相关论文: Large Language Models for Controllable Multi-prope…
Within the realm of software engineering, specialized tasks on code, such as program repair, present unique challenges, necessitating fine-tuning Large language models~(LLMs) to unlock state-of-the-art performance. Fine-tuning approaches…
Large language models (LLMs) such as ChatGPT are fine-tuned on large and diverse instruction-following corpora, and can generalize to new tasks. However, those instruction-tuned LLMs often perform poorly in specialized medical natural…
Various Deep Learning-based approaches with pre-trained language models have been proposed for automatically repairing software vulnerabilities. However, these approaches are limited to a specific programming language (C/C++). Recent…
Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and…
Molecule optimization is a fundamental task for accelerating drug discovery, with the goal of generating new valid molecules that maximize multiple drug properties while maintaining similarity to the input molecule. Existing generative…
Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…
Tool learning has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools. Existing tool learning studies primarily focus on the general-purpose tool-use capability, which addresses…
Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…
Instruction-tuned large language models (LLMs) have demonstrated promising zero-shot generalization capabilities across various downstream tasks. Recent research has introduced multimodal capabilities to LLMs by integrating independently…
Multimodal Large Language Models (MLLMs) have made notable advances in visual understanding, yet their abilities to recognize objects modified by specific attributes remain an open question. To address this, we explore MLLMs' reasoning…
We present MM1.5, a new family of multimodal large language models (MLLMs) designed to enhance capabilities in text-rich image understanding, visual referring and grounding, and multi-image reasoning. Building upon the MM1 architecture,…
Training large language models (LLMs) to follow instructions has significantly enhanced their ability to tackle unseen tasks. However, despite their strong generalization capabilities, instruction-following LLMs encounter difficulties when…
Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…
Transformer-based language models, though not explicitly trained to mimic brain recordings, have demonstrated surprising alignment with brain activity. Progress in these models-through increased size, instruction-tuning, and…
Despite the effectiveness of vision-language supervised fine-tuning in enhancing the performance of Vision Large Language Models (VLLMs). However, existing visual instruction tuning datasets include the following limitations: (1)…
Large Language Models (LLMs) have revolutionized Natural Language Processing (NLP) but demand massive GPU resources for training. Lowering the threshold for LLMs training would encourage greater participation from researchers, benefiting…
Optimizing the structure of molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industry where it underlies the discovery of new drugs. Since molecular property…
Multimodal Large Language Models (MLLMs) demonstrate remarkable performance across a wide range of domains, with increasing emphasis on enhancing their zero-shot generalization capabilities for unseen tasks across various modalities.…
In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…
Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ…