Related papers: Towards 3D Molecule-Text Interpretation in Languag…

Structure-based drug discovery faces the dual challenge of accurately capturing 3D protein-ligand interactions while navigating ultra-large chemical spaces to identify synthetically accessible candidates. In this work, we present a unified…

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures,…

Recent advances in scene understanding have leveraged multimodal large language models (MLLMs) for 3D reasoning by capitalizing on their strong 2D pretraining. However, the lack of explicit 3D data during MLLM pretraining limits 3D…

Aligning visual features with language embeddings is a key challenge in vision-language models (VLMs). The performance of such models hinges on having a good connector that maps visual features generated by a vision encoder to a shared…

This paper introduces Scene-LLM, a 3D-visual-language model that enhances embodied agents' abilities in interactive 3D indoor environments by integrating the reasoning strengths of Large Language Models (LLMs). Scene-LLM adopts a hybrid 3D…

Recent advances in Large Multimodal Models (LMM) have made it possible for various applications in human-machine interactions. However, developing LMMs that can comprehend, reason, and plan in complex and diverse 3D environments remains a…

We present $\textbf{MolT5}$ $-$ a self-supervised learning framework for pretraining models on a vast amount of unlabeled natural language text and molecule strings. $\textbf{MolT5}$ allows for new, useful, and challenging analogs of…

Multimodal Large Language Models (MLLMs) have demonstrated impressive 2D image/video understanding capabilities. However, there are no publicly standardized benchmarks to assess the abilities of MLLMs in understanding the 4D objects (3D…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Multi-modal large language models (MLLMs) have demonstrated remarkable vision-language capabilities, primarily due to the exceptional in-context understanding and multi-task learning strengths of large language models (LLMs). The advent of…

Recent Multimodal Large Language Models (MLLMs) have demonstrated significant progress in perceiving and reasoning over multimodal inquiries, ushering in a new research era for foundation models. However, vision-language misalignment in…

Generative modeling of three-dimensional (3D) molecules is a fundamental yet challenging problem in drug discovery and materials science. Existing approaches typically represent molecules as 3D graphs and co-generate discrete atom types…

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

Recent advancements in biology and chemistry have leveraged multi-modal learning, integrating molecules and their natural language descriptions to enhance drug discovery. However, current pre-training frameworks are limited to two…

In the pursuit of efficient automated content creation, procedural generation, leveraging modifiable parameters and rule-based systems, emerges as a promising approach. Nonetheless, it could be a demanding endeavor, given its intricate…

Vision--language models reliably name objects in a scene, but do they represent the 3D layout those objects inhabit? We introduce a 3,034-sample human-curated benchmark targeting three components of spatial understanding: depth-ordered…

Large language models (LLMs) based on decoder-only transformers have demonstrated superior text understanding capabilities compared to CLIP and T5-series models. However, the paradigm for utilizing current advanced LLMs in text-to-image…

Recent research has demonstrated that Large Language Models (LLMs) are not limited to text-only tasks but can also function as multimodal models across various modalities, including audio, images, and videos. In particular, research on 3D…

Masked graph modeling (MGM) is a promising approach for molecular representation learning (MRL).However, extending the success of re-mask decoding from 2D to 3D MGM is non-trivial, primarily due to two conflicting challenges: avoiding 2D…

Recent advances in product bundling have leveraged multimodal information through sophisticated encoders, but remain constrained by limited semantic understanding and a narrow scope of knowledge. Therefore, some attempts employ In-context…