相关论文: MolCA: Molecular Graph-Language Modeling with Cros…

Large language models (LLMs) are being increasingly explored for graph tasks. Despite their remarkable success in text-based tasks, LLMs' capabilities in understanding explicit graph structures remain limited, particularly with large…

Visual question answering (VQA) in medical imaging aims to support clinical diagnosis by automatically interpreting complex imaging data in response to natural language queries. Existing studies typically rely on distinct visual and textual…

Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge for automating…

We introduce G2T-LLM, a novel approach for molecule generation that uses graph-to-tree text encoding to transform graph-based molecular structures into a hierarchical text format optimized for large language models (LLMs). This encoding…

Answering semantically-complicated questions according to an image is challenging in Visual Question Answering (VQA) task. Although the image can be well represented by deep learning, the question is always simply embedded and cannot well…

Graph generation techniques are increasingly being adopted for drug discovery. Previous graph generation approaches have utilized relatively small molecular building blocks such as atoms or simple cycles, limiting their effectiveness to…

Despite the significant progress in multimodal large language models (MLLMs), their high computational cost remains a barrier to real-world deployment. Inspired by the mixture of depths (MoDs) in natural language processing, we aim to…

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…

Graph-structured information offers rich contextual information that can enhance language models by providing structured relationships and hierarchies, leading to more expressive embeddings for various applications such as retrieval,…

Learning medical visual representations directly from paired radiology reports has become an emerging topic in representation learning. However, existing medical image-text joint learning methods are limited by instance or local supervision…

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Leveraging Graph Neural Networks (GNNs) as graph encoders and aligning the resulting representations with Large Language Models (LLMs) through alignment instruction tuning has become a mainstream paradigm for constructing Graph Language…

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models…

Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic…

Deep generative models of molecules have grown immensely in popularity, trained on relevant datasets, these models are used to search through chemical space. The downstream utility of generative models for the inverse design of novel…

Adapter-based tuning methods have shown significant potential in transferring knowledge from pre-trained Vision-Language Models to the downstream tasks. However, after reviewing existing adapters, we find they generally fail to fully…

As the key component in multimodal large language models (MLLMs), the ability of the visual encoder greatly affects MLLM's understanding on diverse image content. Although some large-scale pretrained vision encoders such as vision encoders…

Recently, learning open-vocabulary semantic segmentation from text supervision has achieved promising downstream performance. Nevertheless, current approaches encounter an alignment granularity gap owing to the absence of dense annotations,…

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of…