相关论文: MolSight: Optical Chemical Structure Recognition w…

Deep learning has been a prevalence in computational chemistry and widely implemented in molecule property predictions. Recently, self-supervised learning (SSL), especially contrastive learning (CL), gathers growing attention for the…

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Coarse-grained (CG) modeling simplifies molecular systems by mapping groups of atoms into representative units. However, traditional CG approaches rely on fixed mapping rules, which limit their ability to handle diverse chemical systems and…

Scanning Probe Microscopy (SPM) techniques have shown great potential in fabricating nanoscale structures endowed with exotic quantum properties achieved through various manipulations of atoms and molecules. However, precise control…

Multimodal Large Language Models (MLLMs) have seen growing adoption across various scientific disciplines. These advancements encourage the investigation of molecule-text modeling within synthetic chemistry, a field dedicated to designing…

The development of large vision language models drives the demand for managing, and applying massive amounts of multimodal data, making OCR technology, which extracts information from visual images, increasingly popular. However, existing…

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 advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled…

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Large Language Models (LLMs) are increasingly being used to support scientific discovery. In chemistry, tasks such as reaction prediction and structure elucidation require reasoning about the structures of molecules. As such, LLM-based…

In recent years, Multi-View Clustering (MVC) has attracted increasing attention for its potential to reduce the annotation burden associated with large datasets. The aim of MVC is to exploit the inherent consistency and complementarity…

While recent advancements in Image Super-Resolution (SR) using diffusion models have shown promise in improving overall image quality, their application to scene text images has revealed limitations. These models often struggle with…

Functional groups and moieties are chemical descriptors of biomolecules that can be used to interpret their properties and functions, leading to the understanding of chemical or biological mechanisms. These chemical building blocks, or…

Current multimodal large language models (MLLMs) are mainly focused on the understanding and processing of perceptual modalities such as images and videos, while their capability for scientific data understanding remains insufficient. To…

The substantial modality-induced variations in radiometric, texture, and structural characteristics pose significant challenges for the accurate registration of multimodal images. While supervised deep learning methods have demonstrated…

Language-Guided object recognition in remote sensing imagery is crucial for large-scale mapping and automated data annotation. However, existing open-vocabulary and visual grounding methods rely on explicit category cues, limiting their…

The open set recognition (OSR) problem aims to identify test samples from novel semantic classes that are not part of the training classes, a task that is crucial in many practical scenarios. However, the existing OSR methods use a constant…

Document parsing is a core task in document intelligence, supporting applications such as information extraction, retrieval-augmented generation, and automated document analysis. However, real-world documents often feature complex layouts…

Image fusion is a crucial technique in the field of computer vision, and its goal is to generate high-quality fused images and improve the performance of downstream tasks. However, existing fusion methods struggle to balance these two…

Understanding 3D medical image volumes is critical in the medical field, yet existing 3D medical convolution and transformer-based self-supervised learning (SSL) methods often lack deep semantic comprehension. Recent advancements in…