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Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to…

Machine Learning · Computer Science 2025-10-16 Kanishk Gandhi , Michael Y. Li , Lyle Goodyear , Agam Bhatia , Louise Li , Aditi Bhaskar , Mohammed Zaman , Noah D. Goodman

Large language models have advanced from single-turn question answering to deep research systems that iteratively decompose research questions, invoke retrieval tools, and synthesize information across multiple rounds. Evaluating such…

Artificial Intelligence · Computer Science 2026-02-18 Hao Shen , Hang Yang , Zhouhong Gu , Weili Han

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the…

Machine Learning · Computer Science 2025-10-28 Yimeng Chen , Piotr Piȩkos , Mateusz Ostaszewski , Firas Laakom , Jürgen Schmidhuber

Deep research systems represent an emerging class of agentic information retrieval methods that generate comprehensive and well-supported reports to complex queries. However, most existing frameworks rely on dynamic commercial search APIs,…

Inequality proving, crucial across diverse scientific and mathematical fields, tests advanced reasoning skills such as discovering tight bounds and strategic theorem application. This makes it a distinct, demanding frontier for large…

Artificial Intelligence · Computer Science 2025-12-16 Pan Lu , Jiayi Sheng , Luna Lyu , Jikai Jin , Tony Xia , Alex Gu , James Zou

Despite their substantial successes, AI agents continue to face fundamental challenges in terms of trustworthiness. Consider deep research agents, tasked with searching for information relevant to a given topic-while AI agents can perform…

Machine Learning · Computer Science 2026-04-21 Remy Kim , Minseung Lee , Shuo Li , Osbert Bastani

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

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while…

Computation and Language · Computer Science 2025-08-28 Run-Ze Fan , Zengzhi Wang , Pengfei Liu

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…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Large Language Models (LLMs) are increasingly capable of generating complete applications from natural language instructions, creating new opportunities in science and education. In these domains, interactive scientific demonstrations are…

Software Engineering · Computer Science 2026-05-21 Qiaosheng Chen , Yang Liu , Lei Li , Kai Chen , Qipeng Guo , Gong Cheng , Fei Yuan

Benchmarks shape progress in AI research. A useful benchmark should be both difficult and realistic: questions should challenge frontier models while also reflecting real-world usage. Yet, current paradigms face a difficulty-realism…

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

While Large Language Models (LLMs) achieve near-human performance on standard benchmarks, their capabilities often fail to generalize to complex, real-world problems. To bridge this gap, we introduce DeepQuestion, a scalable, automated…

Computation and Language · Computer Science 2026-03-02 Ali Khoramfar , Ali Ramezani , Mohammad Mahdi Mohajeri , Mohammad Javad Dousti , Majid Nili Ahmadabadi , Heshaam Faili

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…

Innovations across science and industry are evaluated using randomized trials (a.k.a. A/B tests). While simple and robust, such static designs are inefficient or infeasible for testing many hypotheses. Adaptive designs can greatly improve…

Machine Learning · Computer Science 2024-08-09 Jimmy Wang , Ethan Che , Daniel R. Jiang , Hongseok Namkoong

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on…

Open-ended question answering (QA) evaluates a model's ability to perform contextualized reasoning beyond factual recall. This challenge is especially acute in practice-based domains, where knowledge is procedural and grounded in…

Computation and Language · Computer Science 2026-01-29 Si Chen , Le Huy Khiem , Annalisa Szymanski , Ronald Metoyer , Ting Hua , Nitesh V. Chawla

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Numerical reasoning is often important to accurately understand the world. Recently, several format-specific datasets have been proposed, such as numerical reasoning in the settings of Natural Language Inference (NLI), Reading Comprehension…

Computation and Language · Computer Science 2020-05-19 Swaroop Mishra , Arindam Mitra , Neeraj Varshney , Bhavdeep Sachdeva , Chitta Baral

Benchmarks are the de facto standard for tracking progress in large language models (LLMs), yet static test sets can rapidly saturate, become vulnerable to contamination, and are costly to refresh. Scalable evaluation of open-ended items…

Computation and Language · Computer Science 2026-03-24 Yandan Zheng , Haoran Luo , Zhenghong Lin , Wenjin Liu , Luu Anh Tuan
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