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$\textbf{Objectives}$: Large Language Models (LLMs) such as ChatGPT and Med-PaLM have excelled in various medical question-answering tasks. However, these English-centric models encounter challenges in non-English clinical settings,…

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Large language model (LLM) applications, such as ChatGPT, are a powerful tool for online information-seeking (IS) and problem-solving tasks. However, users still face challenges initializing and refining prompts, and their cognitive…

Chemical Language Models (CLMs) leveraging reinforcement learning (RL) have shown promise in de novo molecular design, yet often suffer from mode collapse, limiting their exploration capabilities. Inspired by Test-Time Training (TTT) in…

The field of machine learning (ML) has gained widespread adoption, leading to significant demand for adapting ML to specific scenarios, which is yet expensive and non-trivial. The predominant approaches towards the automation of solving ML…

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…

Embedding models are crucial for various natural language processing tasks but can be limited by factors such as limited vocabulary, lack of context, and grammatical errors. This paper proposes a novel approach to improve embedding…

Large language models (LLMs) with billions of parameters and pretrained on massive amounts of data are now capable of near or better than state-of-the-art performance in a variety of downstream natural language processing tasks. Neural…

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…

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

World models are progressively being employed across diverse fields, extending from basic environment simulation to complex scenario construction. However, existing models are mainly trained on domain-specific states and actions, and…

Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific…

Large-scale pre-trained language models (LLMs) have demonstrated exceptional performance in various natural language processing (NLP) tasks. However, the massive size of these models poses huge challenges for their deployment in real-world…

Large Language Models (LLMs) have revo lutionized natural language processing Natural Language Processing (NLP), with Chat Generative Pre-trained Transformer (ChatGPT) standing out as a notable exampledue to its advanced capabilities and…

Large language models (LLMs) have revolutionized Natural Language Processing (NLP) by minimizing the need for complex feature engineering. However, the application of LLMs in specialized domains like biopharmaceuticals and chemistry remains…

Recently, large language models (LLM) based generative AI has been gaining momentum for their impressive high-quality performances in multiple domains, particularly after the release of the ChatGPT. Many believe that they have the potential…

Recently, Multimodal Large Language Models (MLLMs) have gained significant attention for their remarkable ability to process and analyze non-textual data, such as images, videos, and audio. Notably, several adaptations of general-domain…

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face…

In the realm of data-driven AI technology, the application of open-source large language models (LLMs) in robotic task planning represents a significant milestone. Recent robotic task planning methods based on open-source LLMs typically…