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Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Mario Sänger , Ninon De Mecquenem , Katarzyna Ewa Lewińska , Vasilis Bountris , Fabian Lehmann , Ulf Leser , Thomas Kosch

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

Traditional metasurface design is limited by the computational cost of full-wave simulations, preventing thorough exploration of complex configurations. Data-driven approaches have emerged as a solution to this bottleneck, replacing costly…

Optics · Physics 2026-01-28 Huanshu Zhang , Lei Kang , Sawyer D. Campbell , Douglas H. Werner

Large language models (LLMs) are in the ascendancy for research in drug discovery, offering unprecedented opportunities to reshape drug research by accelerating hypothesis generation, optimizing candidate prioritization, and enabling more…

Machine Learning · Computer Science 2026-04-06 Tianyu Liu , Sihan Jiang , Fan Zhang , Kunyang Sun , Teresa Head-Gordon , Hongyu Zhao

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Optics · Physics 2025-04-01 Darui Lu , Yang Deng , Jordan M. Malof , Willie J. Padilla

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

Existing works focus on fixed-size layout pattern generation, while the more practical free-size pattern generation receives limited attention. In this paper, we propose ChatPattern, a novel Large-Language-Model (LLM) powered framework for…

Computation and Language · Computer Science 2024-03-26 Zixiao Wang , Yunheng Shen , Xufeng Yao , Wenqian Zhao , Yang Bai , Farzan Farnia , Bei Yu

Vision-language models (VLMs) pre-trained on web-scale datasets have demonstrated remarkable capabilities on downstream tasks when fine-tuned with minimal data. However, many VLMs rely on proprietary data and are not open-source, which…

Computation and Language · Computer Science 2024-05-15 Shihong Liu , Zhiqiu Lin , Samuel Yu , Ryan Lee , Tiffany Ling , Deepak Pathak , Deva Ramanan

Large Language Models (LLMs) have emerged as a potential solution to assist digital health development with patient education, commonly medication-related enquires. We trained and validated Med-Pal, a medication domain-specific LLM-chatbot…

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

The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature…

Machine Learning · Computer Science 2026-01-12 Xinhao Zhang , Jinghan Zhang , Banafsheh Rekabdar , Yuanchun Zhou , Pengfei Wang , Kunpeng Liu

The advent of large language models (LLMs) has gained tremendous attention over the past year. Previous studies have shown the astonishing performance of LLMs not only in other tasks but also in emotion recognition in terms of accuracy,…

Computation and Language · Computer Science 2023-10-24 Liyizhe Peng , Zixing Zhang , Tao Pang , Jing Han , Huan Zhao , Hao Chen , Björn W. Schuller

Gestures perform a variety of communicative functions that powerfully influence human face-to-face interaction. How this communicative function is achieved varies greatly between individuals and depends on the role of the speaker and the…

Human-Computer Interaction · Computer Science 2023-10-24 Laura B. Hensel , Nutchanon Yongsatianchot , Parisa Torshizi , Elena Minucci , Stacy Marsella

This paper introduces an efficient strategy to transform Large Language Models (LLMs) into Multi-Modal Large Language Models (MLLMs). By conceptualizing this transformation as a domain adaptation process, i.e., transitioning from text…

Computation and Language · Computer Science 2023-12-19 Bingchen Zhao , Haoqin Tu , Chen Wei , Jieru Mei , Cihang Xie

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

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

The integration of large language models (LLMs) into automated algorithm design has shown promising potential. A prevalent approach embeds LLMs within search routines to iteratively generate and refine candidate algorithms. However, most…

Machine Learning · Computer Science 2026-05-20 Fei Liu , Rui Zhang , Xi Lin , Zhichao Lu , Qingfu Zhang

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Artificial Intelligence · Computer Science 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

Multimodal Large Language Models (MLLMs) are set to transform how machines process and generate human-like responses by integrating diverse modalities such as text, images, and code. Yet, effectively harnessing their capabilities hinges on…

Artificial Intelligence · Computer Science 2025-04-15 Anwesha Mohanty , Venkatesh Balavadhani Parthasarathy , Arsalan Shahid

While large language models (LLMs) demonstrate impressive capabilities across numerous applications, their robustness remains a critical concern. This paper is motivated by a specific vulnerability: the order sensitivity of LLMs. This…

Machine Learning · Computer Science 2025-05-22 Beni Egressy , Jan Stühmer
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