Runtime thermal management of high-performance chips depends on fast and accurate full-chip thermal maps. Conventional simulators typically estimate power traces from performance metrics first, which adds overhead. This work proposes TherMapNet, an attention-guided thermal simulator that predicts full-chip thermal maps directly from performance metrics. A Transformer encoder captures temporal evolution by treating the time series of each metric as a token, improving modeling of dynamic workloads. A CNN then extracts fine-grained spatial features. For the CNN, a dual-branch channel-spatial attention convolution module (DACM) and a triplet loss are used to improve spatial learning and reconstruction accuracy. TherMapNet is applied to a multi-core CPU (AMD Ryzen 7 4800U) and a many-core GPU (NVIDIA GeForce RTX 4060). Experiments show that it outperforms prior thermal simulators, with RMSE below 0.26 C and inference under 2.4 ms on an NVIDIA GeForce RTX 3090 GPU. These results indicate that TherMapNet can support high-quality runtime thermal management of modern multi-core chips.
In this work, we develop two main Machine Learning based approaches to predict the runtime parameters of highly scalable parallel chemistry computations.These approaches employ active and generative learning together with the empirically determined gradient boosted regression tree models chosen among a rich suite of machine learning models. When evaluated on Coupled-Cluster with Singles and Doubles computations, our models achieve a mean absolute error percentage (MAPE) as low as 0.023 and a coefficient of determination as high as 99.9%. Furthermore, when combined with active learning to mitigate the lack of large amounts of training data, our models score a MAPE about 0.2 with 20-25% of the original dataset.