Zhuo Yang

Jiarui Xie, Zhuo Yang, Chun-Chun Hu et al.

Powder bed fusion (PBF) is an emerging metal additive manufacturing (AM) technology that enables rapid fabrication of complex geometries. However, defects such as pores and balling may occur and lead to structural unconformities, thus compromising the mechanical performance of the part. This has become a critical challenge for quality assurance as the nature of some defects is stochastic during the process and invisible from the exterior. To address this issue, digital twin (DT) using machine learning (ML)-based modeling can be deployed for AM process monitoring and control. Melt pool is one of the most commonly observed physical phenomena for process monitoring, usually by high-speed cameras. Once labeled and preprocessed, the melt pool images are used to train ML-based models for DT applications such as process anomaly detection and print quality evaluation. Nonetheless, the reusability of DTs is restricted due to the wide variability of AM settings, including AM machines and monitoring instruments. The performance of the ML models trained using the dataset collected from one setting is usually compromised when applied to other settings. This paper proposes a knowledge transfer pipeline between different AM settings to enhance the reusability of AM DTs. The source and target datasets are collected from the National Institute of Standards and Technology and National Cheng Kung University with different cameras, materials, AM machines, and process parameters. The proposed pipeline consists of four steps: data preprocessing, data augmentation, domain alignment, and decision alignment. Compared with the model trained only using the source dataset, this pipeline increased the melt pool anomaly detection accuracy by 31% without any labeled training data from the target dataset.

Jiaqing Xie, Weida Wang, Ben Gao et al.

Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative Chemistry oriented benchmark comprising 350 computational chemistry problems across 7 chemistry subfields, which contains analytical chemistry, bio/organic chemistry, general chemistry, inorganic chemistry, physical chemistry, polymer chemistry and quantum chemistry. To systematically evaluate the mathematical reasoning abilities of large language models (LLMs), they are categorized into three tiers: easy, medium, and difficult. Each problem, rooted in realistic chemical scenarios, is structured to prevent heuristic shortcuts and demand explicit numerical reasoning. QCBench enables fine-grained diagnosis of computational weaknesses, reveals model-specific limitations across difficulty levels, and lays the groundwork for future improvements such as domain-adaptive fine-tuning or multi-modal integration. Evaluations on 24 LLMs demonstrate a consistent performance degradation with increasing task complexity, highlighting the current gap between language fluency and scientific computation accuracy. Code for QCBench is available at https://github.com/jiaqingxie/QCBench.