arXiv subjects

Josif Grabocka

Publications and source records attributed to Josif Grabocka.

At least 37 records · Page 2Linked to original sources

arXiv2023

Scaling Laws for Hyperparameter Optimization

Hyperparameter optimization is an important subfield of machine learning that focuses on tuning the hyperparameters of a chosen algorithm to achieve peak performance. Recently, there has been a stream of methods that tackle the issue of hyperparameter optimization, however, most of the methods do not exploit the dominant power law nature of learning curves for Bayesian optimization. In this work, we propose Deep Power Laws (DPL), an ensemble of neural network models conditioned to yield predictions that follow a power-law scaling pattern. Our method dynamically decides which configurations to pause and train incrementally by making use of gray-box evaluations. We compare our method against 7 state-of-the-art competitors on 3 benchmarks related to tabular, image, and NLP datasets covering 59 diverse tasks. Our method achieves the best results across all benchmarks by obtaining the best any-time results compared to all competitors.

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arXiv2023

Supervising the Multi-Fidelity Race of Hyperparameter Configurations

Multi-fidelity (gray-box) hyperparameter optimization techniques (HPO) have recently emerged as a promising direction for tuning Deep Learning methods. However, existing methods suffer from a sub-optimal allocation of the HPO budget to the hyperparameter configurations. In this work, we introduce DyHPO, a Bayesian Optimization method that learns to decide which hyperparameter configuration to train further in a dynamic race among all feasible configurations. We propose a new deep kernel for Gaussian Processes that embeds the learning curve dynamics, and an acquisition function that incorporates multi-budget information. We demonstrate the significant superiority of DyHPO against state-of-the-art hyperparameter optimization methods through large-scale experiments comprising 50 datasets (Tabular, Image, NLP) and diverse architectures (MLP, CNN/NAS, RNN).

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arXiv2023

Deep Pipeline Embeddings for AutoML

Automated Machine Learning (AutoML) is a promising direction for democratizing AI by automatically deploying Machine Learning systems with minimal human expertise. The core technical challenge behind AutoML is optimizing the pipelines of Machine Learning systems (e.g. the choice of preprocessing, augmentations, models, optimizers, etc.). Existing Pipeline Optimization techniques fail to explore deep interactions between pipeline stages/components. As a remedy, this paper proposes a novel neural architecture that captures the deep interaction between the components of a Machine Learning pipeline. We propose embedding pipelines into a latent representation through a novel per-component encoder mechanism. To search for optimal pipelines, such pipeline embeddings are used within deep-kernel Gaussian Process surrogates inside a Bayesian Optimization setup. Furthermore, we meta-learn the parameters of the pipeline embedding network using existing evaluations of pipelines on diverse collections of related datasets (a.k.a. meta-datasets). Through extensive experiments on three large-scale meta-datasets, we demonstrate that pipeline embeddings yield state-of-the-art results in Pipeline Optimization.

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arXiv2023

Deep Ranking Ensembles for Hyperparameter Optimization

Automatically optimizing the hyperparameters of Machine Learning algorithms is one of the primary open questions in AI. Existing work in Hyperparameter Optimization (HPO) trains surrogate models for approximating the response surface of hyperparameters as a regression task. In contrast, we hypothesize that the optimal strategy for training surrogates is to preserve the ranks of the performances of hyperparameter configurations as a Learning to Rank problem. As a result, we present a novel method that meta-learns neural network surrogates optimized for ranking the configurations' performances while modeling their uncertainty via ensembling. In a large-scale experimental protocol comprising 12 baselines, 16 HPO search spaces and 86 datasets/tasks, we demonstrate that our method achieves new state-of-the-art results in HPO.

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arXiv2023

Phantom Embeddings: Using Embedding Space for Model Regularization in Deep Neural Networks

The strength of machine learning models stems from their ability to learn complex function approximations from data; however, this strength also makes training deep neural networks challenging. Notably, the complex models tend to memorize the training data, which results in poor regularization performance on test data. The regularization techniques such as L1, L2, dropout, etc. are proposed to reduce the overfitting effect; however, they bring in additional hyperparameters tuning complexity. These methods also fall short when the inter-class similarity is high due to the underlying data distribution, leading to a less accurate model. In this paper, we present a novel approach to regularize the models by leveraging the information-rich latent embeddings and their high intra-class correlation. We create phantom embeddings from a subset of homogenous samples and use these phantom embeddings to decrease the inter-class similarity of instances in their latent embedding space. The resulting models generalize better as a combination of their embedding and regularize them without requiring an expensive hyperparameter search. We evaluate our method on two popular and challenging image classification datasets (CIFAR and FashionMNIST) and show how our approach outperforms the standard baselines while displaying better training behavior.

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arXiv2022

Zero-Shot AutoML with Pretrained Models

Given a new dataset D and a low compute budget, how should we choose a pre-trained model to fine-tune to D, and set the fine-tuning hyperparameters without risking overfitting, particularly if D is small? Here, we extend automated machine learning (AutoML) to best make these choices. Our domain-independent meta-learning approach learns a zero-shot surrogate model which, at test time, allows to select the right deep learning (DL) pipeline (including the pre-trained model and fine-tuning hyperparameters) for a new dataset D given only trivial meta-features describing D such as image resolution or the number of classes. To train this zero-shot model, we collect performance data for many DL pipelines on a large collection of datasets and meta-train on this data to minimize a pairwise ranking objective. We evaluate our approach under the strict time limit of the vision track of the ChaLearn AutoDL challenge benchmark, clearly outperforming all challenge contenders.

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arXiv2021

Well-tuned Simple Nets Excel on Tabular Datasets

Tabular datasets are the last "unconquered castle" for deep learning, with traditional ML methods like Gradient-Boosted Decision Trees still performing strongly even against recent specialized neural architectures. In this paper, we hypothesize that the key to boosting the performance of neural networks lies in rethinking the joint and simultaneous application of a large set of modern regularization techniques. As a result, we propose regularizing plain Multilayer Perceptron (MLP) networks by searching for the optimal combination/cocktail of 13 regularization techniques for each dataset using a joint optimization over the decision on which regularizers to apply and their subsidiary hyperparameters. We empirically assess the impact of these regularization cocktails for MLPs in a large-scale empirical study comprising 40 tabular datasets and demonstrate that (i) well-regularized plain MLPs significantly outperform recent state-of-the-art specialized neural network architectures, and (ii) they even outperform strong traditional ML methods, such as XGBoost.

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arXiv2021

Scalable Pareto Front Approximation for Deep Multi-Objective Learning

Multi-objective optimization (MOO) is a prevalent challenge for Deep Learning, however, there exists no scalable MOO solution for truly deep neural networks. Prior work either demand optimizing a new network for every point on the Pareto front, or induce a large overhead to the number of trainable parameters by using hyper-networks conditioned on modifiable preferences. In this paper, we propose to condition the network directly on these preferences by augmenting them to the feature space. Furthermore, we ensure a well-spread Pareto front by penalizing the solutions to maintain a small angle to the preference vector. In a series of experiments, we demonstrate that our Pareto fronts achieve state-of-the-art quality despite being computed significantly faster. Furthermore, we showcase the scalability as our method approximates the full Pareto front on the CelebA dataset with an EfficientNet network at a tiny training time overhead of 7% compared to a simple single-objective optimization. We make our code publicly available at https://github.com/ruchtem/cosmos.

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arXiv2021

Multi-task problems are not multi-objective

Multi-objective optimization (MOO) aims at finding a set of optimal configurations for a given set of objectives. A recent line of work applies MOO methods to the typical Machine Learning (ML) setting, which becomes multi-objective if a model should optimize more than one objective, for instance in fair machine learning. These works also use Multi-Task Learning (MTL) problems to benchmark MOO algorithms treating each task as independent objective. In this work we show that MTL problems do not resemble the characteristics of MOO problems. In particular, MTL losses are not competing in case of a sufficiently expressive single model. As a consequence, a single model can perform just as well as optimizing all objectives with independent models, rendering MOO inapplicable. We provide evidence with extensive experiments on the widely used Multi-Fashion-MNIST datasets. Our results call for new benchmarks to evaluate MOO algorithms for ML. Our code is available at: https://github.com/ruchtem/moo-mtl.

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arXiv2021

HPO-B: A Large-Scale Reproducible Benchmark for Black-Box HPO based on OpenML

Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of recent related works have focused on the direction of transfer learning for quickly fine-tuning hyperparameters on a dataset. Unfortunately, the community does not have a common large-scale benchmark for comparing HPO algorithms. Instead, the de facto practice consists of empirical protocols on arbitrary small-scale meta-datasets that vary inconsistently across publications, making reproducibility a challenge. To resolve this major bottleneck and enable a fair and fast comparison of black-box HPO methods on a level playing field, we propose HPO-B, a new large-scale benchmark in the form of a collection of meta-datasets. Our benchmark is assembled and preprocessed from the OpenML repository and consists of 176 search spaces (algorithms) evaluated sparsely on 196 datasets with a total of 6.4 million hyperparameter evaluations. For ensuring reproducibility on our benchmark, we detail explicit experimental protocols, splits, and evaluation measures for comparing methods for both non-transfer, as well as, transfer learning HPO.

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arXiv2021

Hyperparameter Optimization with Differentiable Metafeatures

Metafeatures, or dataset characteristics, have been shown to improve the performance of hyperparameter optimization (HPO). Conventionally, metafeatures are precomputed and used to measure the similarity between datasets, leading to a better initialization of HPO models. In this paper, we propose a cross dataset surrogate model called Differentiable Metafeature-based Surrogate (DMFBS), that predicts the hyperparameter response, i.e. validation loss, of a model trained on the dataset at hand. In contrast to existing models, DMFBS i) integrates a differentiable metafeature extractor and ii) is optimized using a novel multi-task loss, linking manifold regularization with a dataset similarity measure learned via an auxiliary dataset identification meta-task, effectively enforcing the response approximation for similar datasets to be similar. We compare DMFBS against several recent models for HPO on three large meta-datasets and show that it consistently outperforms all of them with an average 10% improvement. Finally, we provide an extensive ablation study that examines the different components of our approach.

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arXiv2021

Few-Shot Bayesian Optimization with Deep Kernel Surrogates

Hyperparameter optimization (HPO) is a central pillar in the automation of machine learning solutions and is mainly performed via Bayesian optimization, where a parametric surrogate is learned to approximate the black box response function (e.g. validation error). Unfortunately, evaluating the response function is computationally intensive. As a remedy, earlier work emphasizes the need for transfer learning surrogates which learn to optimize hyperparameters for an algorithm from other tasks. In contrast to previous work, we propose to rethink HPO as a few-shot learning problem in which we train a shared deep surrogate model to quickly adapt (with few response evaluations) to the response function of a new task. We propose the use of a deep kernel network for a Gaussian process surrogate that is meta-learned in an end-to-end fashion in order to jointly approximate the response functions of a collection of training data sets. As a result, the novel few-shot optimization of our deep kernel surrogate leads to new state-of-the-art results at HPO compared to several recent methods on diverse metadata sets.

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arXiv2021

Dataset2Vec: Learning Dataset Meta-Features

Meta-learning, or learning to learn, is a machine learning approach that utilizes prior learning experiences to expedite the learning process on unseen tasks. As a data-driven approach, meta-learning requires meta-features that represent the primary learning tasks or datasets, and are estimated traditonally as engineered dataset statistics that require expert domain knowledge tailored for every meta-task. In this paper, first, we propose a meta-feature extractor called Dataset2Vec that combines the versatility of engineered dataset meta-features with the expressivity of meta-features learned by deep neural networks. Primary learning tasks or datasets are represented as hierarchical sets, i.e., as a set of sets, esp. as a set of predictor/target pairs, and then a DeepSet architecture is employed to regress meta-features on them. Second, we propose a novel auxiliary meta-learning task with abundant data called dataset similarity learning that aims to predict if two batches stem from the same dataset or different ones. In an experiment on a large-scale hyperparameter optimization task for 120 UCI datasets with varying schemas as a meta-learning task, we show that the meta-features of Dataset2Vec outperform the expert engineered meta-features and thus demonstrate the usefulness of learned meta-features for datasets with varying schemas for the first time.

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arXiv2020

Chameleon: Learning Model Initializations Across Tasks With Different Schemas

Parametric models, and particularly neural networks, require weight initialization as a starting point for gradient-based optimization. Recent work shows that a specific initial parameter set can be learned from a population of supervised learning tasks. Using this initial parameter set enables a fast convergence for unseen classes even when only a handful of instances is available (model-agnostic meta-learning). Currently, methods for learning model initializations are limited to a population of tasks sharing the same schema, i.e., the same number, order, type, and semantics of predictor and target variables. In this paper, we address the problem of meta-learning parameter initialization across tasks with different schemas, i.e., if the number of predictors varies across tasks, while they still share some variables. We propose Chameleon, a model that learns to align different predictor schemas to a common representation. In experiments on 23 datasets of the OpenML-CC18 benchmark, we show that Chameleon can successfully learn parameter initializations across tasks with different schemas, presenting, to the best of our knowledge, the first cross-dataset few-shot classification approach for unstructured data.

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arXiv2020

HIDRA: Head Initialization across Dynamic targets for Robust Architectures

The performance of gradient-based optimization strategies depends heavily on the initial weights of the parametric model. Recent works show that there exist weight initializations from which optimization procedures can find the task-specific parameters faster than from uniformly random initializations and that such a weight initialization can be learned by optimizing a specific model architecture across similar tasks via MAML (Model-Agnostic Meta-Learning). Current methods are limited to populations of classification tasks that share the same number of classes due to the static model architectures used during meta-learning. In this paper, we present HIDRA, a meta-learning approach that enables training and evaluating across tasks with any number of target variables. We show that Model-Agnostic Meta-Learning trains a distribution for all the neurons in the output layer and a specific weight initialization for the ones in the hidden layers. HIDRA explores this by learning one master neuron, which is used to initialize any number of output neurons for a new task. Extensive experiments on the Miniimagenet and Omniglot data sets demonstrate that HIDRA improves over standard approaches while generalizing to tasks with any number of target variables. Moreover, our approach is shown to robustify low-capacity models in learning across complex tasks with a high number of classes for which regular MAML fails to learn any feasible initialization.

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arXiv2019

Hyp-RL : Hyperparameter Optimization by Reinforcement Learning

Hyperparameter tuning is an omnipresent problem in machine learning as it is an integral aspect of obtaining the state-of-the-art performance for any model. Most often, hyperparameters are optimized just by training a model on a grid of possible hyperparameter values and taking the one that performs best on a validation sample (grid search). More recently, methods have been introduced that build a so-called surrogate model that predicts the validation loss for a specific hyperparameter setting, model and dataset and then sequentially select the next hyperparameter to test, based on a heuristic function of the expected value and the uncertainty of the surrogate model called acquisition function (sequential model-based Bayesian optimization, SMBO). In this paper we model the hyperparameter optimization problem as a sequential decision problem, which hyperparameter to test next, and address it with reinforcement learning. This way our model does not have to rely on a heuristic acquisition function like SMBO, but can learn which hyperparameters to test next based on the subsequent reduction in validation loss they will eventually lead to, either because they yield good models themselves or because they allow the hyperparameter selection policy to build a better surrogate model that is able to choose better hyperparameters later on. Experiments on a large battery of 50 data sets demonstrate that our method outperforms the state-of-the-art approaches for hyperparameter learning.

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arXiv2019

In Hindsight: A Smooth Reward for Steady Exploration

In classical Q-learning, the objective is to maximize the sum of discounted rewards through iteratively using the Bellman equation as an update, in an attempt to estimate the action value function of the optimal policy. Conventionally, the loss function is defined as the temporal difference between the action value and the expected (discounted) reward, however it focuses solely on the future, leading to overestimation errors. We extend the well-established Q-learning techniques by introducing the hindsight factor, an additional loss term that takes into account how the model progresses, by integrating the historic temporal difference as part of the reward. The effect of this modification is examined in a deterministic continuous-state space function estimation problem, where the overestimation phenomenon is significantly reduced and results in improved stability. The underlying effect of the hindsight factor is modeled as an adaptive learning rate, which unlike existing adaptive optimizers, takes into account the previously estimated action value. The proposed method outperforms variations of Q-learning, with an overall higher average reward and lower action values, which supports the deterministic evaluation, and proves that the hindsight factor contributes to lower overestimation errors. The mean average score of 100 episodes obtained after training for 10 million frames shows that the hindsight factor outperforms deep Q-networks, double deep Q-networks and dueling networks for a variety of ATARI games.

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arXiv2019

Learning Surrogate Losses

The minimization of loss functions is the heart and soul of Machine Learning. In this paper, we propose an off-the-shelf optimization approach that can minimize virtually any non-differentiable and non-decomposable loss function (e.g. Miss-classification Rate, AUC, F1, Jaccard Index, Mathew Correlation Coefficient, etc.) seamlessly. Our strategy learns smooth relaxation versions of the true losses by approximating them through a surrogate neural network. The proposed loss networks are set-wise models which are invariant to the order of mini-batch instances. Ultimately, the surrogate losses are learned jointly with the prediction model via bilevel optimization. Empirical results on multiple datasets with diverse real-life loss functions compared with state-of-the-art baselines demonstrate the efficiency of learning surrogate losses.

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