Neural Architecture Performance Prediction

Neural architecture search (NAS) is expensive, but cross-task transfer can reduce costs by reusing knowledge from previous tasks. However, existing methods struggle with sparse search histories and task-specific transfer failures. We propose a method, a risk-robust strategy that combines sparse source logs with zero-cost proxies through champion-based initialization and joint pairwise-ranker pretraining. On TransNAS-Bench-101, the proposal mitigates severe worst-case failures, reducing worst-10% ranks from 290 to 43 for Micro autoencoding and from 465 to 45 for Macro room layout. Across 13 cell-space targets, it outperforms a proxy-only ranker on 10 targets in both mean and worst-case performance, while maintaining competitive average performance.

Predicting relative trained performance from architectural specifications can guide design when training costs limit experimentation. Neural Spectral Capacity (NSC) provides such a heuristic, but scores projections independently and assigns identical scores to compatible reorderings of the same layer configurations. We introduce Residual-Aware Neural Spectral Capacity (ResNSC) for Transformers, using a specification-derived statistical reference for accumulated residual updates to determine the input and residual-state statistics in each projection's capacity calculation, while retaining additive evaluation without data or instantiated weights. When residual widths vary, earlier choices affect later scores, so we augment NSC's allocator (NSC-DP) with residual history beyond its layer-and-budget state. ResNSC-DP jointly allocates residual and feed-forward widths under a resource budget, with certified bounds on the best numerically evaluated ResNSC score within a specified finite candidate set. At the 121M and 374M pretraining scales, selected architectures achieve lower mean perplexity than uniform, variable-width, and tapered allocations on FineWeb-Edu, WikiText-2, and LAMBADA at comparable parameter budgets. In inherited-weight LLaMA-7B pruning using the LoNAS supernet, ResNSC-DP improves eight-task average accuracy over NSC by 3.28--5.46 percentage points across eight matched parameter budgets. Paired reversals preserve the projection shapes and NSC scores yet worsen performance in both settings, exposing performance differences hidden by position-independent scoring. The code for this work is available at https://github.com/Optima-CityU/neural-spectral-capacity.

Architecture attribute predictors reduce the cost of neural architecture search by estimating accuracy or latency from a small set of evaluated candidates. The key difficulty is that neural architectures are operation-labeled DAGs: edge direction defines computational flow, but existing predictors often treat direction as a local structural cue. We propose DTA-GT, a Direction- and Topology-Aware Graph Transformer based on encoder-wide directional consistency, which preserves directed computational semantics across node initialization, global spectral encoding, pairwise interaction, and feature update. DTA-GT realizes this principle with direction- and topology-aware node initialization, Magnetic Laplacian spectral encoding, direction-dual structural attention, and a Direction-Sensitive MoE-FFN. Across accuracy and latency prediction on NAS-Bench-101 and NAS-Bench-201, DTA-GT consistently outperforms representative sequence-, GNN-, Transformer-, and hybrid predictors under limited-budget settings. Ablations and Magnetic spectral controls show that the improvements come from coordinated direction-aware stages and edge-orientation-sensitive spectral information, while mechanistic diagnostics confirm that the modules exhibit the intended directional behavior. These results support encoder-wide directional consistency as an effective design principle for architecture DAG representation.

Evaluating candidate architectures in neural architecture search (NAS) faces an inherent trade-off: on the one hand, reliable performance labels are limited because training and evaluating architectures is costly; on the other hand, zero-cost proxies (ZCPs) are cheap to compute at large scale but can be noisy. Yet, how to effectively combine these two sources of supervision remains unclear. In this paper, we propose PPNAS, a novel prediction-powered inference (PPI) approach for NAS. PPNAS fuses (1) a small set of architectures with observed performance labels and (2) a large set of architectures with ZCP information. To combine these two sources of supervision, PPNAS exploits the ordinal information provided by ZCPs to construct additional pairwise ranking supervision, while PPI debiases systematic discrepancies between ZCP-based and true performance rankings. We evaluate PPNAS in end-to-end predictor-based NAS, where it achieves state-of-the-art under limited evaluation budgets. To the best of our knowledge, PPNAS is the first prediction-powered approach for label-efficient NAS.

Modern Transformer design and compression both reduce to allocating capacity under a budget. The standard scalars for these decisions, #Params and #FLOPs, capture size and compute but not architectural structure: two architectures with identical parameter budgets but different depth-width, head, or FFN allocations receive identical scores yet behave differently. We propose Neural Spectral Capacity (NSC), a closed-form scalar grounded in the singular-value spectrum of each weight matrix. Under standard random initialization, the Marchenko-Pastur law renders NSC computable from the architectural specification alone, with no model instantiation, data, or gradients. Its layer-wise additive structure admits NSC-DP, an exact dynamic-programming solver returning the architecture globally maximizing NSC under resource constraints in seconds on a CPU -- a guarantee that black-box search over existing training-free proxies cannot provide. Empirically, NSC outperforms #Params, #FLOPs, and representative training-free proxies in ranking across seven Transformer and CNN families (on FlexiBERT, $τ= 0.505$ on pairs differing in #Params by less than 10%, where #Params collapses to 0.082); NSC-DP discovers a Transformer-XL architecture on WikiText-103 that beats the human-designed baseline in 2 seconds; and prunes LLaMA-7B to the best 5.7B model across eight commonsense reasoning tasks without any calibration data, about 5900x faster than the strongest training-free proxy baseline.

Neural architecture search (NAS) evaluates candidate networks, but fully training enough architectures to rank an entire space is expensive. Zero-cost proxies score architectures at initialization, yet their ranking quality varies across search spaces. Learned predictors reduce evaluation cost but typically require fully trained labels or partial-training features for individual candidates. We introduce $\textbf{RiPPLE}$, $\underline{\textbf{R}}$anking v$\underline{\textbf{i}}$a $\underline{\textbf{P}}$refix-$\underline{\textbf{P}}$ropagated $\underline{\textbf{L}}$abel $\underline{\textbf{E}}$xtrapolation, which treats partial training as a source of labels for a small coverage set of anchors. RiPPLE trains these anchors to an early prefix, extrapolates their learning curves to surrogate labels, and propagates the labels over label-free architecture features. The early-training signal remains a label on the anchors rather than a per-candidate feature. Feature, readout, and encoding rules are selected without held-out accuracy and reused across search spaces. We evaluate the method on twelve benchmark cells from four search-space families and on the larger DARTS space. The results examine ranking quality, label efficiency, architecture selection, and the roles of readout, coverage, and propagation. RiPPLE provides a whole-space ranking from a fractional anchor-training budget, with comparisons interpreted under their respective evaluation and cost protocols.

As neural networks are increasingly deployed on resource constrained edge devices, accurate prediction of latency and energy is critical for efficient neural architecture search. Existing GNN and transformer based predictors achieve strong results but largely ignore node-level computational cost, limiting their ability to model performance critical operations. To address this, we introduce FeatureFormer, a neural performance predictor that incorporates explicit node-wise encodings of FLOPs, parameter counts, and memory proxies within a gated graph attention architecture. We also present NNEQ, a new large-scale energy consumption dataset that enables unified evaluation of latency and energy prediction. Extensive experiments demonstrate that FeatureFormer achieves state-of-the-art performance across both metrics, including challenging out-of-domain settings. Finally, we show that the proposed encoding is broadly applicable and consistently improves existing predictors with negligible overhead.

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.

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.

Prediction-based approaches are widely used in neural architecture search (NAS), where a predictor estimates the performance of candidate architectures to guide selection. However, existing predictors are typically trained via supervised regression on limited samples, leading to overfitting and poor generalization to unseen architectures. In this work, we propose a fundamentally different formulation that models performance prediction as a conditional function inference problem using a Convolutional Neural Process (ConvNP) with meta-learning capabilities. Instead of fitting a fixed mapping to limited samples, our approach meta-learns to infer performance from partial observations by training with context-target splits across a group of synthesized tasks, explicitly optimizing for generalization under data scarcity and aligning the training procedure with the deployment setting in NAS. We further design simple yet effective meta-features for cell-based architectures and evaluate our method on NAS-Bench-101 and NAS-Bench-201. Extensive experiments show that our approach consistently improves top-K ranking quality and achieves the state-of-the-art architecture selection using limited samples.

Automated Machine Learning (AutoML) frameworks increasingly leverage Large Language Models (LLMs) for tasks such as hyperparameter optimization and neural architecture code generation. However, current LLM-based approaches focus on generative outputs and evaluate them by training the produced artifacts. Whether LLMs can learn to reason about neural network performance across datasets remains underexplored. We present a classification task integrated into the NNGPT framework, in which a fine-tuned LLM predicts which of two image classification datasets a given neural network architecture achieves higher accuracy on. The task is built on the LEMUR dataset, which provides standardized PyTorch implementations with reproducible performance metrics. Three prompt configurations of increasing difficulty are evaluated: a normalized-accuracy baseline (trivially reaching 100%), a metadata-enriched prompt replacing accuracies with dataset properties, and a code-only prompt presenting only architecture source code and dataset names. Using DeepSeek-Coder-7B-Instruct fine-tuned with LoRA, the code-only prompt reaches 80% peak accuracy over 15 epochs, while the metadata prompt peaks at 70%. Perdataset analysis reveals complementary strengths: metadata excels for datasets with distinctive properties (CelebAGender at 90.9%) but degrades for overlapping characteristics, whereas the code-only prompt shows more balanced performance. A comparison with DeepSeek-Coder1.3B confirms that model capacity affects this form of architectural reasoning. The results establish that LLMs can be fine-tuned to predict cross-dataset suitability from neural network code, suggesting that architecture source code contains richer discriminative signal than dataset metadata alone.

Neural Radiance Fields (NeRF) have emerged as a powerful approach for photorealistic 3D reconstruction from multi-view images. However, deploying NeRF for satellite imagery remains challenging. Each scene requires individual training, and optimizing architectures via Neural Architecture Search (NAS) demands hours to days of GPU time. While existing approaches focus on architectural improvements, our SHAP analysis reveals that multi-view consistency, rather than model architecture, determines reconstruction quality. Based on this insight, we develop PreSCAN, a predictive framework that estimates NeRF quality prior to training using lightweight geometric and photometric descriptors. PreSCAN selects suitable architectures in < 30 seconds with < 1 dB prediction error, achieving 1000$\times$ speedup over NAS. We further demonstrate PreSCAN's deployment utility on edge platforms (Jetson Orin), where combining its predictions with offline cost profiling reduces inference power by 26% and latency by 43% with minimal quality loss. Experiments on DFC2019 datasets confirm that PreSCAN generalizes across diverse satellite scenes without retraining.

Neural architecture search (NAS) automates the discovery of neural networks that meet specified criteria, yet its evaluation procedures are often hardcoded, limiting the ability to introduce new metrics. This issue is especially pronounced in hardware-aware NAS, where objectives depend on target devices such as edge hardware. To address this limitation, we propose SEval-NAS, a metric-evaluation mechanism that converts architectures to strings, embeds them as vectors, and predicts performance metrics. Using NATS-Bench and HW-NAS-Bench, we evaluated accuracy, latency, and memory. Kendall's $τ$ correlations showed stronger latency and memory predictions than accuracy, indicating the suitability of SEval-NAS as a hardware cost predictor. We further integrated SEval-NAS into FreeREA to evaluate metrics not originally included. The method successfully ranked FreeREA-generated architectures, maintained search time, and required minimal algorithmic changes. Our implementation is available at: https://github.com/Analytics-Everywhere-Lab/neural-architecture-search