Xiaoyu Yang

h-index35
2papers
4,363citations

2 Papers

1.2MTRL-SCIAug 22, 2023
Addressing the Accuracy-Cost Tradeoff in Material Property Prediction: A Teacher-Student Strategy

Dong Zhu, Zhikuang xin, Siming Zheng et al.

Deep learning has revolutionized the process of new material discovery, with state-of-the-art models now able to predict material properties based solely on chemical compositions, thus eliminating the necessity for material structures. However, this cost-effective method has led to a trade-off in model accuracy. Specifically, the accuracy of Chemical Composition-based Property Prediction Models (CPMs) significantly lags behind that of Structure-based Property Prediction Models (SPMs). To tackle this challenge, we propose an innovative Teacher-Student (T-S) strategy, where a pre-trained SPM serves as the 'teacher' to enhance the accuracy of the CPM. Leveraging the T-S strategy, T-S CrabNet has risen to become the most accurate model among current CPMs. Initially, we demonstrated the universality of this strategy. On the Materials Project (MP) and Jarvis datasets, we validated the effectiveness of the T-S strategy in boosting the accuracy of CPMs with two distinct network structures, namely CrabNet and Roost. This led to CrabNet, under the guidance of the T-S strategy, emerging as the most accurate model among the current CPMs. Moreover, this strategy shows remarkable efficacy in small datasets. When predicting the formation energy on a small MP dataset comprising merely 5% of the samples, the T-S strategy boosted CrabNet's accuracy by 37.1%, exceeding the enhancement effect of the T-S strategy on the whole dataset.

23.3LGAug 3, 2025
Drift-aware Collaborative Assistance Mixture of Experts for Heterogeneous Multistream Learning

En Yu, Jie Lu, Kun Wang et al.

Learning from multiple data streams in real-world scenarios is fundamentally challenging due to intrinsic heterogeneity and unpredictable concept drifts. Existing methods typically assume homogeneous streams and employ static architectures with indiscriminate knowledge fusion, limiting generalizability in complex dynamic environments. To tackle this gap, we propose CAMEL, a dynamic \textbf{C}ollaborative \textbf{A}ssistance \textbf{M}ixture of \textbf{E}xperts \textbf{L}earning framework. It addresses heterogeneity by assigning each stream an independent system with a dedicated feature extractor and task-specific head. Meanwhile, a dynamic pool of specialized private experts captures stream-specific idiosyncratic patterns. Crucially, collaboration across these heterogeneous streams is enabled by a dedicated assistance expert. This expert employs a multi-head attention mechanism to distill and integrate relevant context autonomously from all other concurrent streams. It facilitates targeted knowledge transfer while inherently mitigating negative transfer from irrelevant sources. Furthermore, we propose an Autonomous Expert Tuner (AET) strategy, which dynamically manages expert lifecycles in response to drift. It instantiates new experts for emerging concepts (freezing prior ones to prevent catastrophic forgetting) and prunes obsolete ones. This expert-level plasticity provides a robust and efficient mechanism for online model capacity adaptation. Extensive experiments demonstrate CAMEL's superior generalizability across diverse multistreams and exceptional resilience against complex concept drifts.