Xin Yang

Xuyang Guo, Zhao Song, Xin Yang et al.

As large language models (LLMs) demonstrate outstanding performance across various tasks, attention-driven models have profoundly transformed the field of machine learning. Since attention computations account for the primary computational overhead in both model inference and training, efficiently computing attention matrices has become one of the core challenges in accelerating large language models. It is well-known that quantum machines possess computational advantages over classical machines, and the role of quantum computing in LLMs remains largely unexplored. In this work, we focus on leveraging the Grover search algorithm to efficiently compute a sparse attention matrix. Through comparisons with classical algorithms, we demonstrate that our method achieves quantum acceleration in polynomial time. Additionally, we observe that the generated quantum attention matrices naturally exhibit low-rank structures, providing further theoretical support for efficient modeling. Moreover, within the specific context of attention matrix computation, we conduct a systematic and detailed analysis of the error and time complexity of the proposed algorithm.

Chenru Duan, Aditya Nandy, Shyam Chand Pal et al.

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 that can autonomously propose and synthesize in the laboratory new porous reticular structures on demand. We outline the progress of employing deep learning models, such as variational autoencoders, diffusion models, and large language model-based agents, that are fueled by the growing amount of available data from the MOF community and suggest novel crystalline materials designs. These generative tools can be combined with high-throughput computational screening and even automated experiments to form accelerated, closed-loop discovery pipelines. The result is a new paradigm for reticular chemistry in which AI algorithms more efficiently direct the search for high-performance MOF materials for clean air and energy applications. Finally, we highlight remaining challenges such as synthetic feasibility, dataset diversity, and the need for further integration of domain knowledge.