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Evaluating text-to-SQL systems remains largely fragile: correctness is typically judged by executing predicted and gold SQL queries on a single static database, even though the same queries may behave differently under alternative database…

Databases · Computer Science 2026-05-01 Mohammadamin Habibollah , Davood Rafiei

Large language models (LLMs) have shown impressive promise in code generation, yet their progress remains limited by the shortage of large-scale datasets that are both diverse and well-aligned with human reasoning. Most existing resources…

Machine Learning · Computer Science 2025-10-28 Amal Abed , Ivan Lukic , Jörg K. H. Franke , Frank Hutter

In different NLP tasks, detecting harmful content is crucial for online environments, especially with the growing influence of social media. However, previous research has two main issues: 1) a lack of data in low-resource settings, and 2)…

Computation and Language · Computer Science 2025-04-16 Zheng Hui , Zhaoxiao Guo , Hang Zhao , Juanyong Duan , Congrui Huang

Cyber Threat Intelligence (CTI) mining involves extracting structured insights from unstructured threat data, enabling organizations to understand and respond to evolving adversarial behavior. A key task in CTI mining is mapping threat…

Evaluating the reasoning ability of language models (LMs) is complicated by their extensive parametric world knowledge, where benchmark performance often reflects factual recall rather than genuine reasoning. Existing datasets and…

Computation and Language · Computer Science 2026-03-11 Ken Gu , Advait Bhat , Mike A Merrill , Robert West , Xin Liu , Daniel McDuff , Tim Althoff

Training large language models (LLMs) with synthetic reasoning data has become a popular approach to enhancing their reasoning capabilities, while a key factor influencing the effectiveness of this paradigm is the quality of the generated…

Artificial Intelligence · Computer Science 2026-03-24 Zhuojie Yang , Wentao Wan , Keze Wang

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Artificial Intelligence · Computer Science 2026-05-12 Haorui Wang , Jeff Guo , Lingkai Kong , Rampi Ramprasad , Philippe Schwaller , Yuanqi Du , Chao Zhang

Large language models (LLMs) have facilitated the generation of high-quality, cost-effective synthetic data for developing downstream models and conducting statistical analyses in various domains. However, the increased reliance on…

Machine Learning · Computer Science 2025-02-04 Yixin Wu , Ziqing Yang , Yun Shen , Michael Backes , Yang Zhang

Synthetic data has emerged as a crucial solution to the data scarcity bottleneck in large language models (LLMs), particularly for specialized domains and low-resource languages. However, the broader adoption of existing synthetic data…

Machine Learning · Computer Science 2026-05-12 Zhichao Shi , Cehao Yang , Hao Zhou , Xiaojun Wu , Huajie Li , Xuhui Jiang , Chengjin Xu , Yuanzhuo Wang , Jian Guo

Real-world tool-using agents operate over long-horizon workflows with recurring structure and diverse demands, where effective behavior requires not only invoking atomic tools but also abstracting, and reusing higher-level tool…

Text-to-image (T2I) generation has made remarkable progress, yet existing systems still lack intuitive control over spatial composition, object consistency, and multi-step editing. We present $\textbf{LayerCraft}$, a modular framework that…

Machine Learning · Computer Science 2025-10-20 Yuyao Zhang , Jinghao Li , Yu-Wing Tai

Recent advances in large language models (LLMs) have demonstrated transformative potential across diverse fields. While LLMs have been applied to molecular simplified molecular input line entry system (SMILES) in computer-aided synthesis…

Machine Learning · Computer Science 2026-01-07 Kenan Li , Yijian Zhang , Jin Wang , Haipeng Gan , Zeying Sun , Xiaoguang Lei , Hao Dong

Cross-domain scientific synthesis requires connecting mechanistic explanations across fragmented literature, a capability that remains challenging for both retrieval-based systems and unconstrained language models. While recent work has…

Computation and Language · Computer Science 2026-01-16 Sauhard Dubey

Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce a framework for molecular reasoning using general-purpose…

Mathematical reasoning remains challenging for LLMs due to complex logic and the need for precise computation. Existing methods enhance LLM reasoning by synthesizing datasets through problem rephrasing, but face issues with generation…

Computation and Language · Computer Science 2025-06-12 Lei Xu , Sirui Chen , Yuxuan Huang , Chaochao Lu

The advancement of large language models (LLMs) is critically dependent on the availability of high-quality datasets for Supervised Fine-Tuning (SFT), alignment tasks like Direct Preference Optimization (DPO), etc. In this work, we present…

Artificial Intelligence · Computer Science 2025-12-12 Bidyapati Pradhan , Surajit Dasgupta , Amit Kumar Saha , Omkar Anustoop , Sriram Puttagunta , Vipul Mittal , Gopal Sarda

Large language models are a form of artificial intelligence systems whose primary knowledge consists of the statistical patterns, semantic relationships, and syntactical structures of language1. Despite their limited forms of "knowledge",…

Artificial Intelligence · Computer Science 2023-10-13 Yizhen Zheng , Huan Yee Koh , Jiaxin Ju , Anh T. N. Nguyen , Lauren T. May , Geoffrey I. Webb , Shirui Pan

In the rapidly evolving area of image synthesis, a serious challenge is the presence of complex artifacts that compromise perceptual realism of synthetic images. To alleviate artifacts and improve quality of synthetic images, we fine-tune…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Bin Cao , Jianhao Yuan , Yexin Liu , Jian Li , Shuyang Sun , Jing Liu , Bo Zhao

Recent Large Language Models (LLMs) have demonstrated remarkable proficiency in code generation. However, their ability to create complex visualizations for scaled and structured data remains largely unevaluated and underdeveloped. To…

Computation and Language · Computer Science 2026-01-16 Jiajun Zhang , Jianke Zhang , Zeyu Cui , Jiaxi Yang , Lei Zhang , Binyuan Hui , Qiang Liu , Zilei Wang , Liang Wang , Junyang Lin

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…

Biomolecules · Quantitative Biology 2026-05-19 Zhiyuan Yan , Chen Liu , Boxuan Zhao , Kaiqing Lin , Jixiang Zhao , Yimi Wang , Liuzhenghao Lv , Hao Li , Shanzhuo Zhang , Li Yuan , Fanyang Mo