相关论文: Invariant Tokenization of Crystalline Materials fo…

Language model (LM)-based speech enhancement (SE) can generate natural-sounding speech, but under severe noise it often suffers from unreliable conditioning, leading to perceptually plausible yet linguistically incorrect outputs. To address…

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

In recent years, progress has been made in generating new crystalline materials using generative machine learning models, though gaps remain in efficiently generating crystals based on target properties. This paper proposes the Con-CDVAE…

Existing Large Language Models (LLMs) generate text through unidirectional autoregressive decoding methods to respond to various user queries. These methods tend to consider token selection in a simple sequential manner, making it easy to…

Large-scale text-guided image diffusion models have shown astonishing results in text-to-image (T2I) generation. However, applying these models to synthesize textures for 3D geometries remains challenging due to the domain gap between 2D…

The application of large language models (LLMs) to chemistry is frequently hampered by a "tokenization bottleneck", where tokenizers tuned on general-domain text tend to fragment chemical representations such as SMILES into semantically…

Due to advances in Large Language Models (LLMs) such as ChatGPT, the boundary between human-written text and AI-generated text has become blurred. Nevertheless, recent work has demonstrated that it is possible to reliably detect…

Most existing 3D shape datasets and models focus solely on geometry, overlooking the material properties that determine how objects appear. We introduce a two-stage large language model (LLM) based method for inferring material composition…

Generating coherent and useful image/video scenes from a free-form textual description is technically a very difficult problem to handle. Textual description of the same scene can vary greatly from person to person, or sometimes even for…

In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…

Recent strides in Text-to-3D techniques have been propelled by distilling knowledge from powerful large text-to-image diffusion models (LDMs). Nonetheless, existing Text-to-3D approaches often grapple with challenges such as…

In almost all text generation applications, word sequences are constructed in a left-to-right (L2R) or right-to-left (R2L) manner, as natural language sentences are written either L2R or R2L. However, we find that the natural language…

Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…

The celebrated Seq2Seq technique and its numerous variants achieve excellent performance on many tasks such as neural machine translation, semantic parsing, and math word problem solving. However, these models either only consider input…

In this paper, we address the challenging problem of long-term 3D human motion generation. Specifically, we aim to generate a long sequence of smoothly connected actions from a stream of multiple sentences (i.e., paragraph). Previous…

Extracting tables from documents is a crucial task in any document conversion pipeline. Recently, transformer-based models have demonstrated that table-structure can be recognized with impressive accuracy using Image-to-Markup-Sequence…

Computational modelling of materials using machine learning, ML, and historical data has become integral to materials research. The efficiency of computational modelling is strongly affected by the choice of the numerical representation for…

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control…

The adaptation of Large-Scale Language Models (LLMs) to specific domains depends on high-quality fine-tuning datasets, particularly in instructional format (e.g., Question-Answer - Q&A). However, generating these datasets, particularly from…