相关论文: MatMMFuse: Multi-Modal Fusion model for Material P…

There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

In this work we propose simple, effective and computationally efficient transfer learning approaches for structure-property relation predictions in the context of materials, with highly informative input from different modalities. As…

Metal-organic frameworks (MOFs) have emerged as promising materials for various applications due to their unique structural properties and versatile functionalities. This study presents a comprehensive investigation of machine learning…

In condensed matter physics and materials science, predicting material properties necessitates understanding intricate many-body interactions. Conventional methods such as density functional theory (DFT) and molecular dynamics (MD) often…

Predicting material properties base on micro structure of materials has long been a challenging problem. Recently many deep learning methods have been developed for material property prediction. In this study, we propose a crystal…

The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional approaches relying on experimental measurements or density…

Fine-tuning vision-language models (VLMs) such as CLIP often leads to catastrophic forgetting of pretrained knowledge. Prior work primarily aims to mitigate forgetting during adaptation; however, forgetting often remains inevitable during…

Machine learning has revolutionized materials design, yet predicting complex properties like alloy ductility remains challenging due to the influence of processing conditions and microstructural features that resist quantification through…

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Machine-learned force fields (MLFFs) promise to offer a computationally efficient alternative to ab initio simulations for complex molecular systems. However, ensuring their generalizability beyond training data is crucial for their wide…

Characterizing materials using electron micrographs is crucial in areas such as semiconductors and quantum materials. Traditional classification methods falter due to the intricatestructures of these micrographs. This study introduces an…

With the proliferation of multi-modal data in large-scale visual recognition systems, enabling models to continuously acquire knowledge from evolving data streams while preserving prior information has become increasingly critical.…

Material representations that are compatible with machine learning models play a key role in developing models that exhibit high accuracy for property prediction. Atomic orbital interactions are one of the important factors that govern the…

In late fusion, each modality is processed in a separate unimodal Convolutional Neural Network (CNN) stream and the scores of each modality are fused at the end. Due to its simplicity late fusion is still the predominant approach in many…

Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models…

Multimodal image fusion (MMIF) integrates information from different modalities to obtain a comprehensive image, aiding downstream tasks. However, existing research focuses on complementary information fusion and training strategies,…

Multi-modal image fusion (MMIF) maps useful information from various modalities into the same representation space, thereby producing an informative fused image. However, the existing fusion algorithms tend to symmetrically fuse the…

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Understanding material failure is critical for designing stronger and lighter structures by identifying weaknesses that could be mitigated. Existing full-physics numerical simulation techniques involve trade-offs between speed, accuracy,…

This study presents a novel multimodal fusion model for three-dimensional mineral prospectivity mapping (3D MPM), effectively integrating structural and fluid information through a deep network architecture. Leveraging Convolutional Neural…