相关论文: Interactive Molecular Discovery with Natural Langu…
Large Language Models (LLMs) have substantially driven scientific progress in various domains, and many papers have demonstrated their ability to tackle complex problems with creative solutions. Our paper introduces a new foundation model,…
Natural products are substances produced by organisms in nature and often possess biological activity and structural diversity. Drug development based on natural products has been common for many years. However, the intricate structures of…
Vast improvements in natural language understanding and speech recognition have paved the way for conversational interaction with computers. While conversational agents have often been used for short goal-oriented dialog, we know little…
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…
ChatGPT has drawn considerable attention from both the general public and domain experts with its remarkable text generation capabilities. This has subsequently led to the emergence of diverse applications in the field of biomedicine and…
As a cornerstone of modern information access, search engines have become indispensable in everyday life. With the rapid advancements in AI and natural language processing (NLP) technologies, particularly large language models (LLMs),…
Benefiting from diverse instruction datasets, contemporary Large Language Models (LLMs) perform effectively as AI assistants in collaborating with humans. However, LLMs still struggle to generate natural and colloquial responses in…
As a primary means of information acquisition, information retrieval (IR) systems, such as search engines, have integrated themselves into our daily lives. These systems also serve as components of dialogue, question-answering, and…
Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…
Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular…
Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to create valuable new molecular entities, from small molecule…
To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…
Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…
Compared to traditional sentiment analysis, which only considers text, multimodal sentiment analysis needs to consider emotional signals from multimodal sources simultaneously and is therefore more consistent with the way how humans process…
Discovering new materials better suited to specific purposes is an important issue in improving the quality of human life. Here, a neural network that creates molecules that meet some desired conditions based on a deep understanding of…
Most current molecular language models transfer the masked language model or image-text generation model from natural language processing to molecular field. However, molecules are not solely characterized by atom/bond symbols; they…
Conversational agents show the promise to allow users to interact with mobile devices using language. However, to perform diverse UI tasks with natural language, developers typically need to create separate datasets and models for each…
Multimodal search has become increasingly important in providing users with a natural and effective way to ex-press their search intentions. Images offer fine-grained details of the desired products, while text allows for easily…
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…
Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among these, GPT-based molecular language models (MLM) have shown…