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Large Language Models (LLMs) have demonstrated exceptional proficiency in text understanding and embedding tasks. However, their potential in multimodal representation, particularly for item-to-item (I2I) recommendations, remains…

Information Retrieval · Computer Science 2025-01-22 Chao Zhang , Haoxin Zhang , Shiwei Wu , Di Wu , Tong Xu , Xiangyu Zhao , Yan Gao , Yao Hu , Enhong Chen

Multi-modal Large Language Models (MLLMs) have demonstrated remarkable capabilities in understanding and generating content across various modalities, such as images and text. However, their interpretability remains a challenge, hindering…

Computer Vision and Pattern Recognition · Computer Science 2024-05-29 Loris Giulivi , Giacomo Boracchi

Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models…

Machine Learning · Computer Science 2026-01-15 Mianzhi Pan , JianFei Li , Peishuo Liu , Botian Wang , Yawen Ouyang , Yiming Rong , Hao Zhou , Jianbing Zhang

Through additional training, we explore embedding specialized scientific knowledge into the Llama 2 Large Language Model (LLM). Key findings reveal that effective knowledge integration requires reading texts from multiple perspectives,…

Computation and Language · Computer Science 2023-12-19 Kan Hatakeyama-Sato , Yasuhiko Igarashi , Shun Katakami , Yuta Nabae , Teruaki Hayakawa

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

Computation and Language · Computer Science 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

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…

Large Language Models (LLMs) are becoming increasingly popular in pervasive computing due to their versatility and strong performance. However, despite their ubiquitous use, the exact mechanisms underlying their outstanding performance…

Computation and Language · Computer Science 2026-02-02 Alhassan Abdelhalim , Janick Edinger , Sören Laue , Michaela Regneri

In the large language model (LLM) revolution, embedding is a key component of various systems, such as retrieving knowledge or memories for LLMs or building content moderation filters. As such cases span from English to other natural or…

Computation and Language · Computer Science 2025-05-23 Xin Zhang , Zehan Li , Yanzhao Zhang , Dingkun Long , Pengjun Xie , Meishan Zhang , Min Zhang

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Large language models (LLMs) have shown remarkable promise but remain challenging to continually improve through traditional finetuning, particularly when integrating capabilities from other specialized LLMs. Popular methods like ensemble…

Computation and Language · Computer Science 2025-06-02 Zhenglun Kong , Zheng Zhan , Shiyue Hou , Yifan Gong , Xin Meng , Pengwei Sui , Peiyan Dong , Xuan Shen , Zifeng Wang , Pu Zhao , Hao Tang , Stratis Ioannidis , Yanzhi Wang

Accurately predicting 3D structures and dynamics of physical systems is crucial in scientific applications. Existing approaches that rely on geometric Graph Neural Networks (GNNs) effectively enforce $\mathrm{E}(3)$-equivariance, but they…

Machine Learning · Computer Science 2025-02-20 Zongzhao Li , Jiacheng Cen , Bing Su , Wenbing Huang , Tingyang Xu , Yu Rong , Deli Zhao

The field of learning analytics has made notable strides in automating the detection of complex learning processes in multimodal data. However, most advancements have focused on individualized problem-solving instead of collaborative,…

This research focuses on assessing the ability of large language models (LLMs) in representing geometries and their spatial relations. We utilize LLMs including GPT-2 and BERT to encode the well-known text (WKT) format of geometries and…

Computation and Language · Computer Science 2023-07-10 Yuhan Ji , Song Gao

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Machine Learning · Computer Science 2023-09-04 Hongshuo Huang , Rishikesh Magar , Changwen Xu , Amir Barati Farimani

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

Computation and Language · Computer Science 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

Accurate representation of building semantics, encompassing both generic object types and specific subtypes, is essential for effective AI model training in the architecture, engineering, construction, and operation (AECO) industry.…

Artificial Intelligence · Computer Science 2026-02-18 Suhyung Jang , Ghang Lee , Jaekun Lee , Hyunjun Lee

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

In the current literature, most embedding models are based on the encoder-only transformer architecture to extract a dense and meaningful representation of the given input, which can be a text, an image, and more. With the recent advances…

Computation and Language · Computer Science 2025-03-18 Elio Musacchio , Lucia Siciliani , Pierpaolo Basile , Giovanni Semeraro

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…

Molecular property prediction is a fundamental task in computational chemistry with critical applications in drug discovery and materials science. While recent works have explored Large Language Models (LLMs) for this task, they primarily…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Deepan Adak , Yogesh Singh Rawat , Shruti Vyas
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