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This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Machine Learning · Computer Science 2025-10-14 Yanxi Chen , Yaliang Li , Bolin Ding , Jingren Zhou

Linking (aligning) biomedical concepts across diverse data sources enables various integrative analyses, but it is challenging due to the discrepancies in concept naming conventions. Various strategies have been developed to overcome this…

Information Retrieval · Computer Science 2024-05-14 Yuzhang Xie , Jiaying Lu , Joyce Ho , Fadi Nahab , Xiao Hu , Carl Yang

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

Large Language Models (LLMs) are capable of performing zero-shot closed-book question answering tasks, based on their internal knowledge stored in parameters during pre-training. However, such internalized knowledge might be insufficient…

Computation and Language · Computer Science 2023-06-08 Jinheon Baek , Alham Fikri Aji , Amir Saffari

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Recent work has investigated the capabilities of large language models (LLMs) as zero-shot models for generating individual-level characteristics (e.g., to serve as risk models or augment survey datasets). However, when should a user have…

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for…

Machine Learning · Computer Science 2025-02-19 Jiayuan Liu , Mingyu Guo , Vincent Conitzer

In recent years, multimodal large language models (MLLMs) have made significant strides by training on vast high-quality image-text datasets, enabling them to generally understand images well. However, the inherent difficulty in explicitly…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Yuanze Lin , Yunsheng Li , Dongdong Chen , Weijian Xu , Ronald Clark , Philip Torr , Lu Yuan

Large Language Models (LLMs) are gaining significant popularity in recent years for specialized tasks using prompts due to their low computational cost. Standard methods like prefix tuning utilize special, modifiable tokens that lack…

Computation and Language · Computer Science 2024-10-14 Nusrat Jahan Prottasha , Asif Mahmud , Md. Shohanur Islam Sobuj , Prakash Bhat , Md Kowsher , Niloofar Yousefi , Ozlem Ozmen Garibay

We propose a novel zero-shot approach for keypoint detection on 3D shapes. Point-level reasoning on visual data is challenging as it requires precise localization capability, posing problems even for powerful models like DINO or CLIP.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Bingchen Gong , Diego Gomez , Abdullah Hamdi , Abdelrahman Eldesokey , Ahmed Abdelreheem , Peter Wonka , Maks Ovsjanikov

Large Language Models (LLMs) have demonstrated remarkable planning abilities across various domains, including robotics manipulation and navigation. While recent efforts in robotics have leveraged LLMs both for high-level and low-level…

Robotics · Computer Science 2025-08-26 Harsh Singh , Rocktim Jyoti Das , Mingfei Han , Preslav Nakov , Ivan Laptev

Deep learning algorithms are dependent on the availability of large-scale annotated clinical text datasets. The lack of such publicly available datasets is the biggest bottleneck for the development of clinical Natural Language…

Computation and Language · Computer Science 2022-03-11 Sonish Sivarajkumar , Yanshan 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…

We propose a method to teach multiple large language models (LLM) to collaborate by interleaving their generations at the token level. We model the decision of which LLM generates the next token as a latent variable. By optimizing the…

Computation and Language · Computer Science 2024-08-28 Shannon Zejiang Shen , Hunter Lang , Bailin Wang , Yoon Kim , David Sontag

The recent trend in the Large Vision and Language model has brought a new change in how information extraction systems are built. VLMs have set a new benchmark with their State-of-the-art techniques in understanding documents and building…

Computer Vision and Pattern Recognition · Computer Science 2024-08-08 Dipankar Medhi

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Computation and Language · Computer Science 2024-12-03 Oliver Kramer , Jill Baumann

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

In-context learning (ICL) has emerged as a new approach to various natural language processing tasks, utilizing large language models (LLMs) to make predictions based on context that has been supplemented with a few examples or…

Computation and Language · Computer Science 2023-05-23 Linyong Nan , Yilun Zhao , Weijin Zou , Narutatsu Ri , Jaesung Tae , Ellen Zhang , Arman Cohan , Dragomir Radev

We explore the use of large language models (LLMs) for zero-shot semantic parsing. Semantic parsing involves mapping natural language utterances to task-specific meaning representations. Language models are generally trained on the publicly…

Computation and Language · Computer Science 2022-12-22 Dheeraj Mekala , Jason Wolfe , Subhro Roy
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