相关论文: LLM Meets Diffusion: A Hybrid Framework for Crysta…

Recently, diffusion models have excelled in image generation tasks and have also been applied to neural language processing (NLP) for controllable text generation. However, the application of diffusion models in a cross-lingual setting is…

Crystalline materials often exhibit a high level of symmetry. However, most generative models do not account for symmetry, but rather model each atom without any constraints on its position or element. We propose a generative model, Wyckoff…

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the…

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

We present EasyGen, an efficient model designed to enhance multimodal understanding and generation by harnessing the capabilities of diffusion models and large language models (LLMs), Unlike existing multimodal models that predominately…

Large-scale diffusion models have achieved remarkable success in generating high-quality images from textual descriptions, gaining popularity across various applications. However, the generation of layered content, such as transparent…

Autoregressive Models (ARMs) have long dominated the landscape of Large Language Models. Recently, a new paradigm has emerged in the form of diffusion-based Large Language Models (dLLMs), which generate text by iteratively denoising masked…

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

This paper does not describe a new method; instead, it provides a thorough exploration of an important yet understudied design space related to recent advances in text-to-image synthesis -- specifically, the deep fusion of large language…

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for…

Diffusion-based large language models (dLLMs) have shown promising performance across various reasoning tasks, establishing themselves as an alternative to autoregressive large language models (LLMs). Unlike autoregressive LLMs that…

Recent advancements in text-to-image models, particularly diffusion models, have shown significant promise. However, compositional text-to-image models frequently encounter difficulties in generating high-quality images that accurately…

Generating visual layouts is an essential ingredient of graphic design. The ability to condition layout generation on a partial subset of component attributes is critical to real-world applications that involve user interaction. Recently,…

The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of stable crystal structures within an infinite design space.…

Feature transformation enhances data representation by deriving new features from the original data. Generative AI offers potential for this task, but faces challenges in stable generation (consistent outputs) and valid generation…

Diffusion large language models (dLLMs) are compelling alternatives to autoregressive (AR) models because their denoising models operate over the entire sequence. The global planning and iterative refinement features of dLLMs are…

Multimodal learning has rapidly advanced visual understanding, largely via multimodal large language models (MLLMs) that use powerful LLMs as cognitive cores. In visual generation, however, these powerful core models are typically reduced…

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

The paradigm of Large Language Models (LLMs) is currently defined by auto-regressive (AR) architectures, which generate text through a sequential ``brick-by-brick'' process. Despite their success, AR models are inherently constrained by a…

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures…