相关论文: Interactive Molecular Discovery with Natural Langu…

This article proposes a new integration of linguistic anthropology and machine learning (ML) around convergent interests in both the underpinnings of language and making language technologies more socially responsible. While linguistic…

We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

The recent advancements in Large Language Models (LLMs), particularly conversational LLMs like ChatGPT, have prompted changes in a range of fields, including design. This study aims to examine the capabilities of ChatGPT in a human-centered…

Large language models, pivotal in artificial intelligence, find diverse applications. ChatGPT (Chat Generative Pre-trained Transformer), an OpenAI creation, stands out as a widely adopted, powerful tool. It excels in chatbots, content…

The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular language models that have been pretrained on extensive…

For a natural language problem that requires some non-trivial reasoning to solve, there are at least two ways to do it using a large language model (LLM). One is to ask it to solve it directly. The other is to use it to extract the facts…

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Large language models, such as the well-known ChatGPT, have brought about an unexpected revolution in the field of artificial intelligence. On the one hand, they have numerous practical applications and enormous potential still to be…

ChatGPT has demonstrated exceptional proficiency in natural language conversation, e.g., it can answer a wide range of questions while no previous large language models can. Thus, we would like to push its limit and explore its ability to…

Large language models (LLMs) provide a new way to build chatbots by accepting natural language prompts. Yet, it is unclear how to design prompts to power chatbots to carry on naturalistic conversations while pursuing a given goal, such as…

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

The capabilities of AI for biomedicine span a wide spectrum, from the atomic level, where it solves partial differential equations for quantum systems, to the molecular level, predicting chemical or protein structures, and further extending…

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…

Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing…

Empathetic dialogue is an indispensable part of building harmonious social relationships and contributes to the development of a helpful AI. Previous approaches are mainly based on fine small-scale language models. With the advent of…

The rapid advancement of Artificial Intelligence has resulted in the advent of Large Language Models (LLMs) with the capacity to produce text that closely resembles human communication. These models have been seamlessly integrated into…

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…