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The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery, an evaluation framework for ML energy models, applied as…
Machine learning (ML) transforms healthcare by enabling predictive analytics, personalized treatments, and improved patient outcomes. However, traditional ML workflows often require specialized skills, infrastructure, and resources,…
How can applications be deployed on the cloud to achieve maximum performance? This question is challenging to address with the availability of a wide variety of cloud Virtual Machines (VMs) with different performance capabilities. The…
We present HardML, a benchmark designed to evaluate the knowledge and reasoning abilities in the fields of data science and machine learning. HardML comprises a diverse set of 100 challenging multiple-choice questions, handcrafted over a…
Large language models (LLMs) are becoming increasingly capable at small parameter scales. At the same time, conventional cloud-centric deployment introduces challenges around data privacy, latency, and cost that are acute in operational…
Recent advances in artificial intelligence research have led to a profusion of studies that apply deep learning to problems in image analysis and natural language processing among others. Additionally, the availability of open-source…
Discrete diffusion models offer global context awareness and flexible parallel generation. However, uniform random noise schedulers in standard DLLM training overlook the highly non-uniform information density inherent in real-world…
This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national…
We study how organizations should select among competing AI models when user utility, deployment costs, and compliance requirements jointly matter. Widely used capability leaderboards do not translate directly into deployment decisions,…
Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…
Comprehensive benchmarking of clustering algorithms is rendered difficult by two key factors: (i)~the elusiveness of a unique mathematical definition of this unsupervised learning approach and (ii)~dependencies between the generating models…
Medical applications of machine learning (ML) have experienced a surge in popularity in recent years. The intensive care unit (ICU) is a natural habitat for ML given the abundance of available data from electronic health records. Models…
This paper proposes DeepMarks, a novel end-to-end framework for systematic fingerprinting in the context of Deep Learning (DL). Remarkable progress has been made in the area of deep learning. Sharing the trained DL models has become a trend…
Large Language Model (LLM) has gained popularity and achieved remarkable results in open-domain tasks, but its performance in real industrial domain-specific scenarios is average due to its lack of specific domain knowledge. This issue has…
We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific…
The emergence of quantum computers as a new computational paradigm has been accompanied by speculation concerning the scope and timeline of their anticipated revolutionary changes. While quantum computing is still in its infancy, the…
We present a systematic evaluation of large language model families -- spanning both proprietary cloud APIs and locally-hosted open-source models -- on two purpose-built benchmarks for System Dynamics AI assistance: the \textbf{CLD…
Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…
The increasing energy demands and carbon footprint of large-scale AI require intelligent workload management in globally distributed data centers. Yet progress is limited by the absence of benchmarks that realistically capture the interplay…
Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…