相关论文: Invariant Tokenization of Crystalline Materials fo…

We introduce Metis, a foundation model for unified speech generation. Unlike previous task-specific or multi-task models, Metis follows a pre-training and fine-tuning paradigm. It is pre-trained on large-scale unlabeled speech data using…

We consider the problem of generating periodic materials with deep models. While symmetry-aware molecule generation has been studied extensively, periodic materials possess different symmetries, which have not been completely captured by…

Recent progress in text-to-3D object generation enables the synthesis of detailed geometry from text input by leveraging 2D diffusion models and differentiable 3D representations. However, the approaches often suffer from limited…

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.…

Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular…

Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules.…

Knowledge Distillation (KD) has emerged as a prominent technique for model compression. However, conventional KD approaches primarily focus on homogeneous architectures with identical tokenizers, constraining their applicability in…

Generative design marks a significant data-driven advancement in the exploration of novel inorganic materials, which entails learning the symmetry equivalent to the crystal structure prediction (CSP) task and subsequent learning of their…

Learning to predict masked tokens in a sequence has been shown to be a helpful pretraining objective for powerful language models such as PaLM2. After training, such masked language models (MLMs) can provide distributions of tokens in the…

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…

Code generation is increasingly critical for real-world applications. Still, diffusion-based large language models continue to struggle with this demand. Unlike free-form text, code requires syntactic precision; even minor structural…

Neural sequence-to-sequence models are finding increasing use in editing of documents, for example in correcting a text document or repairing source code. In this paper, we argue that common seq2seq models (with a facility to copy single…

Embedding-based retrieval models have made significant strides in retrieval-augmented generation (RAG) techniques for text and multimodal large language models (LLMs) applications. However, when it comes to speech larage language models…

Large Language Models (LLMs) have revolutionized the ability to understand and generate text, enabling significant progress in automatic knowledge graph construction from text (Text2KG). Many Text2KG methods, however, rely on iterative LLM…

Graph neural networks are widely used in machine learning applied to chemistry, and in particular for material science discovery. For crystalline materials, however, generating graph-based representation from geometrical information for…

Training native 3D texture generative models remains a fundamental yet challenging problem, largely due to the limited availability of large-scale, high-quality 3D texture datasets. This scarcity hinders generalization to real-world…

Large Language Models(LLMs) have revolutionized text generation and multimodal perception,but their capabilities in 3D content generation remain underexplored. Existing methods compromise by producing either low-resolution meshes or coarse…

Deep learning models generalize well to in-distribution data but struggle to generalize compositionally, i.e., to combine a set of learned primitives to solve more complex tasks. In sequence-to-sequence (seq2seq) learning, transformers are…

Text-to-Motion (T2M) generation aims to synthesize realistic human motion sequences from natural language descriptions. While two-stage frameworks leveraging discrete motion representations have advanced T2M research, they often neglect…

Crystal material representation is the foundation of crystal material research. Existing works consider crystal molecules as graph data with different representation methods and leverage the advantages of techniques in graph learning. A…