Hongming Weng

Weida Wang, Dongchen Huang, Jiatong Li et al.

We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than 520 graduate-level meticulously curated questions covering both representative subfields and foundational theoretical frameworks of condensed matter physics, such as magnetism, superconductivity, strongly correlated systems, etc. To ensure a deep understanding of the problem-solving process,we focus exclusively on calculation problems, requiring LLMs to independently generate comprehensive solutions. Meanwhile, leveraging tree-based representations of expressions, we introduce the Scalable Expression Edit Distance (SEED) score, which provides fine-grained (non-binary) partial credit and yields a more accurate assessment of similarity between prediction and ground-truth. Our results show that even the best models, Grok-4, reach only 36 average SEED score and 28% accuracy on CMPhysBench, underscoring a significant capability gap, especially for this practical and frontier domain relative to traditional physics. The code anddataset are publicly available at https://github.com/CMPhysBench/CMPhysBench.

HuangChao Xu, Baohua Zhang, Zhong Jin et al.

Large language models (LLMs), such as ChatGPT, have demonstrated impressive performance in the text generation task, showing the ability to understand and respond to complex instructions. However, the performance of naive LLMs in speciffc domains is limited due to the scarcity of domain-speciffc corpora and specialized training. Moreover, training a specialized large-scale model necessitates signiffcant hardware resources, which restricts researchers from leveraging such models to drive advances. Hence, it is crucial to further improve and optimize LLMs to meet speciffc domain demands and enhance their scalability. Based on the condensed matter data center, we establish a material knowledge graph (MaterialsKG) and integrate it with literature. Using large language models and prompt learning, we develop a specialized dialogue system for topological materials called TopoChat. Compared to naive LLMs, TopoChat exhibits superior performance in structural and property querying, material recommendation, and complex relational reasoning. This system enables efffcient and precise retrieval of information and facilitates knowledge interaction, thereby encouraging the advancement on the ffeld of condensed matter materials.

Dongchen Huang, Junde Liu, Tian Qian et al.

De-noising is a prominent step in the spectra post-processing procedure. Previous machine learning-based methods are fast but mostly based on supervised learning and require a training set that may be typically expensive in real experimental measurements. Unsupervised learning-based algorithms are slow and require many iterations to achieve convergence. Here, we bridge this gap by proposing a training-set-free two-stage deep learning method. We show that the fuzzy fixed input in previous methods can be improved by introducing an adaptive prior. Combined with more advanced optimization techniques, our approach can achieve five times acceleration compared to previous work. Theoretically, we study the landscape of a corresponding non-convex linear problem, and our results indicates that this problem has benign geometry for first-order algorithms to converge.