word documents which can be processed using WordScape to create a dataset of over 40M pages. Finally, we investigate the quality of text and layout annotations extracted by WordScape, assess the impact on document understanding benchmarks, and demonstrate that manual labeling costs can be substantially reduced.

cs.LG↗

arXiv2023

Attention Lens: A Tool for Mechanistically Interpreting the Attention Head Information Retrieval Mechanism

Transformer-based Large Language Models (LLMs) are the state-of-the-art for natural language tasks. Recent work has attempted to decode, by reverse engineering the role of linear layers, the internal mechanisms by which LLMs arrive at their final predictions for text completion tasks. Yet little is known about the specific role of attention heads in producing the final token prediction. We propose Attention Lens, a tool that enables researchers to translate the outputs of attention heads into vocabulary tokens via learned attention-head-specific transformations called lenses. Preliminary findings from our trained lenses indicate that attention heads play highly specialized roles in language models. The code for Attention Lens is available at github.com/msakarvadia/AttentionLens.

cs.CL↗

arXiv2023

Towards a Modular Architecture for Science Factories

Advances in robotic automation, high-performance computing (HPC), and artificial intelligence (AI) encourage us to conceive of science factories: large, general-purpose computation- and AI-enabled self-driving laboratories (SDLs) with the generality and scale needed both to tackle large discovery problems and to support thousands of scientists. Science factories require modular hardware and software that can be replicated for scale and (re)configured to support many applications. To this end, we propose a prototype modular science factory architecture in which reconfigurable modules encapsulating scientific instruments are linked with manipulators to form workcells, that can themselves be combined to form larger assemblages, and linked with distributed computing for simulation, AI model training and inference, and related tasks. Workflows that perform sets of actions on modules can be specified, and various applications, comprising workflows plus associated computational and data manipulation steps, can be run concurrently. We report on our experiences prototyping this architecture and applying it in experiments involving 15 different robotic apparatus, five applications (one in education, two in biology, two in materials), and a variety of workflows, across four laboratories. We describe the reuse of modules, workcells, and workflows in different applications, the migration of applications between workcells, and the use of digital twins, and suggest directions for future work aimed at yet more generality and scalability. Code and data are available at https://ad-sdl.github.io/wei2023 and in the Supplementary Information

cs.RO↗

arXiv2023

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

cs.AI↗

arXiv2023

Exploring Benchmarks for Self-Driving Labs using Color Matching

Self Driving Labs (SDLs) that combine automation of experimental procedures with autonomous decision making are gaining popularity as a means of increasing the throughput of scientific workflows. The task of identifying quantities of supplied colored pigments that match a target color, the color matching problem, provides a simple and flexible SDL test case, as it requires experiment proposal, sample creation, and sample analysis, three common components in autonomous discovery applications. We present a robotic solution to the color matching problem that allows for fully autonomous execution of a color matching protocol. Our solution leverages the WEI science factory platform to enable portability across different robotic hardware, the use of alternative optimization methods for continuous refinement, and automated publication of results for experiment tracking and post-hoc analysis.

cs.RO↗

arXiv2023

Telescope: An Automated Hybrid Forecasting Approach on a Level-Playing Field

In many areas of decision-making, forecasting is an essential pillar. Consequently, many different forecasting methods have been proposed. From our experience, recently presented forecasting methods are computationally intensive, poorly automated, tailored to a particular data set, or they lack a predictable time-to-result. To this end, we introduce Telescope, a novel machine learning-based forecasting approach that automatically retrieves relevant information from a given time series and splits it into parts, handling each of them separately. In contrast to deep learning methods, our approach doesn't require parameterization or the need to train and fit a multitude of parameters. It operates with just one time series and provides forecasts within seconds without any additional setup. Our experiments show that Telescope outperforms recent methods by providing accurate and reliable forecasts while making no assumptions about the analyzed time series.

cs.LG↗

arXiv2023

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs

It is generally desirable for high-performance computing (HPC) applications to be portable between HPC systems, for example to make use of more performant hardware, make effective use of allocations, and to co-locate compute jobs with large datasets. Unfortunately, moving scientific applications between HPC systems is challenging for various reasons, most notably that HPC systems have different HPC schedulers. We introduce PSI/J, a job management abstraction API intended to simplify the construction of software components and applications that are portable over various HPC scheduler implementations. We argue that such a system is both necessary and that no viable alternative currently exists. We analyze similar notable APIs and attempt to determine the factors that influenced their evolution and adoption by the HPC community. We base the design of PSI/J on that analysis. We describe how PSI/J has been integrated in three workflow systems and one application, and also show via experiments that PSI/J imposes minimal overhead.

cs.DC↗

arXiv2023

Accelerating Communications in Federated Applications with Transparent Object Proxies

Advances in networks, accelerators, and cloud services encourage programmers to reconsider where to compute -- such as when fast networks make it cost-effective to compute on remote accelerators despite added latency. Workflow and cloud-hosted serverless computing frameworks can manage multi-step computations spanning federated collections of cloud, high-performance computing (HPC), and edge systems, but passing data among computational steps via cloud storage can incur high costs. Here, we overcome this obstacle with a new programming paradigm that decouples control flow from data flow by extending the pass-by-reference model to distributed applications. We describe ProxyStore, a system that implements this paradigm by providing object proxies that act as wide-area object references with just-in-time resolution. This proxy model enables data producers to communicate data unilaterally, transparently, and efficiently to both local and remote consumers. We demonstrate the benefits of this model with synthetic benchmarks and real-world scientific applications, running across various computing platforms.

cs.DC↗

arXiv2023

Linking the Dynamic PicoProbe Analytical Electron-Optical Beam Line / Microscope to Supercomputers

The Dynamic PicoProbe at Argonne National Laboratory is undergoing upgrades that will enable it to produce up to 100s of GB of data per day. While this data is highly important for both fundamental science and industrial applications, there is currently limited on-site infrastructure to handle these high-volume data streams. We address this problem by providing a software architecture capable of supporting large-scale data transfers to the neighboring supercomputers at the Argonne Leadership Computing Facility. To prepare for future scientific workflows, we implement two instructive use cases for hyperspectral and spatiotemporal datasets, which include: (i) off-site data transfer, (ii) machine learning/artificial intelligence and traditional data analysis approaches, and (iii) automatic metadata extraction and cataloging of experimental results. This infrastructure supports expected workloads and also provides domain scientists the ability to reinterrogate data from past experiments to yield additional scientific value and derive new insights.

cs.DC↗

arXiv2023

nelli: a lightweight frontend for MLIR

Multi-Level Intermediate Representation (MLIR) is a novel compiler infrastructure that aims to provide modular and extensible components to facilitate building domain specific compilers. However, since MLIR models programs at an intermediate level of abstraction, and most extant frontends are at a very high level of abstraction, the semantics and mechanics of the fundamental transformations available in MLIR are difficult to investigate and employ in and of themselves. To address these challenges, we have developed \texttt{nelli}, a lightweight, Python-embedded, domain-specific, language for generating MLIR code. \texttt{nelli} leverages existing MLIR infrastructure to develop Pythonic syntax and semantics for various MLIR features. We describe \texttt{nelli}'s design goals, discuss key details of our implementation, and demonstrate how \texttt{nelli} enables easily defining and lowering compute kernels to diverse hardware platforms.

cs.PL↗

arXiv2023

FAIR for AI: An interdisciplinary and international community building perspective

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The principles were also meant to apply to other digital assets, at a high level, and over time, the FAIR guiding principles have been re-interpreted or extended to include the software, tools, algorithms, and workflows that produce data. FAIR principles are now being adapted in the context of AI models and datasets. Here, we present the perspectives, vision, and experiences of researchers from different countries, disciplines, and backgrounds who are leading the definition and adoption of FAIR principles in their communities of practice, and discuss outcomes that may result from pursuing and incentivizing FAIR AI research. The material for this report builds on the FAIR for AI Workshop held at Argonne National Laboratory on June 7, 2022.

cs.CY↗

arXiv2023

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.

cond-mat.mtrl-sci↗

arXiv2023

Optimizing Scientific Data Transfer on Globus with Error-bounded Lossy Compression

The increasing volume and velocity of science data necessitate the frequent movement of enormous data volumes as part of routine research activities. As a result, limited wide-area bandwidth often leads to bottlenecks in research progress. However, in many cases, consuming applications (e.g., for analysis, visualization, and machine learning) can achieve acceptable performance on reduced-precision data, and thus researchers may wish to compromise on data precision to reduce transfer and storage costs. Error-bounded lossy compression presents a promising approach as it can significantly reduce data volumes while preserving data integrity based on user-specified error bounds. In this paper, we propose a novel data transfer framework called Ocelot that integrates error-bounded lossy compression into the Globus data transfer infrastructure. We note four key contributions: (1) Ocelot is the first integration of lossy compression in Globus to significantly improve scientific data transfer performance over wide area network (WAN). (2) We propose an effective machine-learning based lossy compression quality estimation model that can predict the quality of error-bounded lossy compressors, which is fundamental to ensure that transferred data are acceptable to users. (3) We develop optimized strategies to reduce the compression time overhead, counter the compute-node waiting time, and improve transfer speed for compressed files. (4) We perform evaluations using many real-world scientific applications across different domains and distributed Globus endpoints. Our experiments show that Ocelot can improve dataset transfer performance substantially, and the quality of lossy compression (time, ratio and data distortion) can be predicted accurately for the purpose of quality assurance.

cs.DC↗

arXiv2023

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 data cannot be revoked once shared, scenarios that require controlled release of data for regulatory, privacy, and legal reasons default to not sharing. Because selectively controlling what data to release is difficult, the few data-sharing consortia that exist are often built around data-sharing agreements resulting from long and tedious one-off negotiations. We introduce Data Station, a data escrow designed to enable the formation of data-sharing consortia. Data owners share data with the escrow knowing it will not be released without their consent. Data users delegate their computation to the escrow. The data escrow relies on delegated computation to execute queries without releasing the data first. Data Station leverages hardware enclaves to generate trust among participants, and exploits the centralization of data and computation to generate an audit log. We evaluate Data Station on machine learning and data-sharing applications while running on an untrusted intermediary. In addition to important qualitative advantages, we show that Data Station: i) outperforms federated learning baselines in accuracy and runtime for the machine learning application; ii) is orders of magnitude faster than alternative secure data-sharing frameworks; and iii) introduces small overhead on the critical path.

cs.DB↗

arXiv2023

The Diminishing Returns of Masked Language Models to Science

Transformer-based masked language models such as BERT, trained on general corpora, have shown impressive performance on downstream tasks. It has also been demonstrated that the downstream task performance of such models can be improved by pretraining larger models for longer on more data. In this work, we empirically evaluate the extent to which these results extend to tasks in science. We use 14 domain-specific transformer-based models (including ScholarBERT, a new 770M-parameter science-focused masked language model pretrained on up to 225B tokens) to evaluate the impact of training data, model size, pretraining and finetuning time on 12 downstream scientific tasks. Interestingly, we find that increasing model sizes, training data, or compute time does not always lead to significant improvements (i.e., >1% F1), if at all, in scientific information extraction tasks and offered possible explanations for the surprising performance differences.

cs.CL↗

arXiv2023

Hierarchical and Decentralised Federated Learning

Federated learning has shown enormous promise as a way of training ML models in distributed environments while reducing communication costs and protecting data privacy. However, the rise of complex cyber-physical systems, such as the Internet-of-Things, presents new challenges that are not met with traditional FL methods. Hierarchical Federated Learning extends the traditional FL process to enable more efficient model aggregation based on application needs or characteristics of the deployment environment (e.g., resource capabilities and/or network connectivity). It illustrates the benefits of balancing processing across the cloud-edge continuum. Hierarchical Federated Learning is likely to be a key enabler for a wide range of applications, such as smart farming and smart energy management, as it can improve performance and reduce costs, whilst also enabling FL workflows to be deployed in environments that are not well-suited to traditional FL. Model aggregation algorithms, software frameworks, and infrastructures will need to be designed and implemented to make such solutions accessible to researchers and engineers across a growing set of domains. H-FL also introduces a number of new challenges. For instance, there are implicit infrastructural challenges. There is also a trade-off between having generalised models and personalised models. If there exist geographical patterns for data (e.g., soil conditions in a smart farm likely are related to the geography of the region itself), then it is crucial that models used locally can consider their own locality in addition to a globally-learned model. H-FL will be crucial to future FL solutions as it can aggregate and distribute models at multiple levels to optimally serve the trade-off between locality dependence and global anomaly robustness.

cs.LG↗

arXiv2023

OpenHLS: High-Level Synthesis for Low-Latency Deep Neural Networks for Experimental Science

In many experiment-driven scientific domains, such as high-energy physics, material science, and cosmology, high data rate experiments impose hard constraints on data acquisition systems: collected data must either be indiscriminately stored for post-processing and analysis, thereby necessitating large storage capacity, or accurately filtered in real-time, thereby necessitating low-latency processing. Deep neural networks, effective in other filtering tasks, have not been widely employed in such data acquisition systems, due to design and deployment difficulties. We present an open source, lightweight, compiler framework, without any proprietary dependencies, OpenHLS, based on high-level synthesis techniques, for translating high-level representations of deep neural networks to low-level representations, suitable for deployment to near-sensor devices such as field-programmable gate arrays. We evaluate OpenHLS on various workloads and present a case-study implementation of a deep neural network for Bragg peak detection in the context of high-energy diffraction microscopy. We show OpenHLS is able to produce an implementation of the network with a throughput 4.8 $μ$s/sample, which is approximately a 4$\times$ improvement over the existing implementation

cs.AR↗