Efficacy of Neural Prediction-Based NAS for Zero-Shot NAS Paradigm

Abstract: In prediction-based Neural Architecture Search (NAS), performance indicators derived from graph convolutional networks have shown significant success. These indicators, achieved by representing feed-forward structures as component graphs through one-hot encoding, face a limitation: their inability to evaluate architecture performance across varying search spaces. In contrast, handcrafted performance indicators (zero-shot NAS), which use the same architecture with random initialization, can generalize across multiple search spaces. Addressing this limitation, we propose a novel approach for zero-shot NAS using deep learning. Our method employs Fourier sum of sines encoding for convolutional kernels, enabling the construction of a computational feed-forward graph with a structure similar to the architecture under evaluation. These encodings are learnable and offer a comprehensive view of the architecture's topological information. An accompanying multi-layer perceptron (MLP) then ranks these architectures based on their encodings. Experimental results show that our approach surpasses previous methods using graph convolutional networks in terms of correlation on the NAS-Bench-201 dataset and exhibits a higher convergence rate. Moreover, our extracted feature representation trained on each NAS-Benchmark is transferable to other NAS-Benchmarks, showing promising generalizability across multiple search spaces. The code is available at: https://github.com/minh1409/DFT-NPZS-NAS