相关论文: Materium: An Autoregressive Approach for Material …

Autoregressive Transformer models have demonstrated impressive performance in video generation, but their sequential token-by-token decoding process poses a major bottleneck, particularly for long videos represented by tens of thousands of…

We propose a transformer architecture and training strategy for tree generation. The architecture processes data at multiple resolutions and has an hourglass shape, with middle layers processing fewer tokens than outer layers. Similar to…

The digital industry demands high-quality, diverse modular 3D assets, especially for user-generated content~(UGC). In this work, we introduce AssetFormer, an autoregressive Transformer-based model designed to generate modular 3D assets from…

Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated…

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely…

Inspired by generative paradigms in image and video, 3D shape generation has made notable progress, enabling the rapid synthesis of high-fidelity 3D assets from a single image. However, current methods still face challenges, including the…

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…

The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. Quickly generating and predicting inorganic crystal structures is important for…

Most recent advances in 3D generative modeling rely on diffusion or flow-matching formulations. We instead explore a fully autoregressive alternative and introduce GaussianGPT, a transformer-based model that directly generates 3D Gaussians…

Autoregressive image modeling relies on visual tokenizers to compress images into compact latent representations. We design an end-to-end training pipeline that jointly optimizes reconstruction and generation, enabling direct supervision…

Designing inorganic crystalline materials with tailored properties is critical to technological innovation, yet current generative computational methods often struggle to efficiently explore desired targets with sufficient interpretability.…

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…

Generative models hold great promise for accelerating material discovery but are often limited by their inflexible single-stage generative process in designing valid and diverse materials. To address this, we propose a two-stage generative…

Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…

Automatic 3D content creation seeks to replace labor-intensive modeling and scanning pipelines with systems that can synthesize or recover 3D assets directly from text or images. Its applications span video games, virtual reality, robotics,…

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and…

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior…