相关论文: A Comprehensive and Versatile Multimodal Deep Lear…

Vision-Language Models (VLMs) have shown strong performance in tasks like visual question answering and multimodal text generation, but their effectiveness in scientific domains such as materials science remains limited. While some machine…

Is there a way for a designer to evaluate the performance of a given hood frame geometry without spending significant time on simulation setup? This paper seeks to address this challenge by developing a multimodal machine-learning (MMML)…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Conventional multimodal recommender systems predominantly leverage Bayesian Personalized Ranking (BPR) optimization to learn item representations by amalgamating item identity (ID) embeddings with multimodal features. Nevertheless, our…

We propose new methodologies in multi-dimensional unfolding in dense environments, and show that incorporating auxiliary observables can significantly improve performance. Our approach builds on the ML-based OmniFold algorithm, which we…

Crystal graph neural networks are widely applicable in modeling experimentally synthesized compounds and hypothetical materials with unknown synthesizability. In contrast, structure-agnostic predictive algorithms allow exploring previously…

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

Multi-Domain Learning (MDL) refers to the problem of learning a set of models derived from a common deep architecture, each one specialized to perform a task in a certain domain (e.g., photos, sketches, paintings). This paper tackles MDL…

Polyacrylonitrile (PAN) is an important commercial polymer, bearing atactic stereochemistry resulting from nonselective radical polymerization. As such, an accurate, fundamental understanding of governing interactions among PAN molecular…

This paper presents a hardness-aware deep metric learning (HDML) framework. Most previous deep metric learning methods employ the hard negative mining strategy to alleviate the lack of informative samples for training. However, this mining…

Deep metric learning (DML) is a cornerstone of many computer vision applications. It aims at learning a mapping from the input domain to an embedding space, where semantically similar objects are located nearby and dissimilar objects far…

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Multimodal Contrastive Learning (MCL) advances in aligning different modalities and generating multimodal representations in a joint space. By leveraging contrastive learning across diverse modalities, large-scale multimodal data enhances…

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…

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…