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

Answering questions that require reading texts in an image is challenging for current models. One key difficulty of this task is that rare, polysemous, and ambiguous words frequently appear in images, e.g., names of places, products, and…

Modern Web systems such as social media and e-commerce contain rich contents expressed in images and text. Leveraging information from multi-modalities can improve the performance of machine learning tasks such as classification and…

Cross-modal encoders for vision-language (VL) tasks are often pretrained with carefully curated vision-language datasets. While these datasets reach an order of 10 million samples, the labor cost is prohibitive to scale further. Conversely,…

We present the graph-based molecule software Molassembler for building organic and inorganic molecules. Molassembler provides algorithms for the construction of molecules built from any set of elements from the periodic table. In…

Since Multimodal Emotion Recognition in Conversation (MERC) can be applied to public opinion monitoring, intelligent dialogue robots, and other fields, it has received extensive research attention in recent years. Unlike traditional…

Multi-modal large language models (MLLMs) have made significant strides in various visual understanding tasks. However, the majority of these models are constrained to process low-resolution images, which limits their effectiveness in…

Graphs are data structures used to represent irregular networks and are prevalent in numerous real-world applications. Previous methods directly model graph structures and achieve significant success. However, these methods encounter…

Multimodal large language models (MLLMs) like LLaVA and GPT-4(V) enable general-purpose conversations about images with the language modality. As off-the-shelf MLLMs may have limited capabilities on images from domains like dermatology and…

Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks…

Exploring large-scale pretrained foundation models is of significant interest in computer vision because these models can be quickly transferred to many downstream tasks. This paper presents Contrastive Captioner (CoCa), a minimalist design…

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…

Molecular optimization, which transforms a given input molecule X into another Y with desirable properties, is essential in molecular drug discovery. The traditional translating approaches, generating the molecular graphs from scratch by…

Molecular representation learning contributes to multiple downstream tasks such as molecular property prediction and drug design. To properly represent molecules, graph contrastive learning is a promising paradigm as it utilizes…

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

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…

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…

Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as…

Adapter-style efficient transfer learning (ETL) has shown excellent performance in the tuning of vision-language models (VLMs) under the low-data regime, where only a few additional parameters are introduced to excavate the task-specific…

Large language models (LLMs) have achieved impressive performance on many natural language processing tasks. However, their capabilities on graph-structured data remain relatively unexplored. In this paper, we conduct a series of…