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

Although large-scale visual foundation models (VFMs) achieve remarkable performance in semantic understanding, they still underperform in instance-aware dense prediction tasks. They exhibit different biases in representation: for instance,…

The development of language models have moved from encoder-decoder to decoder-only designs. In addition, we observe that the two most popular multimodal tasks, the generative and contrastive tasks, are nontrivial to accommodate in one…

In this study, we explore the potential of using quantum natural language processing (QNLP) to inverse design metal-organic frameworks (MOFs) with targeted properties. Specifically, by analyzing 450 hypothetical MOF structures consisting of…

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Generative models powered by Large Language Models (LLMs) are emerging as a unified solution for powering both recommendation and search tasks. A key design choice in these models is how to represent items, traditionally through unique…

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Multimodal models, such as the Contrastive Language-Image Pre-training (CLIP) model, have demonstrated remarkable success in aligning visual and linguistic representations. However, these models exhibit limitations when applied to…

The Contrastive Language-Image Pre-training (CLIP) framework has become a widely used approach for multimodal representation learning, particularly in image-text retrieval and clustering. However, its efficacy is constrained by three key…

Predicting properties from coordinate-category data -- sets of vectors paired with categorical information -- is fundamental to computational science. In materials science, this challenge manifests as predicting properties like formation…

Computational Fluid Dynamics (CFD) is widely used in aerospace, energy, and biology to model fluid flow, heat transfer, and chemical reactions. While Large Language Models (LLMs) have transformed various domains, their application in CFD…

The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated…

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Autoregressive large language models (LLMs) pre-trained by next token prediction are inherently proficient in generative tasks. However, their performance on knowledge-driven tasks such as factual knowledge querying remains unsatisfactory.…

Parametric Computer-Aided Design (CAD) is central to contemporary mechanical design. However, it encounters challenges in achieving precise parametric sketch modeling and lacks practical evaluation metrics suitable for mechanical design. We…

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Multimodal semantic understanding often has to deal with uncertainty, which means the obtained messages tend to refer to multiple targets. Such uncertainty is problematic for our interpretation, including inter- and intra-modal uncertainty.…

To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have…

Multimodal Large Language Models (MLLMs) have emerged as a promising foundation for universal multimodal embeddings. Recent studies have shown that reasoning-driven generative multimodal embeddings can outperform discriminative embeddings…

Computer-Aided Design (CAD) plays a central role in engineering and manufacturing, making it possible to create precise and editable 3D models. Using a variety of sensor or user-provided data as inputs for CAD reconstruction can democratize…

Recent years have witnessed rapid advances in graph representation learning, with the continuous embedding approach emerging as the dominant paradigm. However, such methods encounter issues regarding parameter efficiency, interpretability,…