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Geospatial modeling provides critical solutions for pressing global challenges such as sustainability and climate change. Existing large language model (LLM)-based algorithm discovery frameworks, such as AlphaEvolve, excel at evolving…

Artificial Intelligence · Computer Science 2025-09-29 Peng Luo , Xiayin Lou , Yu Zheng , Zhuo Zheng , Stefano Ermon

Retrieval-augmented language models show promise in addressing issues like outdated information and hallucinations in language models (LMs). However, current research faces two main problems: 1) determining what information to retrieve, and…

Computation and Language · Computer Science 2023-10-24 Jingcheng Deng , Liang Pang , Huawei Shen , Xueqi Cheng

As artificial intelligence (AI) gains greater adoption in a wide variety of applications, it has immense potential to contribute to mathematical discovery, by guiding conjecture generation, constructing counterexamples, assisting in…

Artificial Intelligence · Computer Science 2023-10-27 Hassen Saidi , Susmit Jha , Tuhin Sahai

We present Innovator-VL, a scientific multimodal large language model designed to advance understanding and reasoning across diverse scientific domains while maintaining excellent performance on general vision tasks. Contrary to the trend…

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

Autonomous agents powered by large language models (LLMs) have the potential to significantly enhance human productivity by reasoning, using tools, and executing complex tasks in diverse environments. However, current approaches to…

We introduce ShinkaEvolve: a new open-source framework leveraging large language models (LLMs) to advance scientific discovery with state-of-the-art performance and unprecedented efficiency. Recent advances in scaling inference time compute…

Computation and Language · Computer Science 2025-09-25 Robert Tjarko Lange , Yuki Imajuku , Edoardo Cetin

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Artificial Intelligence · Computer Science 2025-09-29 Zhuo Yang , Daolang Wang , Lingli Ge , Beilun Wang , Tianfan Fu , Yuqiang Li

Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific applications. In many AI for science tasks, labeled data are…

Biomolecules · Quantitative Biology 2026-01-28 Kun Li , Longtao Hu , Yida Xiong , Jiajun Yu , Hongzhi Zhang , Jiameng Chen , Xiantao Cai , Jia Wu , Wenbin Hu

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited…

Artificial Intelligence · Computer Science 2024-10-29 Xiang Hu , Hongyu Fu , Jinge Wang , Yifeng Wang , Zhikun Li , Renjun Xu , Yu Lu , Yaochu Jin , Lili Pan , Zhenzhong Lan

We study how large language models can be used to evolve inventory policies in online, non-stationary environments. Our work is motivated by recent advances in LLM-based evolutionary search, such as AlphaEvolve, which demonstrates strong…

Machine Learning · Computer Science 2026-05-12 Chenyu Huang , Jianghao Lin , Zhengyang Tang , Bo Jiang , Ruoqing Jiang , Benyou Wang , Lai Wei

Large language models (LLMs) have been widely integrated into information retrieval to advance traditional techniques. However, effectively enabling LLMs to seek accurate knowledge in complex tasks remains a challenge due to the complexity…

Computation and Language · Computer Science 2025-05-27 Zhengliang Shi , Lingyong Yan , Dawei Yin , Suzan Verberne , Maarten de Rijke , Zhaochun Ren

Complex chemical space and limited knowledge scope with biases holds immense challenge for human scientists, yet in automated materials discovery. Existing intelligent methods relies more on numerical computation, leading to inefficient…

Machine Learning · Computer Science 2025-04-15 Zheyuan Lai , Yingming Pu

Discovering improved policy optimization algorithms for language models remains a costly manual process requiring repeated mechanism-level modification and validation. Unlike simple combinatorial code search, this problem requires searching…

Computation and Language · Computer Science 2026-03-26 Sirui Xia , Yikai Zhang , Aili Chen , Siye Wu , Siyu Yuan , Yanghua Xiao

With the rapid and continuous increase in academic publications, identifying high-quality research has become an increasingly pressing challenge. While recent methods leveraging Large Language Models (LLMs) for automated paper evaluation…

Information Retrieval · Computer Science 2025-11-17 Wuqiang Zheng , Yiyan Xu , Xinyu Lin , Chongming Gao , Wenjie Wang , Fuli Feng

Prompt engineering represents a critical bottleneck to harness the full potential of Large Language Models (LLMs) for solving complex tasks, as it requires specialized expertise, significant trial-and-error, and manual intervention. This…

Artificial Intelligence · Computer Science 2025-07-24 Anirudh Nair , Adi Banerjee , Laurent Mombaerts , Matthew Hagen , Tarik Borogovac

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

Reinforcement Learning with Verifiable Rewards (RLVR) enhances Large Language Model (LLM) reasoning but suffers from advantage collapse on ``hard samples'' where all rollouts fail. This lack of variance eliminates crucial learning signals.…

Machine Learning · Computer Science 2026-05-08 Xinyu Lu , Kaiqi Zhang , Jinglin Yang , Boxi Cao , Yaojie Lu , Hongyu Lin , Min He , Xianpei Han , Le Sun

Evolutionary agentic systems intensify the trade-off between computational efficiency and reasoning capability by repeatedly invoking large language models (LLMs) during inference. This setting raises a central question: how can an agent…

Computation and Language · Computer Science 2026-04-27 Pretam Ray , Pratik Prabhanjan Brahma , Zicheng Liu , Emad Barsoum

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang