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Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge…

Protein language models have excelled in a variety of tasks, ranging from structure prediction to protein engineering. However, proteins are highly diverse in functions and structures, and current state-of-the-art models including the…

Biomolecules · Quantitative Biology 2023-02-27 Chang Ma , Haiteng Zhao , Lin Zheng , Jiayi Xin , Qintong Li , Lijun Wu , Zhihong Deng , Yang Lu , Qi Liu , Lingpeng Kong

Modern Network Intrusion Detection Systems generate vast volumes of low-level alerts, yet these outputs remain semantically fragmented, requiring labor-intensive manual correlation with high-level adversarial behaviors. Existing solutions…

Cryptography and Security · Computer Science 2025-10-17 Fanchao Meng , Jiaping Gui , Yunbo Li , Yue Wu

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale…

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in…

Machine Learning · Computer Science 2024-08-27 Aaron Klein , Jacek Golebiowski , Xingchen Ma , Valerio Perrone , Cedric Archambeau

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

As one of the most advanced techniques in AI, Retrieval-Augmented Generation (RAG) can offer reliable and up-to-date external knowledge, providing huge convenience for numerous tasks. Particularly in the era of AI-Generated Content (AIGC),…

Computation and Language · Computer Science 2024-06-18 Wenqi Fan , Yujuan Ding , Liangbo Ning , Shijie Wang , Hengyun Li , Dawei Yin , Tat-Seng Chua , Qing Li

The molecular large language models have garnered widespread attention due to their promising potential on molecular applications. However, current molecular large language models face significant limitations in understanding molecules due…

Biomolecules · Quantitative Biology 2025-10-23 Zaifei Yang , Hong Chang , Ruibing Hou , Shiguang Shan , Xilin Chen

An exhaustive study on neural network language modeling (NNLM) is performed in this paper. Different architectures of basic neural network language models are described and examined. A number of different improvements over basic neural…

Computation and Language · Computer Science 2017-08-25 Dengliang Shi

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area.…

Computation and Language · Computer Science 2024-07-18 Yuan Sui , Mengyu Zhou , Mingjie Zhou , Shi Han , Dongmei Zhang

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

Motivated by the potential of large language models (LLMs) as optimizers for solving combinatorial optimization problems, this paper proposes a novel LLM-assisted optimizer (LLMO) to address adversarial robustness neural architecture search…

Neural and Evolutionary Computing · Computer Science 2024-06-11 Rui Zhong , Yang Cao , Jun Yu , Masaharu Munetomo

While large language models have facilitated breakthroughs in many applications of artificial intelligence, their inherent largeness makes them computationally expensive and challenging to deploy in resource-constrained settings. In this…

Medical image registration is an essential topic in medical image analysis. In this paper, we propose a method for medical image registration using a pretrained large language model. We find that using the pretrained large language model to…

Computer Vision and Pattern Recognition · Computer Science 2024-05-30 Mingrui Ma , Yu Yang

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

While Large Language Models (LLMs) have achieved remarkable success in various fields, the efficiency of training and inference remains a major challenge. To address this issue, we propose SUBLLM, short for Subsampling-Upsampling-Bypass…

Computation and Language · Computer Science 2024-08-26 Quandong Wang , Yuxuan Yuan , Xiaoyu Yang , Ruike Zhang , Kang Zhao , Wei Liu , Jian Luan , Daniel Povey , Bin Wang

Chemical reaction prediction is pivotal for accelerating drug discovery and synthesis planning. Despite advances in data-driven models, current approaches are hindered by an overemphasis on parameter and dataset scaling. Some methods…

Machine Learning · Computer Science 2026-03-04 Ran Li , Shimin Di , Haowei LI , Luanshi Bu , Jiachuan Wang , Wangze Ni , Lei Chen

Large language models (LLMs) encode vast world knowledge in their parameters, yet they remain fundamentally limited by static knowledge, finite context windows, and weakly structured causal reasoning. This survey provides a unified account…

Computation and Language · Computer Science 2026-04-06 Prakhar Bansal , Shivangi Agarwal

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

Biomolecules · Quantitative Biology 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang