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Magnetic resonance imaging (MRI) is one of the best medical imaging modalities as it offers excellent spatial resolution and soft-tissue contrast. But, the usage of MRI is limited by its slow acquisition time, which makes it expensive and…
Recommender systems and search engines serve as foundational elements of online platforms, with the former delivering information proactively and the latter enabling users to seek information actively. Unifying both tasks in a shared model…
The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular language models that have been pretrained on extensive…
Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…
Universal multimodal retrieval (UMR), which aims to address complex retrieval tasks where both queries and candidates span diverse modalities, has been significantly advanced by the emergence of MLLMs. While state-of-the-art MLLM-based…
Large Language Models (LLMs) have enabled a wide range of applications through their powerful capabilities in language understanding and generation. However, as LLMs are trained on static corpora, they face difficulties in addressing…
Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…
Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for…
Large Language Models (LLMs) showcase impressive capabilities but encounter challenges like hallucination, outdated knowledge, and non-transparent, untraceable reasoning processes. Retrieval-Augmented Generation (RAG) has emerged as a…
Generative recommendation (GR) has become a powerful paradigm in recommendation systems that implicitly links modality and semantics to item representation, in contrast to previous methods that relied on non-semantic item identifiers in…
Multimodal learning for generative models often refers to the learning of abstract concepts from the commonality of information in multiple modalities, such as vision and language. While it has proven effective for learning generalisable…
Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…
With the advent of large language models (LLMs) and multimodal large language models (MLLMs), the potential of retrieval-augmented generation (RAG) has attracted considerable research attention. Various novel algorithms and models have been…
Multimodal Retrieval-Augmented Generation (MRAG) enhances large language models (LLMs) by integrating multimodal data (text, images, videos) into retrieval and generation processes, overcoming the limitations of text-only…
Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a…
The data and compute requirements of current language modeling technology pose challenges for the processing and analysis of low-resource languages. Declarative linguistic knowledge has the potential to partially bridge this data scarcity…
This paper focuses on the dynamic optimization of the Retrieval-Augmented Generation (RAG) architecture. It proposes a state-aware dynamic knowledge retrieval mechanism to enhance semantic understanding and knowledge scheduling efficiency…
Composed Image Retrieval (CIR) aims to retrieve target images based on a hybrid query comprising a reference image and a modification text. Early dual-tower Vision-Language Models (VLMs) struggle with cross-modality compositional reasoning…
Cross-modal retrieval is gaining increasing efficacy and interest from the research community, thanks to large-scale training, novel architectural and learning designs, and its application in LLMs and multimodal LLMs. In this paper, we move…
The de novo design of molecular structures using deep learning generative models introduces an encouraging solution to drug discovery in the face of the continuously increased cost of new drug development. From the generation of original…