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1. Distributionally Robust Post-hoc Classifiers under Prior Shifts

   Wei, Jiaheng; Narasimhan, Harikrishna; Amid, Ehsan; Chu, Wen-Sheng; Liu, Yang; Kumar, Abhishek (January 2023, International Conference on Learning Representations (ICLR))

   The generalization ability of machine learning models degrades significantly when the test distribution shifts away from the training distribution. We investigate the problem of training models that are robust to shifts caused by changes in the distribution of class-priors or group-priors. The presence of skewed training priors can often lead to the models overfitting to spurious features. Unlike existing methods, which optimize for either the worst or the average performance over classes or groups, our work is motivated by the need for finer control over the robustness properties of the model. We present an extremely lightweight post-hoc approach that performs scaling adjustments to predictions from a pre-trained model, with the goal of minimizing a distributionally robust loss around a chosen target distribution. These adjustments are computed by solving a constrained optimization problem on a validation set and applied to the model during test time. Our constrained optimization objective is inspired from a natural notion of robustness to controlled distribution shifts. Our method comes with provable guarantees and empirically makes a strong case for distributional robust post-hoc classifiers. An empirical implementation is available at https://github.com/weijiaheng/Drops. 

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2. Generalization Guarantees for Neural Architecture Search with Train-Validation Split

   Oymak, Samet; Li, Mingchen; Soltanolkotabi, Mahdi (January 2021, ICML 2021)

   Neural Architecture Search (NAS) is a popular method for automatically designing optimized architectures for high-performance deep learning. In this approach, it is common to use bilevel optimization where one optimizes the model weights over the training data (lower-level problem) and various hyperparameters such as the configuration of the architecture over the validation data (upper-level problem). This paper explores the statistical aspects of such problems with train-validation splits. In practice, the lower-level problem is often overparameterized and can easily achieve zero loss. Thus, a-priori it seems impossible to distinguish the right hyperparameters based on training loss alone which motivates a better understanding of the role of train-validation split. To this aim this work establishes the following results: • We show that refined properties of the validation loss such as risk and hyper-gradients are indicative of those of the true test loss. This reveals that the upper-level problem helps select the most generalizable model and prevent overfitting with a near-minimal validation sample size. Importantly, this is established for continuous spaces – which are highly relevant for popular differentiable search schemes. • We establish generalization bounds for NAS problems with an emphasis on an activation search problem. When optimized with gradient-descent, we show that the train-validation procedure returns the best (model, architecture) pair even if all architectures can perfectly fit the training data to achieve zero error. • Finally, we highlight rigorous connections between NAS, multiple kernel learning, and low-rank matrix learning. The latter leads to novel algorithmic insights where the solution of the upper problem can be accurately learned via efficient spectral methods to achieve near-minimal risk. 

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3. Generalization Guarantees for Neural Architecture Search with Train-Validation Split

   Oymak, Samet; Li, Mingchen; Soltanolkotabi, Mahdi (July 2021, International Conference on Machine Learning)

   null (Ed.)

   Neural Architecture Search (NAS) is a popular method for automatically designing optimized architectures for high-performance deep learning. In this approach, it is common to use bilevel optimization where one optimizes the model weights over the training data (lower-level problem) and various hyperparameters such as the configuration of the architecture over the validation data (upper-level problem). This paper explores the statistical aspects of such problems with train-validation splits. In practice, the lower-level problem is often overparameterized and can easily achieve zero loss. Thus, a-priori it seems impossible to distinguish the right hyperparameters based on training loss alone which motivates a better understanding of the role of train-validation split. To this aim this work establishes the following results: • We show that refined properties of the validation loss such as risk and hyper-gradients are indicative of those of the true test loss. This reveals that the upper-level problem helps select the most generalizable model and prevent overfitting with a near-minimal validation sample size. Importantly, this is established for continuous spaces – which are highly relevant for popular differentiable search schemes. • We establish generalization bounds for NAS problems with an emphasis on an activation search problem. When optimized with gradient-descent, we show that the train-validation procedure returns the best (model, architecture) pair even if all architectures can perfectly fit the training data to achieve zero error. • Finally, we highlight rigorous connections between NAS, multiple kernel learning, and low-rank matrix learning. The latter leads to novel algorithmic insights where the solution of the upper problem can be accurately learned via efficient spectral methods to achieve near-minimal risk. 

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4. Finding the Needle in the Haystack with Convolutions: on the benefits of architectural bias

   d'Ascoli, Stephane; Sagun, Levent; Bruna, Joan; Biroli, Giulio (January 2019, Advances in neural information processing systems)

   Despite the phenomenal success of deep neural networks in a broad range of learning tasks, there is a lack of theory to understand the way they work. In particular, Convolutional Neural Networks (CNNs) are known to perform much better than Fully-Connected Networks (FCNs) on spatially structured data: the architectural structure of CNNs benefits from prior knowledge on the features of the data, for instance their translation invariance. The aim of this work is to understand this fact through the lens of dynamics in the loss landscape. We introduce a method that maps a CNN to its equivalent FCN (denoted as eFCN). Such an embedding enables the comparison of CNN and FCN training dynamics directly in the FCN space. We use this method to test a new training protocol, which consists in training a CNN, embedding it to FCN space at a certain relax time'', then resuming the training in FCN space. We observe that for all relax times, the deviation from the CNN subspace is small, and the final performance reached by the eFCN is higher than that reachable by a standard FCN of same architecture. More surprisingly, for some intermediate relax times, the eFCN outperforms the CNN it stemmed, by combining the prior information of the CNN and the expressivity of the FCN in a complementary way. The practical interest of our protocol is limited by the very large size of the highly sparse eFCN. However, it offers interesting insights into the persistence of architectural bias under stochastic gradient dynamics. It shows the existence of some rare basins in the FCN loss landscape associated with very good generalization. These can only be accessed thanks to the CNN prior, which helps navigate the landscape during the early stages of optimization. 

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5. Adaptive Denoising via GainTuning

   Mohan, Sreyas; Vincent, Joshua L.; Manzorro, Ramon; Crozier, Peter A.; Simoncelli, Eero P.; Fernandez-Granda, Carlos (July 2021, ArXivorg)

   null (Ed.)

   Deep convolutional neural networks (CNNs) for image denoising are usually trained on large datasets. These models achieve the current state of the art, but they have difficulties generalizing when applied to data that deviate from the training distribution. Recent work has shown that it is possible to train denoisers on a single noisy image. These models adapt to the features of the test image, but their performance is limited by the small amount of information used to train them. Here we propose "GainTuning", in which CNN models pre-trained on large datasets are adaptively and selectively adjusted for individual test images. To avoid overfitting, GainTuning optimizes a single multiplicative scaling parameter (the "Gain") of each channel in the convolutional layers of the CNN. We show that GainTuning improves state-of-the-art CNNs on standard image-denoising benchmarks, boosting their denoising performance on nearly every image in a held-out test set. These adaptive improvements are even more substantial for test images differing systematically from the training data, either in noise level or image type. We illustrate the potential of adaptive denoising in a scientific application, in which a CNN is trained on synthetic data, and tested on real transmission-electron-microscope images. In contrast to the existing methodology, GainTuning is able to faithfully reconstruct the structure of catalytic nanoparticles from these data at extremely low signal-to-noise ratios. 

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