Michael Pokorny
Abstract:Neural Architecture Search (NAS) is naturally formulated as a bilevel optimization problem, where the upper-level optimizes the architecture using validation performance and the lower-level trains network parameters using training loss. However, NAS is computationally expensive due to discrete architectural decisions, exponentially growing search spaces, and the high cost of training candidate architectures. This work develops a general bilevel optimization framework for NAS across diverse architectures, including MLPs, CNNs, RNNs, and Transformers, to identify compact architectures with strong predictive performance. We propose three scalable formulations that replace discrete neuron- and activation-level decisions with continuous relaxations, enabling differentiable optimization over otherwise combinatorial architecture spaces. These formulations give rise to three NAS methods: NAS based on Neuron Gating (NAS-NG), NAS based on Mixed Activation (NAS-MA), and NAS based on Neuron Gating and Mixed Activation (NAS-NGMA). Experiments on MLPs and CNNs using MNIST and CIFAR-10 show that the proposed methods consistently identify compact architectures with competitive or improved predictive performance. On MNIST, NAS-NGMA achieves 98.68% test accuracy with 7.69M MLP parameters, while NAS-NG achieves 99.63% accuracy with only 0.26M CNN parameters. On CIFAR-10, the proposed methods consistently outperform vanilla DARTS. Further experiments demonstrate that NAS-NG can optimize substantially over-parameterized and literature-optimal architectures, improving accuracy while reducing parameters. These results establish relaxed bilevel optimization as a scalable alternative to discrete NAS and provide a general framework for efficient neuron- and activation-level architecture optimization.
Abstract:Neural Architecture Search (NAS) aims to automate neural network architecture design, reducing reliance on human expertise. Among the various NAS methods, differentiable NAS has gained prominence due to its efficiency and accuracy compared to conventional NAS approaches. Since differentiable NAS relaxes the architecture search space into a continuous domain, it is possible to apply principles from continuous optimization to NAS. In this paper, we propose Linear Programming-based NAS (LP-NAS), a mathematical programming-based framework for differentiable NAS that is applicable to a wide range of continuous search spaces. LP-NAS formulates a linear program (LP) using the validation-loss gradient and the training-loss Hessian to compute an architecture update direction that improves generalization while preserving the optimality of the model parameters. By following this LP-derived descent direction, LP-NAS efficiently navigates the architecture search space, leading to faster and more effective architecture optimization. We introduce two computationally efficient variants of LP-NAS, namely S-LP-NAS and R-LP-NAS. Applying LP-NAS to the Differentiable Architecture Search (DARTS) search space results in two algorithmic variants, S-LP-DARTS and R-LP-DARTS. Both variants achieve faster convergence and significantly higher validation performance during the early search iterations than the standard DARTS algorithm. Extensive experiments on CIFAR-10 and CIFAR-100 show that LP-DARTS outperforms standard DARTS in both the architecture search and evaluation phases. Additionally, we compare our approach with several DARTS variants (P-DARTS, PC-DARTS, and STO-DARTS) on the CIFAR-10 dataset and demonstrate its effectiveness. Furthermore, we validate the transferability of the discovered architectures through experiments on the ImageNet dataset.
Abstract:Bilevel optimization has become an influential and widely adopted framework for addressing hierarchical optimization problems in machine learning, providing an effective approach to modeling the interaction between two levels of optimization, with applications such as hyperparameter tuning, meta-learning, adversarial training, and data poisoning. Neural Architecture Search (NAS), a subfield of hyperparameter optimization, is a prime example of a bilevel optimization problem, with architecture parameters optimized at the outer-level and network weights optimized at the inner level. This paper presents a structured overview of NAS through the lens of bilevel optimization. We categorize existing NAS approaches into two main classes: sampling-based methods, which search optimal architectures using different architecture samplers, and bilevel theory-based methods, which solve the architecture search problem using bilevel optimization principles. We further highlight our current research direction, wherein the bilevel NAS formulation is addressed through an auxiliary mathematical programming framework. This framework enables the systematic integration of second-order information from the model's training loss function and ensures the optimality of the model parameters while modifying architecture parameters. By simultaneously updating the architecture and model parameters along their respective optimal descent directions derived from the auxiliary mathematical program, these methods achieve more principled and theoretically consistent results. The same auxiliary program can also be used for simultaneous hyperparameter and model fine-tuning. A comparative analysis shows that bilevel theory-based approaches generally outperform sampling-based methods, both in accuracy and efficiency.
Abstract:This paper proposes a Linear Programming (LP)-based local search framework for fine-tuning pretrained transformer models with explicit control against overfitting. The approach formulates transformer fine-tuning as a bilevel optimization-based regularization problem, in which model parameters and regularization hyperparameters are jointly updated. Information collected during initial warm-up iterations, including validation gradients and training Hessian information, is used to construct a local descent direction by solving an LP that minimizes a scaled directional derivative while preserving training optimality. This validation-aware descent direction enables focused local updates of both parameters and regularization hyperparameters, reducing overfitting without requiring repeated full retraining cycles. The resulting method, termed Linear Programming-based Fine-Tuning (LiFT) for transformers, differs from conventional fine-tuning by systematically identifying task-specific updates rather than relying on heuristic or grid-based hyperparameter selection. Experiments on GPT-2 Small fine-tuned on WikiText-2 demonstrate that LiFT enables effective adaptation through selective tuning of transformer blocks and regularization parameters, yielding consistent improvements in test perplexity across multiple layer configurations and regularization settings, with particularly pronounced gains in overfitting-prone scenarios. Beyond empirical performance, LiFT establishes a principled connection between transformer fine-tuning, bilevel optimization, local search, and regularization theory.
Abstract:Benchmarks are important tools for tracking the rapid advancements in large language model (LLM) capabilities. However, benchmarks are not keeping pace in difficulty: LLMs now achieve over 90\% accuracy on popular benchmarks like MMLU, limiting informed measurement of state-of-the-art LLM capabilities. In response, we introduce Humanity's Last Exam (HLE), a multi-modal benchmark at the frontier of human knowledge, designed to be the final closed-ended academic benchmark of its kind with broad subject coverage. HLE consists of 3,000 questions across dozens of subjects, including mathematics, humanities, and the natural sciences. HLE is developed globally by subject-matter experts and consists of multiple-choice and short-answer questions suitable for automated grading. Each question has a known solution that is unambiguous and easily verifiable, but cannot be quickly answered via internet retrieval. State-of-the-art LLMs demonstrate low accuracy and calibration on HLE, highlighting a significant gap between current LLM capabilities and the expert human frontier on closed-ended academic questions. To inform research and policymaking upon a clear understanding of model capabilities, we publicly release HLE at https://lastexam.ai.