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

Knowledge Graph Completion (KGC) aims to conduct reasoning on the facts within knowledge graphs and automatically infer missing links. Existing methods can mainly be categorized into structure-based or description-based. On the one hand,…

Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much scientific knowledge is encoded in text. To bridge these two…

Pre-trained on extensive text and image corpora, current Multi-Modal Large Language Models (MLLM) have shown strong capabilities in general visual reasoning tasks. However, their performance is still lacking in physical domains that require…

Vision-and-language reasoning requires an understanding of visual concepts, language semantics, and, most importantly, the alignment and relationships between these two modalities. We thus propose the LXMERT (Learning Cross-Modality Encoder…

Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular…

For multimodal LLMs, the synergy of visual comprehension (textual output) and generation (visual output) presents an ongoing challenge. This is due to a conflicting objective: for comprehension, an MLLM needs to abstract the visuals; for…

Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields. However, most approaches employ a…

Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or…

Molecular representation learning plays a crucial role in advancing applications such as drug discovery and material design. Existing work leverages 2D and 3D modalities of molecular information for pre-training, aiming to capture…

Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…

Generating font glyphs of consistent style from one or a few reference glyphs, i.e., font completion, is an important task in topographical design. As the problem is more well-defined than general image style transfer tasks, thus it has…

The Large Vision-Language Model (LVLM) has enhanced the performance of various downstream tasks in visual-language understanding. Most existing approaches encode images and videos into separate feature spaces, which are then fed as inputs…

Large language models appear to learn facts from the large text corpora they are trained on. Such facts are encoded implicitly within their many parameters, making it difficult to verify or manipulate what knowledge has been learned.…

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

Molecular representation learning, a cornerstone for downstream tasks like molecular captioning and molecular property prediction, heavily relies on Graph Neural Networks (GNN). However, GNN suffers from the over-smoothing problem, where…

Molecular graph neural networks (GNNs) often focus exclusively on XYZ-based geometric representations and thus overlook valuable chemical context available in public databases like PubChem. This work introduces a multimodal framework that…

Large Vision-Language Models (LVLMs) have exhibited impressive capabilities across various visual tasks, yet they remain hindered by the persistent challenge of hallucinations. To address this critical issue, we propose Mixture of Decoding…

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…

We introduce CLARGA, a general-purpose multimodal fusion architecture for multimodal representation learning that works with any number and type of modalities without changing the underlying framework. Given a supervised dataset, CLARGA can…

Visual Question Answering (VQA) is a challenging problem that requires to process multimodal input. Answer-Set Programming (ASP) has shown great potential in this regard to add interpretability and explainability to modular VQA…