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The Model Context Protocol (MCP) has been proposed as a unifying standard for connecting large language models (LLMs) with external tools and resources, promising the same role for AI integration that HTTP and USB played for the Web and…

We assess costs and efficiency of state-of-the-art high performance cloud computing compared to a traditional on-premises compute cluster. Our use case are atomistic simulations carried out with the GROMACS molecular dynamics (MD) toolkit…

Scaling up data, parameters, and test-time computation has been the mainstream methods to improve LLM systems (LLMsys), but their upper bounds are almost reached due to the gradual depletion of high-quality data and marginal gains obtained…

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the…

Masked autoencoding has achieved great success for self-supervised learning in the image and language domains. However, mask based pretraining has yet to show benefits for point cloud understanding, likely due to standard backbones like…

Recent advancements in data stream processing frameworks have improved real-time data handling, however, scalability remains a significant challenge affecting throughput and latency. While studies have explored this issue on local machines…

Recent years witness a trend of applying large-scale distributed deep learning algorithms (HPC AI) in both business and scientific computing areas, whose goal is to speed up the training time to achieve a state-of-the-art quality. The HPC…

In the era of big data, a large amount of noisy and incomplete data can be collected from multiple sources for prediction tasks. Combining multiple models or data sources helps to counteract the effects of low data quality and the bias of…

Existing AI system benchmarks such as MLPerf often struggle to keep pace with the rapidly evolving AI landscape, making it difficult to support informed deployment, optimization, and co-design decisions for AI systems. We suggest that…

Multivariate Time-Series (MTS) clustering discovers intrinsic grouping patterns of temporal data samples. Although time-series provide rich discriminative information, they also contain substantial redundancy, such as steady-state machine…

Increasingly, scientific discovery requires sophisticated and scalable workflows. Workflows have become the ``new applications,'' wherein multi-scale computing campaigns comprise multiple and heterogeneous executable tasks. In particular,…

The burgeoning field of Multimodal Large Language Models (MLLMs) has exhibited remarkable performance in diverse tasks such as captioning, commonsense reasoning, and visual scene understanding. However, the deployment of these large-scale…

Randomly masking and predicting word tokens has been a successful approach in pre-training language models for a variety of downstream tasks. In this work, we observe that the same idea also applies naturally to sequential decision-making,…

Earlier-stage evaluations of a new AI architecture/system need affordable benchmarks. Only using a few AI component benchmarks like MLPerfalone in the other stages may lead to misleading conclusions. Moreover, the learning dynamics are not…

In the past decade, cloud computing has emerged from a pursuit for a service-driven information and communication technology (ICT), into a signifcant fraction of the ICT market. Responding to the growth of the market, many alternative cloud…

Autoscaling has become a baseline expectation for cloud-native big data processing, and the design space has expanded beyond rule-based heuristics to include learned controllers and, most recently, large language model (LLM) agents. Yet…

Large language models (LLMs) are increasingly envisioned as decision-support tools in clinical practice, yet safe clinical reasoning demands integrating heterogeneous knowledge bases -- trials, primary studies, regulatory documents, and…

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…

Artificial intelligence (AI) and Machine learning (ML) workloads are an increasingly larger share of the compute workloads in traditional High-Performance Computing (HPC) centers and commercial cloud systems. This has led to changes in…

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by…