相关论文: Exploring Optimal Transport-Based Multi-Grained Al…

Short text clustering has gained significant attention in the data mining community. However, the limited valuable information contained in short texts often leads to low-discriminative representations, increasing the difficulty of…

Meta learning with multiple objectives can be formulated as a Multi-Objective Bi-Level optimization Problem (MOBLP) where the upper-level subproblem is to solve several possible conflicting targets for the meta learner. However, existing…

Molecular representation learning is a crucial task in predicting molecular properties. Molecules are often modeled as graphs where atoms and chemical bonds are represented as nodes and edges, respectively, and Graph Neural Networks (GNNs)…

Integrating large language model (LLM) representations into multimodal recommendation has shown promise, yet a fundamental challenge remains largely overlooked: the semantic heterogeneity between generative LM representations and the…

The recent advancement of pre-trained Transformer models has propelled the development of effective text mining models across various biomedical tasks. However, these models are primarily learned on the textual data and often lack the…

Due to the wide range of timescales that are present in macromolecular systems, hierarchical multiscale strategies are necessary for their computational study. Coarse-graining (CG) allows to establish a link between different system…

While OCR has been used in various applications, its output is not always accurate, leading to misfit words. This research work focuses on improving the optical character recognition (OCR) with ML techniques with integration of OCR with…

Recent advancements in large language models have opened new possibilities for generative molecular drug design. We present Chemlactica and Chemma, two language models fine-tuned on a novel corpus of 110M molecules with computed properties,…

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…

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Integrating multi-omics data, such as DNA methylation, mRNA expression, and microRNA (miRNA) expression, offers a comprehensive view of the biological mechanisms underlying disease. However, the high dimensionality of multi-omics data, the…

While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…

Unsupervised domain adaptation (UDA) aims to transfer knowledge from a labeled source domain to an unlabeled target domain. In this paper, we introduce a novel approach called class-aware optimal transport (OT), which measures the OT…

Medical object detection suffers when a single detector is trained on mixed medical modalities (e.g., CXR, CT, MRI) due to heterogeneous statistics and disjoint representation spaces. To address this challenge, we turn to representation…

Multimodal Large Language Models (MLLMs) have shown impressive results on various multimodal tasks. However, most existing MLLMs are not well suited for document-oriented tasks, which require fine-grained image perception and information…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Cross-modal text-molecule retrieval task bridges molecule structures and natural language descriptions. Existing methods predominantly focus on aligning text modality and molecule modality, yet they overlook adaptively adjusting the…

Training data attribution (TDA) methods ask which training documents are responsible for a model behavior. However, models often learn broad concepts shared across many examples. Moreover, existing TDA methods are supervised -- they require…

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

With the increasing attention to large vision-language models such as CLIP, there has been a significant amount of effort dedicated to building efficient prompts. Unlike conventional methods of only learning one single prompt, we propose to…