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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which…

Agent evaluation requires assessing complex multi-step behaviors involving tool use and intermediate reasoning, making it costly and expertise-intensive. A natural question arises: can frontier coding assistants reliably automate this…

Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively.…

Agentic AI systems are rapidly advancing toward real-world applications, yet their readiness in complex and personalized environments remains insufficiently characterized. To address this gap, we introduce PersonalHomeBench, a benchmark for…

Artificial Intelligence · Computer Science 2026-05-15 Manasa Bharadwaj , Yolanda Liu , InJung Yang , Sungil Kim , Nikhil Verma , KoKeun Kim , Kevin Ferreira , YoungJoon Kim

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Agents, language model-based systems capable of reasoning, planning, and acting are widely adopted in real-world tasks, yet how their performance changes as these systems scale across key dimensions remains underexplored. We introduce…

We present the first implementation of AI agents into the design and optimization of detectors in high-energy physics experiments via a bilevel optimization framework that vertically integrates detector geometry, front-end digitization, and…

Instrumentation and Detectors · Physics 2026-04-24 Wonyong Chung , Qibin Liu , Liangyu Wu , Julia Gonski

As AI agents integrate into enterprise applications, their evaluation demands benchmarks that reflect the complexity of real-world operations. Instead, existing benchmarks overemphasize open-domains such as code, use narrow accuracy…

Artificial Intelligence · Computer Science 2026-02-03 Amanda Dsouza , Ramya Ramakrishnan , Charles Dickens , Bhavishya Pohani , Christopher M Glaze

The rapid deployment of AI agents in commercial settings has outpaced the development of evaluation methodologies that reflect production realities. Existing benchmarks measure agent capabilities through retrospectively curated tasks with…

The emerging paradigm of AI co-scientists focuses on tasks characterized by repeatable verification, where agents explore search spaces in 'guess and check' loops. This paradigm does not extend to problems where repeated evaluation is…

LLMs and Agents have achieved impressive progress in code generation, mathematical reasoning, and scientific discovery. However, existing benchmarks primarily measure correctness, overlooking the diversity of methods behind solutions. True…

Computation and Language · Computer Science 2026-03-03 Jintian Zhang , Kewei Xu , Jingsheng Zheng , Zhuoyun Yu , Yuqi Zhu , Yujie Luo , Lanning Wei , Shuofei Qiao , Lun Du , Da Zheng , Shumin Deng , Huajun Chen , Ningyu Zhang

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…

Contemporary evaluation techniques are inadequate for agentic systems. These approaches either focus exclusively on final outcomes -- ignoring the step-by-step nature of agentic systems, or require excessive manual labour. To address this,…

Tendem is a hybrid system where AI handles structured, repeatable work and Human Experts step in when the models fail or to verify results. Each result undergoes a comprehensive quality review before delivery to the Client. To assess…

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

We introduce MLRC-Bench, a benchmark designed to quantify how effectively language agents can tackle challenging Machine Learning (ML) Research Competitions, with a focus on open research problems that demand novel methodologies. Unlike…

Generative AI agents, software systems powered by Large Language Models (LLMs), are emerging as a promising approach to automate cybersecurity tasks. Among the others, penetration testing is a challenging field due to the task complexity…

Cryptography and Security · Computer Science 2024-10-29 Luca Gioacchini , Marco Mellia , Idilio Drago , Alexander Delsanto , Giuseppe Siracusano , Roberto Bifulco

Data science agents promise to accelerate discovery and insight-generation by turning data into executable analyses and findings. Yet existing data science benchmarks fall short due to fragmented evaluation interfaces that make…

Artificial Intelligence · Computer Science 2026-01-26 Fan Nie , Junlin Wang , Harper Hua , Federico Bianchi , Yongchan Kwon , Zhenting Qi , Owen Queen , Shang Zhu , James Zou
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