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Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis…

Machine Learning · Computer Science 2025-10-22 Hirofumi Tsuruta , Masaya Kumagai

Many real-world planning domains involve diverse information sources, external entities, and variable-reliability agents, all of which may impact the confidence, risk, and sensitivity of plans. Humans reviewing a plan may lack context about…

Artificial Intelligence · Computer Science 2020-11-04 Scott E. Friedman , Robert P. Goldman , Richard G. Freedman , Ugur Kuter , Christopher Geib , Jeffrey Rye

As the number of novel data-driven approaches to material science continues to grow, it is crucial to perform consistent quality, reliability and applicability assessments of model performance. In this paper, we benchmark the Materials…

Materials Science · Physics 2021-08-04 Pierre-Paul De Breuck , Matthew L. Evans , Gian-Marco Rignanese

As multi-modal large language models (MLLMs) frequently exhibit errors when solving scientific problems, evaluating the validity of their reasoning processes is critical for ensuring reliability and uncovering fine-grained model weaknesses.…

Artificial Intelligence · Computer Science 2025-03-11 Jiaxin Ai , Pengfei Zhou , Zhaopan Xu , Ming Li , Fanrui Zhang , Zizhen Li , Jianwen Sun , Yukang Feng , Baojin Huang , Zhongyuan Wang , Kaipeng Zhang

We introduce ProofGrid, a benchmark suite for evaluating LLM reasoning through machine-checkable proofs rather than final answers alone. ProofGrid contains 15 tasks spanning proof writing, proof checking, proof masking, and proof…

Logic in Computer Science · Computer Science 2026-05-14 Konstantine Arkoudas , Serafim Batzoglou

Recent advances in de novo protein binder design have enabled increasing experimental validation, yet reported in silico metrics remain difficult to interpret or compare across studies due to non-standardized evaluation protocols. We…

Quantitative Methods · Quantitative Biology 2026-05-25 Cong Liu , Milong Ren , Jiaqi Guan , Chengyue Gong , Jinyuan Sun , Xinshi Chen , Wenzhi Xiao

Materials synthesis procedures are predominantly documented as narrative text in protocols and lab notebooks, rendering them inaccessible to conventional structured data optimization. This language-native nature poses a critical challenge…

Databases · Computer Science 2026-01-22 Yuze Liu , Zhaoyuan Zhang , Xiangsheng Zeng , Yihe Zhang , Leping Yu , Liu Yang , Lejia Wang , Xi Yu

Reasoning is central to a wide range of intellectual activities, and while the capabilities of large language models (LLMs) continue to advance, their performance in reasoning tasks remains limited. The processes and mechanisms underlying…

Artificial Intelligence · Computer Science 2024-10-07 Ippei Fujisawa , Sensho Nobe , Hiroki Seto , Rina Onda , Yoshiaki Uchida , Hiroki Ikoma , Pei-Chun Chien , Ryota Kanai

Models like OpenAI-o3 pioneer visual grounded reasoning by dynamically referencing visual regions, just like human "thinking with images". However, no benchmark exists to evaluate these capabilities holistically. To bridge this gap, we…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Haochen Wang , Xiangtai Li , Zilong Huang , Anran Wang , Jiacong Wang , Tao Zhang , Jiani Zheng , Sule Bai , Zijian Kang , Jiashi Feng , Zhuochen Wang , Zhaoxiang Zhang

Large language models (LLM) often hallucinate, and while adding citations is a common solution, it is frequently insufficient for accountability as users struggle to verify how a cited source supports a generated claim. Existing methods are…

Computation and Language · Computer Science 2026-04-14 Jingxuan Wei , Xingyue Wang , Yanghaoyu Liao , Jie Dong , Yuchen Liu , Caijun Jia , Bihui Yu , Junnan Zhu

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…

Numerical Analysis · Mathematics 2021-10-22 Felipe Rocha , Simone Deparis , Pablo Antolin , Annalisa Buffa

Reasoning is an essential capacity for large language models (LLMs) to address complex tasks, where the identification of process errors is vital for improving this ability. Recently, process-level reward models (PRMs) were proposed to…

Artificial Intelligence · Computer Science 2025-03-18 Zhaopan Xu , Pengfei Zhou , Jiaxin Ai , Wangbo Zhao , Kai Wang , Xiaojiang Peng , Wenqi Shao , Hongxun Yao , Kaipeng Zhang

Process Reward Models (PRMs) aim to improve multi-step reasoning in Large Language Models (LLMs) by supervising intermediate steps and identifying errors. However, building effective PRMs remains challenging due to the lack of scalable,…

Artificial Intelligence · Computer Science 2025-10-17 Yao Zhang , Yu Wu , Haowei Zhang , Weiguo Li , Haokun Chen , Jingpei Wu , Guohao Li , Zhen Han , Volker Tresp

Successful data-driven science requires complex data engineering pipelines to clean, transform, and alter data in preparation for machine learning, and robust results can only be achieved when each step in the pipeline can be justified, and…

Databases · Computer Science 2024-04-08 Adriane Chapman , Luca Lauro , Paolo Missier , Riccardo Torlone

As language models regularly make mistakes when solving math problems, automated identification of errors in the reasoning process becomes increasingly significant for their scalable oversight. In this paper, we introduce ProcessBench for…

Artificial Intelligence · Computer Science 2025-05-27 Chujie Zheng , Zhenru Zhang , Beichen Zhang , Runji Lin , Keming Lu , Bowen Yu , Dayiheng Liu , Jingren Zhou , Junyang Lin

While large language models (LLMs) have significantly advanced mathematical reasoning, Process Reward Models (PRMs) have been developed to evaluate the logical validity of reasoning steps. However, PRMs still struggle with…

Artificial Intelligence · Computer Science 2025-02-21 Jiachen Zhu , Congmin Zheng , Jianghao Lin , Kounianhua Du , Ying Wen , Yong Yu , Jun Wang , Weinan Zhang

Reasoning is a critical capability of multimodal large language models (MLLMs) for solving complex multimodal tasks, and judging the correctness of reasoning steps is crucial for improving this capability. Recently, MLLM-based process…

Artificial Intelligence · Computer Science 2025-08-07 Yue Zhou , Yi Chang , Yuan Wu

While model-based verifiers are essential for scaling Reinforcement Learning with Verifiable Rewards (RLVR), current outcome-centric verification paradigms primarily focus on the consistency between the final result and the ground truth,…

Computation and Language · Computer Science 2026-02-13 Xiangfeng Wang , Hangyu Guo , Yanlin Lai , Mitt Huang , Liang Zhao , Chengyuan Yao , Yinmin Zhang , Qi Han , Xiaoxiao Ren , Chun Yuan , Tong Xu , Zheng Ge , Xiangyu Zhang , Daxin Jiang

Complex multi-step reasoning tasks, such as solving mathematical problems or generating code, remain a significant hurdle for even the most advanced large language models (LLMs). Verifying LLM outputs with an Outcome Reward Model (ORM) is a…

Computation and Language · Computer Science 2024-12-13 Liangchen Luo , Yinxiao Liu , Rosanne Liu , Samrat Phatale , Meiqi Guo , Harsh Lara , Yunxuan Li , Lei Shu , Yun Zhu , Lei Meng , Jiao Sun , Abhinav Rastogi

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

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