arXiv subjects

Carl Kesselman

Publications and source records attributed to Carl Kesselman.

16 recordsLinked to original sources

arXiv2026

Reproducibility Beyond Artifacts: Interactional Support for Collaborative Machine Learning

Machine learning (ML) reproducibility is often framed as a problem of incomplete artifact recording. This framing leads to systems that prioritize capturing datasets, code, configurations, and execution environments. However, in collaborative and interdisciplinary ML projects, reproducibility failures often arise not only from missing artifacts but from difficulties in interpreting prior work, aligning evolving components, and reconstructing experimental intent over time. Drawing on a 19-month deployment of a data-centric ML management system in a clinical research project, we identify recurring interactional breakdowns that persist despite comprehensive structural traceability. Based on these findings, we propose a two-layer socio-technical ML management system combining lifecycle-aware artifact infrastructure with an interactional layer designed to mediate coordination, explanation, and shared understanding. We discuss how an AI-mediated semantic interface reframes reproducibility as an ongoing socio-technical accomplishment rather than a static property of recorded traces, and outline implications for human-centered ML infrastructure design.

cs.HC↗

arXiv2025

From Data to Decision: Data-Centric Infrastructure for Reproducible ML in Collaborative eScience

Reproducibility remains a central challenge in machine learning (ML), especially in collaborative eScience projects where teams iterate over data, features, and models. Current ML workflows are often dynamic yet fragmented, relying on informal data sharing, ad hoc scripts, and loosely connected tools. This fragmentation impedes transparency, reproducibility, and the adaptability of experiments over time. This paper introduces a data-centric framework for lifecycle-aware reproducibility, centered around six structured artifacts: Dataset, Feature, Workflow, Execution, Asset, and Controlled Vocabulary. These artifacts formalize the relationships between data, code, and decisions, enabling ML experiments to be versioned, interpretable, and traceable over time. The approach is demonstrated through a clinical ML use case of glaucoma detection, illustrating how the system supports iterative exploration, improves reproducibility, and preserves the provenance of collaborative decisions across the ML lifecycle.

cs.LG↗

arXiv2025

Computational Grids

In this introductory chapter, we lay the groundwork for the rest of the book by providing a more detailed picture of the expected purpose, shape, and architecture of future grid systems. We structure the chapter in terms of six questions that we believe are central to this discussion: Why do we need computational grids? What types of applications will grids be used for? Who will use grids? How will grids be used? What is involved in building a grid? And, what problems must be solved to make grids commonplace? We provide an overview of each of these issues here, referring to subsequent chapters for more detailed discussion.

cs.DC↗

arXiv2024

Deriva-ML: A Continuous FAIRness Approach to Reproducible Machine Learning Models

Increasingly, artificial intelligence (AI) and machine learning (ML) are used in eScience applications [9]. While these approaches have great potential, the literature has shown that ML-based approaches frequently suffer from results that are either incorrect or unreproducible due to mismanagement or misuse of data used for training and validating the models [12, 15]. Recognition of the necessity of high-quality data for correct ML results has led to data-centric ML approaches that shift the central focus from model development to creation of high-quality data sets to train and validate the models [14, 20]. However, there are limited tools and methods available for data-centric approaches to explore and evaluate ML solutions for eScience problems which often require collaborative multidisciplinary teams working with models and data that will rapidly evolve as an investigation unfolds [1]. In this paper, we show how data management tools based on the principle that all of the data for ML should be findable, accessible, interoperable and reusable (i.e. FAIR [26]) can significantly improve the quality of data that is used for ML applications. When combined with best practices that apply these tools to the entire life cycle of an ML-based eScience investigation, we can significantly improve the ability of an eScience team to create correct and reproducible ML solutions. We propose an architecture and implementation of such tools and demonstrate through two use cases how they can be used to improve ML-based eScience investigations.

cs.LG↗

arXiv2022

Sharing Begins at Home

The broad sharing of research data is widely viewed as of critical importance for the speed, quality, accessibility, and integrity of science. Despite increasing efforts to encourage data sharing, both the quality of shared data, and the frequency of data reuse, remain stubbornly low. We argue here that a major reason for this unfortunate state of affairs is that the organization of research results in the findable, accessible, interoperable, and reusable (FAIR) form required for reuse is too often deferred to the end of a research project, when preparing publications, by which time essential details are no longer accessible. Thus, we propose an approach to research informatics that applies FAIR principles continuously, from the very inception of a research project, and ubiquitously, to every data asset produced by experiment or computation. We suggest that this seemingly challenging task can be made feasible by the adoption of simple tools, such as lightweight identifiers (to ensure that every data asset is findable), packaging methods (to facilitate understanding of data contents), data access methods, and metadata organization and structuring tools (to support schema development and evolution). We use an example from experimental neuroscience to illustrate how these methods can work in practice.

cs.DL↗

arXiv2022

The History of the Grid

With the widespread availability of high-speed networks, it becomes feasible to outsource computing to remote providers and to federate resources from many locations. Such observations motivated the development, from the mid-1990s onwards, of a range of innovative Grid technologies, applications, and infrastructures. We review the history, current status, and future prospects for Grid computing.

cs.DC↗

arXiv2022

CUF-Links: Continuous and Ubiquitous FAIRness Linkages for reproducible research

Despite much creative work on methods and tools, reproducibility -- the ability to repeat the computational steps used to obtain a research result -- remains elusive. One reason for these difficulties is that extant tools for capturing research processes do not align well with the rich working practices of scientists. We advocate here for simple mechanisms that can be integrated easily with current work practices to capture basic information about every data product consumed or produced in a project. We argue that by thus extending the scope of findable, accessible, interoperable, and reusable (FAIR) data in both time and space to enable the creation of a continuous chain of continuous and ubiquitous FAIRness linkages (CUF-Links) from inputs to outputs, such mechanisms can provide a strong foundation for documenting the provenance linkages that are essential to reproducible research. We give examples of mechanisms that can achieve these goals, and review how they have been applied in practice.

cs.SE↗

arXiv2021

Model-Adaptive Interface Generation for Data-Driven Discovery

Discovery of new knowledge is increasingly data-driven, predicated on a team's ability to collaboratively create, find, analyze, retrieve, and share pertinent datasets over the duration of an investigation. This is especially true in the domain of scientific discovery where generation, analysis, and interpretation of data are the fundamental mechanisms by which research teams collaborate to achieve their shared scientific goal. Data-driven discovery in general, and scientific discovery in particular, is distinguished by complex and diverse data models and formats that evolve over the lifetime of an investigation. While databases and related information systems have the potential to be valuable tools in the discovery process, developing effective interfaces for data-driven discovery remains a roadblock to the application of database technology as an essential tool in scientific investigations. In this paper, we present a model-adaptive approach to creating interaction environments for data-driven discovery of scientific data that automatically generates interactive user interfaces for editing, searching, and viewing scientific data based entirely on introspection of an extended relational data model. We have applied model-adaptive interface generation to many active scientific investigations spanning domains of proteomics, bioinformatics, neuroscience, occupational therapy, stem cells, genitourinary, craniofacial development, and others. We present the approach, its implementation, and its evaluation through analysis of its usage in diverse scientific settings.

cs.HC↗

arXiv2020

Translating the Grid: How a Translational Approach Shaped the Development of Grid Computing

A growing gap between progress in biological knowledge and improved health outcomes inspired the new discipline of translational medicine, in which the application of new knowledge is an explicit part of a research plan. Abramson and Parashar argue that a similar gap between complex computational technologies and ever-more-challenging applications demands an analogous discipline of translational computer science, in which the deliberate movement of research results into large-scale practice becomes a central research focus rather than an afterthought. We revisit from this perspective the development and application of grid computing from the mid-1990s onwards, and find that a translational framing is useful for understanding the technology's development and impact. We discuss how the development of grid computing infrastructure, and the Globus Toolkit, in particular, benefited from a translational approach. We identify lessons learned that can be applied to other translational computer science initiatives.

cs.DC↗

arXiv2016

ERMrest: an entity-relationship data storage service for web-based, data-oriented collaboration

Scientific discovery is increasingly dependent on a scientist's ability to acquire, curate, integrate, analyze, and share large and diverse collections of data. While the details vary from domain to domain, these data often consist of diverse digital assets (e.g. image files, sequence data, or simulation outputs) that are organized with complex relationships and context which may evolve over the course of an investigation. In addition, discovery is often collaborative, such that sharing of the data and its organizational context is highly desirable. Common systems for managing file or asset metadata hide their inherent relational structures, while traditional relational database systems do not extend to the distributed collaborative environment often seen in scientific investigations. To address these issues, we introduce ERMrest, a collaborative data management service which allows general entity-relationship modeling of metadata manipulated by RESTful access methods. We present the design criteria, architecture, and service implementation, as well as describe an ecosystem of tools and services that we have created to integrate metadata into an end-to-end scientific data life cycle. ERMrest has been deployed to hundreds of users across multiple scientific research communities and projects. We present two representative use cases: an international consortium and an early-phase, multidisciplinary research project.

cs.DB↗

arXiv2010

Montage: a grid portal and software toolkit for science-grade astronomical image mosaicking

Montage is a portable software toolkit for constructing custom, science-grade mosaics by composing multiple astronomical images. The mosaics constructed by Montage preserve the astrometry (position) and photometry (intensity) of the sources in the input images. The mosaic to be constructed is specified by the user in terms of a set of parameters, including dataset and wavelength to be used, location and size on the sky, coordinate system and projection, and spatial sampling rate. Many astronomical datasets are massive, and are stored in distributed archives that are, in most cases, remote with respect to the available computational resources. Montage can be run on both single- and multi-processor computers, including clusters and grids. Standard grid tools are used to run Montage in the case where the data or computers used to construct a mosaic are located remotely on the Internet. This paper describes the architecture, algorithms, and usage of Montage as both a software toolkit and as a grid portal. Timing results are provided to show how Montage performance scales with number of processors on a cluster computer. In addition, we compare the performance of two methods of running Montage in parallel on a grid.

astro-ph.IM↗

arXiv2007

The Earth System Grid: Supporting the Next Generation of Climate Modeling Research

Understanding the earth's climate system and how it might be changing is a preeminent scientific challenge. Global climate models are used to simulate past, present, and future climates, and experiments are executed continuously on an array of distributed supercomputers. The resulting data archive, spread over several sites, currently contains upwards of 100 TB of simulation data and is growing rapidly. Looking toward mid-decade and beyond, we must anticipate and prepare for distributed climate research data holdings of many petabytes. The Earth System Grid (ESG) is a collaborative interdisciplinary project aimed at addressing the challenge of enabling management, discovery, access, and analysis of these critically important datasets in a distributed and heterogeneous computational environment. The problem is fundamentally a Grid problem. Building upon the Globus toolkit and a variety of other technologies, ESG is developing an environment that addresses authentication, authorization for data access, large-scale data transport and management, services and abstractions for high-performance remote data access, mechanisms for scalable data replication, cataloging with rich semantic and syntactic information, data discovery, distributed monitoring, and Web-based portals for using the system.

cs.CE↗

arXiv2003

Security for Grid Services

Grid computing is concerned with the sharing and coordinated use of diverse resources in distributed "virtual organizations." The dynamic and multi-institutional nature of these environments introduces challenging security issues that demand new technical approaches. In particular, one must deal with diverse local mechanisms, support dynamic creation of services, and enable dynamic creation of trust domains. We describe how these issues are addressed in two generations of the Globus Toolkit. First, we review the Globus Toolkit version 2 (GT2) approach; then, we describe new approaches developed to support the Globus Toolkit version 3 (GT3) implementation of the Open Grid Services Architecture, an initiative that is recasting Grid concepts within a service oriented framework based on Web services. GT3's security implementation uses Web services security mechanisms for credential exchange and other purposes, and introduces a tight least-privilege model that avoids the need for any privileged network service.

cs.CR↗

arXiv2003

A Community Authorization Service for Group Collaboration

In "Grids" and "collaboratories," we find distributed communities of resource providers and resource consumers, within which often complex and dynamic policies govern who can use which resources for which purpose. We propose a new approach to the representation, maintenance, and enforcement of such policies that provides a scalable mechanism for specifying and enforcing these policies. Our approach allows resource providers to delegate some of the authority for maintaining fine-grained access control policies to communities, while still maintaining ultimate control over their resources. We also describe a prototype implementation of this approach and an application in a data management context.

cs.DC↗

arXiv2001

The Anatomy of the Grid - Enabling Scalable Virtual Organizations

"Grid" computing has emerged as an important new field, distinguished from conventional distributed computing by its focus on large-scale resource sharing, innovative applications, and, in some cases, high-performance orientation. In this article, we define this new field. First, we review the "Grid problem," which we define as flexible, secure, coordinated resource sharing among dynamic collections of individuals, institutions, and resources-what we refer to as virtual organizations. In such settings, we encounter unique authentication, authorization, resource access, resource discovery, and other challenges. It is this class of problem that is addressed by Grid technologies. Next, we present an extensible and open Grid architecture, in which protocols, services, application programming interfaces, and software development kits are categorized according to their roles in enabling resource sharing. We describe requirements that we believe any such mechanisms must satisfy, and we discuss the central role played by the intergrid protocols that enable interoperability among different Grid systems. Finally, we discuss how Grid technologies relate to other contemporary technologies, including enterprise integration, application service provider, storage service provider, and peer-to-peer computing. We maintain that Grid concepts and technologies complement and have much to contribute to these other approaches.

cs.AR↗

arXiv2001

Secure, Efficient Data Transport and Replica Management for High-Performance Data-Intensive Computing

An emerging class of data-intensive applications involve the geographically dispersed extraction of complex scientific information from very large collections of measured or computed data. Such applications arise, for example, in experimental physics, where the data in question is generated by accelerators, and in simulation science, where the data is generated by supercomputers. So-called Data Grids provide essential infrastructure for such applications, much as the Internet provides essential services for applications such as e-mail and the Web. We describe here two services that we believe are fundamental to any Data Grid: reliable, high-speed transporet and replica management. Our high-speed transport service, GridFTP, extends the popular FTP protocol with new features required for Data Grid applciations, such as striping and partial file access. Our replica management service integrates a replica catalog with GridFTP transfers to provide for the creation, registration, location, and management of dataset replicas. We present the design of both services and also preliminary performance results. Our implementations exploit security and other services provided by the Globus Toolkit.

cs.DC↗