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Related papers: SciDesignBench: Benchmarking and Improving Languag…

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Evaluating language models fairly is increasingly difficult as static benchmarks risk contamination by training data, obscuring whether models truly reason or recall. We introduce BeyondBench, an evaluation framework using algorithmic…

Computation and Language · Computer Science 2026-03-06 Gaurav Srivastava , Aafiya Hussain , Zhenyu Bi , Swastik Roy , Priya Pitre , Meng Lu , Morteza Ziyadi , Xuan Wang

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…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

Aiding humans with scientific designs is one of the most exciting of artificial intelligence (AI) and machine learning (ML), due to their potential for the discovery of new drugs, design of new materials and chemical compounds, etc.…

Artificial Intelligence · Computer Science 2023-06-01 Jia-Qi Yang , Yucheng Xu , Jia-Lei Shen , Kebin Fan , De-Chuan Zhan , Yang Yang

Inverse design of materials has significantly advanced target-driven formulation optimization, yet existing materials machine learning benchmarks remain limited to forward property prediction, failing to systematically evaluate inverse…

Materials Science · Physics 2026-05-27 Linhan Wu , Chenxi Wang , Chuhan Yang , Zhengwei Yang , Yuyang Liu

LLMs are increasingly deployed in autonomous laboratories, under the assumption that their domain priors and reasoning over iterative feedback let them converge on good designs in fewer iterations than feedback-only baselines. Current…

Machine Learning · Computer Science 2026-05-18 Marilyn Zhang , Tianfeng Chen , Fabián Barzuna , Ankita Rathod , Mark E. Whiting

Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs are ineffective in this problem space because: (i) most models lack polymer-specific knowledge, and (ii) existing aligned…

Computation and Language · Computer Science 2026-05-28 Dikshya Mohanty , Mohammad Saqib Hasan , Syed Mostofa Monsur , Size Zheng , Benjamin Hsiao , Niranjan Balasubramanian

Large Language Models have demonstrated strong performance on many established reasoning benchmarks. However, these benchmarks primarily evaluate structured skills like quantitative problem-solving, leaving a gap in assessing flexible,…

Computation and Language · Computer Science 2025-10-30 Deepon Halder , Alan Saji , Thanmay Jayakumar , Ratish Puduppully , Anoop Kunchukuttan , Raj Dabre

Seed science is essential for modern agriculture, directly influencing crop yields and global food security. However, challenges such as interdisciplinary complexity and high costs with limited returns hinder progress, leading to a shortage…

Computation and Language · Computer Science 2025-05-20 Jie Ying , Zihong Chen , Zhefan Wang , Wanli Jiang , Chenyang Wang , Zhonghang Yuan , Haoyang Su , Huanjun Kong , Fan Yang , Nanqing Dong

Inverse design in science and engineering involves determining optimal design parameters that achieve desired performance outcomes, a process often hindered by the complexity and high dimensionality of design spaces, leading to significant…

Machine Learning · Computer Science 2025-02-24 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

Learned representations of scientific documents can serve as valuable input features for downstream tasks without further fine-tuning. However, existing benchmarks for evaluating these representations fail to capture the diversity of…

Computation and Language · Computer Science 2023-11-14 Amanpreet Singh , Mike D'Arcy , Arman Cohan , Doug Downey , Sergey Feldman

We explore a new language model inversion problem under strict black-box, zero-shot, and limited data conditions. We propose a novel training-free framework that reconstructs prompts using only a limited number of text outputs from a…

Computation and Language · Computer Science 2025-02-18 Hanqing Li , Diego Klabjan

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

We introduce ShapeCodeBench, a synthetic benchmark for perception-to-program reconstruction: given a rendered raster image, a model must emit an executable drawing program that a deterministic evaluator re-renders and compares with the…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Shivam Kumar

Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs. But do their capabilities change depending on the input modality? In this work, we propose…

Artificial Intelligence · Computer Science 2024-08-20 Deqing Fu , Ruohao Guo , Ghazal Khalighinejad , Ollie Liu , Bhuwan Dhingra , Dani Yogatama , Robin Jia , Willie Neiswanger

AI scientist systems are increasingly deployed for autonomous research, yet their academic integrity has never been systematically evaluated. We introduce SCIINTEGRITY-BENCH, the first benchmark designed around a dilemmatic evaluation…

Artificial Intelligence · Computer Science 2026-05-12 Zonglin Yang , Xingtong Liu , Xinyan Xu

The conceptual design of Blended Wing Body (BWB) aircraft is often constrained by the high computational cost of resolving complex aerodynamics over a high-dimensional design space. While deep learning offers a pathway to rapid aerodynamic…

Machine Learning · Computer Science 2026-05-19 Nicholas Sung , Steven Spreizer , Mohamed Elrefaie , Matthew C. Jones , Faez Ahmed

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains…

Large Language Models (LLMs) have recently achieved impressive performance in math and reasoning benchmarks. However, they often struggle with logic problems and puzzles that are relatively easy for humans. To further investigate this, we…

Artificial Intelligence · Computer Science 2025-09-16 Nasim Borazjanizadeh , Roei Herzig , Trevor Darrell , Rogerio Feris , Leonid Karlinsky

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

Large Language Models (LLMs) have achieved remarkable progress in recent years, driving their adoption across a wide range of domains, including computer security. In reverse engineering, LLMs are increasingly applied to critical tasks such…

Cryptography and Security · Computer Science 2026-05-01 Jun Yeon Won , Xin Jin , Shiqing Ma , Zhiqiang Lin
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