相关论文: CatalyticMLLM: A Graph-Text Multimodal Large Langu…

Covalent Organic Frameworks (COFs) are versatile two-dimensional (2D) materials for flexible electronics, catalysis, and sensing, owing to their tunable architectures and large surface areas. However, like most materials, COFs inevitably…

Current large vision-language models (LVLMs) typically employ a connector module to link visual features with text embeddings of large language models (LLMs) and use end-to-end training to achieve multi-modal understanding in a unified…

Adsorption energy is a reactivity descriptor that must be accurately predicted for effective machine learning (ML) application in catalyst screening. This process involves determining the lowest energy across various adsorption…

Microwell microfluidics has been utilized for single-cell analysis to reveal heterogeneity in gene expression, signaling pathways, and phenotypic responses for identifying rare cell types, understanding disease progression, and developing…

Metamaterials are emerging as a new paradigmatic material system to render unprecedented and tailorable properties for a wide variety of engineering applications. However, the inverse design of metamaterial and its multiscale system is…

We present a multimodal deep learning (MDL) framework for predicting physical properties of a 10-dimensional acrylic polymer composite material by merging physical attributes and chemical data. Our MDL model comprises four modules,…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

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…

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…

In this work, we present an information-theoretic framework that formulates cross-lingual language model pre-training as maximizing mutual information between multilingual-multi-granularity texts. The unified view helps us to better…

Inverse graphics -- the task of inverting an image into physical variables that, when rendered, enable reproduction of the observed scene -- is a fundamental challenge in computer vision and graphics. Successfully disentangling an image…

This work investigates a challenging task named open-domain interleaved image-text generation, which generates interleaved texts and images following an input query. We propose a new interleaved generation framework based on prompting…

With the powerful reasoning capabilities of large language models (LLMs) and vision-language models (VLMs), many recent works have explored using them for decision-making. However, most of these approaches rely solely on language-based…

We present a solver-agnostic framework in which coordinated large language model (LLM) agents autonomously execute the complete computational mechanics workflow, from perceptual data of an engineering component through geometry extraction,…

Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials…

Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle…

In this paper, we introduce Cross-View Language Modeling, a simple and effective pre-training framework that unifies cross-lingual and cross-modal pre-training with shared architectures and objectives. Our approach is motivated by a key…

This study addresses the challenge of accurately identifying multi-task contention types in high-dimensional system environments and proposes a unified contention classification framework that integrates representation transformation,…

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

Machine learning (ML) is widely used to explore crystal materials and predict their properties. However, the training is time-consuming for deep-learning models, and the regression process is a black box that is hard to interpret. Also, the…