相关论文: MolXPT: Wrapping Molecules with Text for Generativ…

Text Generation aims to produce plausible and readable text in a human language from input data. The resurgence of deep learning has greatly advanced this field, in particular, with the help of neural generation models based on pre-trained…

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Pre-trained large language models demonstrate potential in extracting information from DNA sequences, yet adapting to a variety of tasks and data modalities remains a challenge. To address this, we propose DNAGPT, a generalized DNA…

Generating precise 3D molecular geometries is crucial for drug discovery and material science. While prior efforts leverage 1D representations like SELFIES to ensure molecular validity, they fail to fully exploit the rich chemical knowledge…

Recent advances in Natural Language Processing, and in particular on the construction of very large pre-trained language representation models, is opening up new perspectives on the construction of conversational information seeking (CIS)…

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Representation learning for text via pretraining a language model on a large corpus has become a standard starting point for building NLP systems. This approach stands in contrast to autoencoders, also trained on raw text, but with the…

We introduce AnyGPT, an any-to-any multimodal language model that utilizes discrete representations for the unified processing of various modalities, including speech, text, images, and music. AnyGPT can be trained stably without any…

The GPT (Generative Pre-trained Transformer) language models are an artificial intelligence and natural language processing technology that enables automatic text generation. There is a growing interest in applying GPT language models to…

The advent of large language models, enabling flexibility through instruction-driven approaches, has revolutionized many traditional generative tasks, but large models for 3D data, particularly in comprehensively handling 3D shapes with…

Pre-trained Language Models (PLMs) have been successful for a wide range of natural language processing (NLP) tasks. The state-of-the-art of PLMs, however, are extremely large to be used on edge devices. As a result, the topic of model…

We introduceGraphGPT, a novel self-supervised generative pre-trained model for graph learning based on the Graph Eulerian Transformer (GET). First, we propose GET, which combines a standard transformer encoder or decoder architecture with…

Molecular property prediction is essential in chemistry, especially for drug discovery applications. However, available molecular property data is often limited, encouraging the transfer of information from related data. Transfer learning…

Foundation models (FMs) have exhibited remarkable performance across a wide range of downstream tasks in many domains. Nevertheless, general-purpose FMs often face challenges when confronted with domain-specific problems, due to their…

Objective To solve major clinical natural language processing (NLP) tasks using a unified text-to-text learning architecture based on a generative large language model (LLM) via prompt tuning. Methods We formulated 7 key clinical NLP tasks…

Various template-based and template-free approaches have been proposed for single-step retrosynthesis prediction in recent years. While these approaches demonstrate strong performance from a data-driven metrics standpoint, many model…

Knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry. Phase equilibria calculations of mixtures require activity coefficients. However, experimental data on activity coefficients is often limited due to high…

Molecule generation is key to drug discovery and materials science, enabling the design of novel compounds with specific properties. Large language models (LLMs) can learn to perform a wide range of tasks from just a few examples. However,…

We propose a novel domain-specific generative pre-training (DS-GPT) method for text generation and apply it to the product titleand review summarization problems on E-commerce mobile display.First, we adopt a decoder-only transformer…

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…