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Huabin Zhang

Publications and source records attributed to Huabin Zhang.

7 recordsLinked to original sources
arXiv2025

Boron-assisted synthesis of compositionally complex amorphous oxides via short-range-order-constrained generative design

Engineering short-range atomic order in amorphous materials offers a promising yet still underexplored route to high-performance solids. Here, we establish a boron-assisted amorphization strategy through ApolloX, a theory-guided, short-range-order-constrained generative framework for identifying low-energy amorphous configurations in compositionally complex multimetal BOx systems. Using FeCoNiMoBOx as a representative model platform, ApolloX predicts an ensemble of candidate amorphous configurations across systematically varied boron contents. Ab initio molecular dynamics simulations based on these configurations show that increasing boron content suppresses atomic diffusion and disfavors crystallization, with the stabilization of BO3-centered local motifs emerging as a key structural feature associated with enhanced amorphization propensity. Guided by these predictions, we synthesize three representative FeCoNiMoBOx compositions with distinct boron contents and use synchrotron-based scattering and electron microscopy to verify compositional fidelity, structural homogeneity, and the targeted amorphous features, thereby experimentally validating the boron-regulated structural evolution predicted by theory. Beyond this representative system, the same strategy is extended to a broader library of multimetal BOx amorphous compositions spanning diverse metal combinations and boron loadings, demonstrating that the boron-assisted route is not limited to a single FeCoNiMoBOx family but is broadly transferable across compositionally complex amorphous oxides. Overall, our results establish boron incorporation as a practical design variable for tuning short-range order and amorphization in multicomponent oxides, and provide a general framework for the theory-guided discovery of compositionally complex amorphous materials with tunable properties.

cond-mat.mtrl-sci↗
arXiv2024

CEST-KAN: Kolmogorov-Arnold Networks for CEST MRI Data Analysis

Purpose: This study aims to propose and investigate the feasibility of using Kolmogorov-Arnold Network (KAN) for CEST MRI data analysis (CEST-KAN). Methods: CEST MRI data were acquired from twelve healthy volunteers at 3T. Data from ten subjects were used for training, while the remaining two were reserved for testing. The performance of multi-layer perceptron (MLP) and KAN models with the same network settings were evaluated and compared to the conventional multi-pool Lorentzian fitting (MPLF) method in generating water and multiple CEST contrasts, including amide, relayed nuclear Overhauser effect (rNOE), and magnetization transfer (MT). Results: The water and CEST maps generated by both MLP and KAN were visually comparable to the MPLF results. However, the KAN model demonstrated higher accuracy in extrapolating the CEST fitting metrics, as evidenced by the smaller validation loss during training and smaller absolute error during testing. Voxel-wise correlation analysis showed that all four CEST fitting metrics generated by KAN consistently exhibited higher Pearson coefficients than the MLP results, indicating superior performance. Moreover, the KAN models consistently outperformed the MLP models in varying hidden layer numbers despite longer training time. Conclusion: In this study, we demonstrated for the first time the feasibility of utilizing KAN for CEST MRI data analysis, highlighting its superiority over MLP in this task. The findings suggest that CEST-KAN has the potential to be a robust and reliable post-analysis tool for CEST MRI in clinical settings.

physics.med-ph↗
arXiv2024

Dual-Channel Reliable Breast Ultrasound Image Classification Based on Explainable Attribution and Uncertainty Quantification

This paper focuses on the classification task of breast ultrasound images and researches on the reliability measurement of classification results. We proposed a dual-channel evaluation framework based on the proposed inference reliability and predictive reliability scores. For the inference reliability evaluation, human-aligned and doctor-agreed inference rationales based on the improved feature attribution algorithm SP-RISA are gracefully applied. Uncertainty quantification is used to evaluate the predictive reliability via the Test Time Enhancement. The effectiveness of this reliability evaluation framework has been verified on our breast ultrasound clinical dataset YBUS, and its robustness is verified on the public dataset BUSI. The expected calibration errors on both datasets are significantly lower than traditional evaluation methods, which proves the effectiveness of our proposed reliability measurement.

eess.IV↗
arXiv2022

Enabling Heterogeneous Catalysis to Achieve Carbon Neutrality: Directional Catalytic Conversion of CO$_2$ into Carboxylic Acids

The increase in anthropogenic carbon dioxide (CO$_2$) emissions has exacerbated the deterioration of the global environment, which should be controlled to achieve carbon neutrality. Central to the core goal of achieving carbon neutrality is the utilization of CO$_2$ under economic and sustainable conditions. Recently, the strong need for carbon neutrality has led to a proliferation of studies on the direct conversion of CO$_2$ into carboxylic acids, which could effectively alleviate CO$_2$ emissions and create high-value chemicals. The purpose of this review is to present the application prospects of carboxylic acids and the basic principles of CO$_2$ conversion into carboxylic acids through photo-, electric-, and thermal catalysis. Special attention is focused on the regulation strategy of the activity of abundant catalysts at the molecular level, inspiring the preparation of high-performance catalysts. In addition, theoretical calculation, advanced technologies, and numerous typical examples are introduced to elaborate on the corresponding process and influencing factors of catalytic activity. Finally, challenges and prospects are provided for the future development of this field. It is hoped that this review contributes to a deeper understanding of the conversion of CO$_2$ into carboxylic acids and inspires more innovative breakthroughs

physics.chem-ph↗
arXiv2022

BSM loss: A superior way in modeling aleatory uncertainty of fine_grained classification

Artificial intelligence(AI)-assisted method had received much attention in the risk field such as disease diagnosis. Different from the classification of disease types, it is a fine-grained task to classify the medical images as benign or malignant. However, most research only focuses on improving the diagnostic accuracy and ignores the evaluation of model reliability, which limits its clinical application. For clinical practice, calibration presents major challenges in the low-data regime extremely for over-parametrized models and inherent noises. In particular, we discovered that modeling data-dependent uncertainty is more conducive to confidence calibrations. Compared with test-time augmentation(TTA), we proposed a modified Bootstrapping loss(BS loss) function with Mixup data augmentation strategy that can better calibrate predictive uncertainty and capture data distribution transformation without additional inference time. Our experiments indicated that BS loss with Mixup(BSM) model can halve the Expected Calibration Error(ECE) compared to standard data augmentation, deep ensemble and MC dropout. The correlation between uncertainty and similarity of in-domain data is up to -0.4428 under the BSM model. Additionally, the BSM model is able to perceive the semantic distance of out-of-domain data, demonstrating high potential in real-world clinical practice.

cs.CV↗
arXiv2022

AI assisted method for efficiently generating breast ultrasound screening reports

Background: Ultrasound is one of the preferred choices for early screening of dense breast cancer. Clinically, doctors have to manually write the screening report which is time-consuming and laborious, and it is easy to miss and miswrite. Aim: We proposed a new pipeline to automatically generate AI breast ultrasound screening reports based on ultrasound images, aiming to assist doctors in improving the efficiency of clinical screening and reducing repetitive report writing. Methods: AI was used to efficiently generate personalized breast ultrasound screening preliminary reports, especially for benign and normal cases which account for the majority. Based on the preliminary AI report, doctors then make simple adjustments or corrections to quickly generate the final report. The approach has been trained and tested using a database of 4809 breast tumor instances. Results: Experimental results indicate that this pipeline improves doctors' work efficiency by up to 90%, which greatly reduces repetitive work. Conclusion: Personalized report generation is more widely recognized by doctors in clinical practice compared with non-intelligent reports based on fixed templates or containing options to fill in the blanks.

eess.IV↗
arXiv2021

More Reliable AI Solution: Breast Ultrasound Diagnosis Using Multi-AI Combination

Objective: Breast cancer screening is of great significance in contemporary women's health prevention. The existing machines embedded in the AI system do not reach the accuracy that clinicians hope. How to make intelligent systems more reliable is a common problem. Methods: 1) Ultrasound image super-resolution: the SRGAN super-resolution network reduces the unclearness of ultrasound images caused by the device itself and improves the accuracy and generalization of the detection model. 2) In response to the needs of medical images, we have improved the YOLOv4 and the CenterNet models. 3) Multi-AI model: based on the respective advantages of different AI models, we employ two AI models to determine clinical resuls cross validation. And we accept the same results and refuses others. Results: 1) With the help of the super-resolution model, the YOLOv4 model and the CenterNet model both increased the mAP score by 9.6% and 13.8%. 2) Two methods for transforming the target model into a classification model are proposed. And the unified output is in a specified format to facilitate the call of the molti-AI model. 3) In the classification evaluation experiment, concatenated by the YOLOv4 model (sensitivity 57.73%, specificity 90.08%) and the CenterNet model (sensitivity 62.64%, specificity 92.54%), the multi-AI model will refuse to make judgments on 23.55% of the input data. Correspondingly, the performance has been greatly improved to 95.91% for the sensitivity and 96.02% for the specificity. Conclusion: Our work makes the AI model more reliable in medical image diagnosis. Significance: 1) The proposed method makes the target detection model more suitable for diagnosing breast ultrasound images. 2) It provides a new idea for artificial intelligence in medical diagnosis, which can more conveniently introduce target detection models from other fields to serve medical lesion screening.

cs.CV↗