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Stephen Yue

Publications and source records attributed to Stephen Yue.

5 recordsLinked to original sources

Multitask-Informed Prior for In-Context Learning on Tabular Data: Application to Steel Property Prediction

Accurate prediction of mechanical properties of steel during hot rolling processes, such as Thin Slab Direct Rolling (TSDR), remains challenging due to complex interactions among chemical compositions, processing parameters, and resultant microstructures. Traditional empirical and experimental methodologies, while effective, are often resource-intensive and lack adaptability to varied production conditions. Moreover, most existing approaches do not explicitly leverage the strong correlations among key mechanical properties, missing an opportunity to improve predictive accuracy through multitask learning. To address this, we present a multitask learning framework that injects multitask awareness into the prior of TabPFN--a transformer-based foundation model for in-context learning on tabular data--through novel fine-tuning strategies. Originally designed for single-target regression or classification, we augment TabPFN's prior with two complementary approaches: (i) target averaging, which provides a unified scalar signal compatible with TabPFN's single-target architecture, and (ii) task-specific adapters, which introduce task-specific supervision during fine-tuning. These strategies jointly guide the model toward a multitask-informed prior that captures cross-property relationships among key mechanical metrics. Extensive experiments on an industrial TSDR dataset demonstrate that our multitask adaptations outperform classical machine learning methods and recent state-of-the-art tabular learning models across multiple evaluation metrics. Notably, our approach enhances both predictive accuracy and computational efficiency compared to task-specific fine-tuning, demonstrating that multitask-aware prior adaptation enables foundation models for tabular data to deliver scalable, rapid, and reliable deployment for automated industrial quality control and process optimization in TSDR.

cs.LG

Hydrogen trapping in sub-stoichiometric niobium and vanadium carbide precipitates in high-strength steels

High-strength steel is a structural metal crucial for load-bearing components yet is known to be highly susceptible to hydrogen embrittlement (HE). Vanadium (V) and niobium (Nb) containing precipitated carbides introduce strong hydrogen traps to immobilize hydrogen, thus mitigating HE. However, variations in intrinsic vacancy concentrations in these carbides affect hydrogen thermodynamics and kinetics but remain poorly understood. Employing first-principles calculations, hydrogen trapping and diffusion in V/Nb carbides were investigated. Hydrogen dissolution energies are composition-dependent, revealing a transition from reversible to irreversible trapping with increasing carbon vacancy content, prescribed by the strength of covalent bonds with neighboring V/Nb atoms. Meanwhile, the diffusion energy barrier decreases with increasing carbon vacancy content, attributed to changes in vacancy patterns within carbides. The findings contribute new and critical knowledge for understanding hydrogen trapping and diffusion in sub-stoichiometric V/Nb carbides, providing valuable guidance for process and composition innovation of high-strength alloy steels for better HE resistance.

cond-mat.mtrl-sci

First Principles Studies of Stacking Fault Energies in Ternary Magnesium Alloys

Magnesium (Mg) alloys have emerged as promising materials due to their low density and high strength-to-weight ratio, offering a wide range of applications across multiple industries. Nevertheless, the inherent brittleness of Mg alloys poses a significant hurdle, necessitating innovative approaches to enhance their mechanical performance. Among the various strategies, manipulating stacking fault energy (SFE) has been a key focus, although primarily within the realm of binary alloys. This study investigates SFE in Mg alloys, focusing on ternary compositions. Utilizing first-principles DFT calculations, we analyze solute interactions and their influence on SFE, particularly in Mg-Al-X and Mg-Zn-X configurations. Predictive models are developed for estimating SFE effects, revealing solute pairs that mimic rare earth elements and show potential for improved ductility. The findings contribute to fundamental insights into Mg alloy behavior, offering practical directions for designing advanced materials with superior mechanical properties.

cond-mat.mtrl-sci

MatSegNet: a New Boundary-aware Deep Learning Model for Accurate Carbide Precipitate Analysis in High-Strength Steels

Lower Bainite (LB) and Tempered Martensite (TM) are two common microstructures in modern high-strength steels. LB and TM can render similar mechanical properties for steels, yet LB is often considered superior to TM in resistance to hydrogen embrittlement. Such performance difference has conventionally been attributed to their distinction in certain microstructural features, particularly carbides. The present study developed, MatSegNet, a new contour-aware deep learning (DL) architecture. It is tailored for comprehensive segmentation and quantitative characterization of carbide precipitates with complex contours in high-strength steels, shown to outperform existing state-of-the-art DL architectures. Based on MatSegNet, a high-throughput DL pipeline has been established for precise comparative carbide analysis in LB and TM. The results showed that statistically the two microstructures exhibit similarity in key carbide characteristics with marginal difference, cautioning against the conventional use of carbide orientation as a reliable means to differentiate LB and TM in practice. Through MatSegNet, this work demonstrated the potential of DL to play a critical role in enabling accurate and quantitative microstructure characterization to facilitate development of structure-property relationships for accelerating materials innovation.

cs.CV

A novel approach to assess hydrogen embrittlement (HE) susceptibility and mechanisms in high strength martensitic steels

A rapid fracture test in four-point bending is proposed to assess hydrogen embrittlement (HE) susceptibility of high strength martensitic steels. The novelty of this technique is the rapid rate of loading, whereas conventional approaches require prolonged slow strain rate testing. The essential fractographic features required to identify the mechanisms of HE failure remain evident, despite the fast loading conditions. To demonstrate these attributes, two quenched and tempered steels at two different strength levels were tested, with and without pre-charging of hydrogen. Stress coupled hydrogen diffusion finite element analysis (FEA) was performed to calculate both stress and hydrogen concentration distributions. In addition to fractographic analysis, a mechanistic description rooted in hydrogen enhanced decohesion (HEDE) mechanism was used to corroborate the mechanical test data. The study shows that the approach is capable of quantifying HE susceptibility by being responsive to key factors affecting hydrogen induced fracture, thus developing further understanding on the HE of martensitic steels.

cond-mat.mtrl-sci