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Estimating item difficulty through field-testing is often resource-intensive and time-consuming. As such, there is strong motivation to develop methods that can predict item difficulty at scale using only the item content. Large Language…

Computers and Society · Computer Science 2026-03-10 Pooya Razavi , Sonya Powers

Material synthesis planning (MSP) remains a fundamental and underexplored bottleneck in AI-driven materials discovery, as it requires not only identifying suitable precursor materials but also designing coherent sequences of synthesis…

Artificial Intelligence · Computer Science 2026-03-03 Heewoong Noh , Gyoung S. Na , Namkyeong Lee , Chanyoung Park

In machine learning, Neural Architecture Search (NAS) requires domain knowledge of model design and a large amount of trial-and-error to achieve promising performance. Meanwhile, evolutionary algorithms have traditionally relied on fixed…

Neural and Evolutionary Computing · Computer Science 2025-04-04 YiMing Yu , Jason Zutty

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design…

Neural and Evolutionary Computing · Computer Science 2023-11-28 Fei Liu , Xialiang Tong , Mingxuan Yuan , Qingfu Zhang

Retrieval-Augmented Large Language Models (LLMs), which incorporate the non-parametric knowledge from external knowledge bases into LLMs, have emerged as a promising approach to enhancing response accuracy in several tasks, such as…

Computation and Language · Computer Science 2024-03-29 Soyeong Jeong , Jinheon Baek , Sukmin Cho , Sung Ju Hwang , Jong C. Park

Large language models (LLMs) exhibit remarkable capabilities but often produce inaccurate responses, as they rely solely on their embedded knowledge. Retrieval-Augmented Generation (RAG) enhances LLMs by incorporating an external…

Computation and Language · Computer Science 2024-09-25 Nitin Aravind Birur , Tanay Baswa , Divyanshu Kumar , Jatan Loya , Sahil Agarwal , Prashanth Harshangi

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Optimization algorithms are widely employed to tackle complex problems, but designing them manually is often labor-intensive and requires significant expertise. Global placement is a fundamental step in electronic design automation (EDA).…

Neural and Evolutionary Computing · Computer Science 2025-04-28 Xufeng Yao , Jiaxi Jiang , Yuxuan Zhao , Peiyu Liao , Yibo Lin , Bei Yu

Multimodal Large Language Models (MLLMs) have achieved remarkable performance by aligning pretrained visual representations with the linguistic knowledge embedded in Large Language Models (LLMs). However, existing approaches typically rely…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Ying Liu , Yudong Han , Kean Shi , Liyuan Pan

Self-Refinement refers to a model's ability to revise its own responses to produce improved outputs. This capability can also serve as a fundamental mechanism for Self-Improvement, for example, by reconstructing datasets with refined…

Computation and Language · Computer Science 2025-10-28 Yongcheng Zeng , Xinyu Cui , Xuanfa Jin , Qirui Mi , Guoqing Liu , Zexu Sun , Mengyue Yang , Dong Li , Weiyu Ma , Ning Yang , Jian Zhao , Jianye Hao , Haifeng Zhang , Jun Wang

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Recently, large language models (LLMs) have demonstrated impressive capabilities in dealing with new tasks with the help of in-context learning (ICL). In the study of Large Vision-Language Models (LVLMs), when implementing ICL, researchers…

Computation and Language · Computer Science 2024-12-11 Ellen Yi-Ge , Jiechao Gao , Wei Han , Wei Zhu

Large language models hold promise as scientific assistants, yet existing agents either rely solely on algorithm evolution or on deep research in isolation, both of which face critical limitations. Pure algorithm evolution, as in…

Artificial Intelligence · Computer Science 2025-10-08 Gang Liu , Yihan Zhu , Jie Chen , Meng Jiang

Pre-trained language models (PLMs) show impressive performance in various downstream NLP tasks. However, pre-training large language models demands substantial memory and training compute. Furthermore, due to the substantial resources…

Computation and Language · Computer Science 2024-04-01 HyunJin Kim , Young Jin Kim , JinYeong Bak

While current large language models (LLMs) perform well on many knowledge-related tasks, they are limited by relying on their parameters as an implicit storage mechanism. As a result, they struggle with memorizing rare events and with…

Computation and Language · Computer Science 2025-04-18 Ali Modarressi , Abdullatif Köksal , Ayyoob Imani , Mohsen Fayyaz , Hinrich Schütze

Dataset curation has become a basis for strong large language model (LLM) performance. While various rule-based filtering heuristics exist for English and multilingual datasets, model-based filtering techniques have primarily focused on…

Computation and Language · Computer Science 2026-02-20 Bettina Messmer , Vinko Sabolčec , Martin Jaggi

Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases. Despite the promising advances, data-driven methods face…

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains…

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