Surrogate assisted diversity estimation in neural ensemble search

Developing effective surrogates (performance predictors) for Neural Architecture Search (NAS) typically requires expensive fine-tuning or the engineering of complex representations. We propose a low-cost embedding strategy that leverages the inductive bias of Language Models (LMs) to eliminate these overheads. By representing architectures as PyTorch class definition text, we demonstrate that off-the-shelf LMs act as competitive feature extractors without NAS-specialized fine-tuning. The final predictor is constructed by passing the extracted Code-Oriented LM Embeddings (COLE) through a lightweight regression head. We also investigate strategies to improve embedding quality and utilization. Our experiments on the NAS-Bench-201 and einspace search spaces reveal that raw code inputs yield higher predictive performance than other text-based encodings (e.g., ONNX-to-text encodings) when using frozen LMs. We also observe COLE drives superior surrogate-assisted search using the BANANAS algorithm in NAS-Bench-201. When optimizing for CIFAR-100 performance, replacing structural path encodings with COLE for architecture representation allows for a 34% decrease in the evaluation budget required to reach within 1% of the fittest architecture in the search space (by test accuracy). As any neural architecture can be represented as code, these findings establish COLE as a versatile and efficient foundation for advancing NAS.

Current neural architecture search (NAS) methods are often limited by their predefined, restrictive search spaces. While recent large language model (LLM)-assisted NAS methods enable open-ended search spaces, they often suffer from inefficient exploration due to biased or low-quality design ideas. To address these issues, we propose to semi-automatically structure model design knowledge to guide the search process. Our approach first defines a high-level structural template of architectural attributes. An LLM then populates this template by analyzing papers, creating a rich and diverse search space that embodies this structured design knowledge. To efficiently explore this vast space, we introduce FairNAD, using a multi-type mutation that enables broad exploration through mutation with fair idea sampling, Pareto-aware mutation, LLM-driven iterative mutation, and a fine-grained feedback loop. We demonstrate the effectiveness of FairNAD in discovering high-performing architectures that yield 0.84, 2.17, and 2.35 points improvement on CIFAR-10, CIFAR-100, and ImageNet16-120, respectively, compared to current state-of-the-art methods.

Training-free neural architecture search promises efficient discovery of high-performance networks without costly training. However, existing zero-cost proxies rely on fragmented heuristics that fail to capture the fundamental question: what makes an architecture trainable? This paper introduces Intrinsic Trainability (InTrain), a unified theoretical proxy that formalizes trainability as an architectural invariant emerging from two synergistic components: geometric capacity and optimization resilience. We operationalize intrinsic trainability through analysis of neural information processing. Geometric capacity is quantified via the participation ratio of activation covariance eigenspectrum, capturing the effective dimensionality of representation manifolds. Optimization resilience is measured through cumulative gradient health, assessing the robustness of backpropagation across network depth. InTrain synthesizes these dimensions through a scale-invariant multiplicative coupling, which we hypothesize is essential for capturing their synergistic, non-additive relationship. Extensive experiments on standard NAS benchmarks and search spaces demonstrate that InTrain achieves ranking correlations on par with state-of-the-art ensemble-based proxies and outperforms other single-metric methods.