MicroEvoEval: A Systematic Evaluation Framework for Image-Based Microstructure Evolution Prediction

Simulating microstructure evolution (MicroEvo) is vital for materials design but demands high numerical accuracy, efficiency, and physical fidelity. Although recent studies on deep learning (DL) offer a promising alternative to traditional solvers, the field lacks standardized benchmarks. Existing studies are flawed due to a lack of comparing specialized MicroEvo DL models with state-of-the-art spatio-temporal architectures, an overemphasis on numerical accuracy over physical fidelity, and a failure to analyze error propagation over time. To address these gaps, we introduce MicroEvoEval, the first comprehensive benchmark for image-based microstructure evolution prediction. We evaluate 14 models, encompassing both domain-specific and general-purpose architectures, across four representative MicroEvo tasks with datasets specifically structured for both short- and long-term assessment. Our multi-faceted evaluation framework goes beyond numerical accuracy and computational cost, incorporating a curated set of structure-preserving metrics to assess physical fidelity. Our extensive evaluations yield several key insights. Notably, we find that modern architectures (e.g., VMamba), not only achieve superior long-term stability and physical fidelity but also operate with an order-of-magnitude greater computational efficiency. The results highlight the necessity of holistic evaluation and identify these modern architectures as a highly promising direction for developing efficient and reliable surrogate models in data-driven materials science.

A Hybrid Loss Framework for Decomposition-based Time Series Forecasting Methods: Balancing Global and Component Errors

Accurate time series forecasting, predicting future values based on past data, is crucial for diverse industries. Many current time series methods decompose time series into multiple sub-series, applying different model architectures and training with an end-to-end overall loss for forecasting. However, this raises a question: does this overall loss prioritize the importance of critical sub-series within the decomposition for the better performance? To investigate this, we conduct a study on the impact of overall loss on existing time series methods with sequence decomposition. Our findings reveal that overall loss may introduce bias in model learning, hindering the learning of the prioritization of more significant sub-series and limiting the forecasting performance. To address this, we propose a hybrid loss framework combining the global and component losses. This framework introduces component losses for each sub-series alongside the original overall loss. It employs a dual min-max algorithm to dynamically adjust weights between the overall loss and component losses, and within component losses. This enables the model to achieve better performance of current time series methods by focusing on more critical sub-series while still maintaining a low overall loss. We integrate our loss framework into several time series methods and evaluate the performance on multiple datasets. Results show an average improvement of 0.5-2% over existing methods without any modifications to the model architectures.