Bayesian Optimization in Sequence-to-Architecture Latent Space for Zero-Shot 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.

Neural architecture search (NAS) methods have grown increasingly efficient, yet they remain bounded by manually engineered search spaces that require substantial domain expertise and must be rebuilt for every new task. Large language models (LLMs) can generate architectures in an open-ended space, but how to optimally divide the labor between LLM-driven design and NAS-driven search remains unexplored. We propose a mechanism that bridges these two paradigms: an LLM produces a high-quality seed architecture, then decomposes it into a "slotted architecture", a scaffold with named, interchangeable module slots that automatically defines a bounded, task-specific search space for conventional NAS to explore, without manual engineering. We instantiate this mechanism in AgentNAS, a modular three-phase pipeline in which each component's contribution can be measured independently. On 17 tasks spanning classification, dense regression, segmentation, and multi-label tagging across diverse modalities (NAS-Bench-360 and Unseen NAS), AgentNAS establishes a new state of the art on 11 tasks, outperforming published baselines including task-specific expert designs. Ablation studies show that the two search mechanisms are broadly complementary: the LLM-generated seed already surpasses published baselines on the majority of tasks, and NAS delivers additional gains in most cases through combinatorial recombination across slots, a mode of search that independent LLM samples cannot replicate. These patterns hold across three LLMs of different capability levels, confirming that the division of labor is robust. Our code is available at https://github.com/alroimfebruary/AgentNAS.

Low-cost NAS must both explore high-performing architectures and identify them reliably, yet reducing evaluation cost often weakens the fidelity of candidate comparisons. Training-free methods reduce evaluation cost by replacing learned task feedback with proxy signals measured at initialization. We introduce LESS (Lightweight Evolutionary Supernet Search), a data-driven method that combines a brief fair hard-path warm-up with discrete search under a single CMA-ES distribution. Each proposal is evaluated as its decoded hard genotype after six candidate-conditioned supernet updates. On NAS-Bench-201, LESS achieves $93.189\pm0.467\%$ CIFAR-10 test accuracy in 409.1 seconds, coming within 0.04 percentage points of FairNAS using approximately $1/24$ of its source-reported search time. Matched controls show that calibration improves selected validation accuracy by $0.577$ percentage points while changing best-visited accuracy by only $0.054$ points, indicating that its primary effect is to reduce selection regret. The frozen configuration transfers without tuning to CIFAR-100 and ImageNet16-120 with $69.615\pm1.139\%$ and $43.720\pm1.697\%$ accuracy. Applied without tuning to the larger DARTS space, LESS achieves $96.95\pm0.14\%$ on CIFAR-10 and $82.43\pm0.80\%$ on CIFAR-100, with each search completing in approximately 43.5 minutes on a single GPU. Together, these results show that short, balanced, data-dependent updates enable competitive neural architecture search across datasets and search spaces within minutes.