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Frank Hutter

Frank Hutter contributes to research discovery and scholarly infrastructure.

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Published work

32 published item(s)

preprint2026arXiv

EquiTabPFN: A Target-Permutation Equivariant Prior Fitted Networks

Recent foundational models for tabular data, such as TabPFN, excel at adapting to new tasks via in-context learning, but remain constrained to a fixed, pre-defined number of target dimensions-often necessitating costly ensembling strategies. We trace this constraint to a deeper architectural shortcoming: these models lack target equivariance, so that permuting target dimension orderings alters their predictions. This deficiency gives rise to an irreducible "equivariance gap", an error term that introduces instability in predictions. We eliminate this gap by designing a fully target-equivariant architecture-ensuring permutation invariance via equivariant encoders, decoders, and a bi-attention mechanism. Empirical evaluation on standard classification benchmarks shows that, on datasets with more classes than those seen during pre-training, our model matches or surpasses existing methods while incurring lower computational overhead.

preprint2026arXiv

MulTaBench: Benchmarking Multimodal Tabular Learning with Text and Image

Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generalizable representations of numerical and categorical structured data. However, they lack native support for unstructured modalities such as text and image, and rely on frozen, pretrained embeddings to process them. On established Multimodal Tabular Learning benchmarks, we show that tuning the embeddings to the task improves performance. Existing benchmarks, however, often focus on the mere co-occurrence of modalities; this leads to high variance across datasets and masks the benefits of task-specific tuning. To address this gap, we introduce MulTaBench, a benchmark of 40 datasets, split equally between image-tabular and text-tabular tasks. We focus on predictive tasks where the modalities provide complementary predictive signal, and where generic embeddings lose critical information, necessitating Target-Aware Representations that are aligned with the task. Our experimental results demonstrate that the gains from target-aware representation tuning generalize across both text and image modalities, several tabular learners, encoder scales, and embedding dimensions. MulTaBench constitutes the largest image-tabular benchmarking effort to date, spanning high-impact domains such as healthcare and e-commerce. It is designed to enable the research of novel architectures which incorporate joint modeling and target-aware representations, paving the way for the development of novel Multimodal Tabular Foundation Models.

preprint2026arXiv

Practitioner Motives to Use Different Hyperparameter Optimization Methods

Programmatic hyperparameter optimization (HPO) methods, such as Bayesian optimization and evolutionary algorithms, are highly sample-efficient in identifying optimal hyperparameter configurations for machine learning (ML) models. However, practitioners frequently use less efficient methods, such as grid search, which can lead to under-optimized models. We suspect this behavior is driven by a range of practitioner-specific motives. Practitioner motives, however, still need to be clarified to enhance user-centered development of HPO tools. To uncover practitioner motives to use different HPO methods, we conducted 20 semi-structured interviews and an online survey with 49 ML experts. By presenting main goals (e.g., increase ML model understanding) and contextual factors affecting practitioners' selection of HPO methods (e.g., available computer resources), this study offers a conceptual foundation to better understand why practitioners use different HPO methods, supporting development of more user-centered and context-adaptive HPO tools in automated ML.

preprint2026arXiv

STRABLE: Benchmarking Tabular Machine Learning with Strings

Benchmarking tabular learning has revealed the benefit of dedicated architectures, pushing the state of the art. But real-world tables often contain string entries, beyond numbers, and these settings have been understudied due to a lack of a solid benchmarking suite. They lead to new research questions: Are dedicated learners needed, with end-to-end modeling of strings and numbers? Or does it suffice to encode strings as numbers, as with a categorical encoding? And if so, do the resulting tables resemble numerical tabular data, calling for the same learners? To enable these studies, we contribute STRABLE, a benchmarking corpus of 108 tables, all real-world learning problems with strings and numbers across diverse application fields. We run the first large-scale empirical study of tabular learning with strings, evaluating 445 pipelines. These pipelines span end-to-end architectures and modular pipelines, where strings are first encoded, then post-processed, and finally passed to a tabular learner. We find that, because most tables in the wild are categorical-dominant, advanced tabular learners paired with simple string embeddings achieve good predictions at low computational cost. On free-text-dominant tables, large LLM encoders become competitive. Their performance also appears sensitive to post-processing, with differences across LLM families. Finally, we show that STRABLE is a good set of tables to study "string tabular" learning as it leads to generalizable pipeline rankings that are close to the oracle rankings. We thus establish STRABLE as a foundation for research on tabular learning with strings, an important yet understudied area.

preprint2026arXiv

TabPFN-3: Technical Report

Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.

preprint2026arXiv

When is Warmstarting Effective for Scaling Language Models?

Model growth from a given checkpoint aims to accelerate training of a larger model, offering potential resource savings. Despite recent interest, warmstarting has seen limited practical adoption in large-scale training. We attribute this to two underexplored factors: (1) an overemphasis on preserving the smaller model's performance at initialization, which constrains operator design for new architectures, and (2) insufficient analysis of how growth interacts with hyperparameters and scaling behavior, compounded by inconsistent growth factors across the literature. We show that preserving the base model's initial post-growth performance is not necessary for strong final performance, and that simple, architecture-agnostic growth strategies can outperform more complex warmstarting operators. Crucially, we empirically identify an upper bound on the growth factor $g$ beyond which training from scratch is more efficient. We observe this across multiple ablation setups. Notably, this limit is also present, but unreported, in prior published results. Across our experiments on dense MLPs and dense language models, we find that a $2\times$ growth factor is the most reliable in yielding convergence speedups, with gains most pronounced under 20 tokens/parameter budgets and diminishing as budget increases. We fit scaling laws over these observations to provide predictive guidance for practitioners deciding when and how much to grow. Together, our analysis provides practical guidelines and empirical limits for model growth.

preprint2026arXiv

Where to Begin: Efficient Pretraining via Subnetwork Selection and Distillation

Small Language models (SLMs) offer an efficient and accessible alternative to Large Language Models (LLMs), delivering strong performance while using far fewer resources. We introduce a simple and effective framework for pretraining SLMs that brings together three complementary ideas. First, we identify structurally sparse sub-network initializations that consistently outperform randomly initialized models of similar size under the same compute budget. Second, we use evolutionary search to automatically discover high-quality sub-network initializations, providing better starting points for pretraining. Third, we apply knowledge distillation from larger teacher models to speed up training and improve generalization. Together, these components make SLM pretraining substantially more efficient: our best model, discovered using evolutionary search and initialized with LLM weights, matches the validation perplexity of a comparable Pythia SLM while requiring 5.16x and 1.26x fewer floating point operations for token budgets of 10B and 100B, respectively. We release all code publicly, offering a practical and reproducible path toward cost-efficient small language model development at scale.

preprint2023arXiv

Joint Entropy Search for Maximally-Informed Bayesian Optimization

Information-theoretic Bayesian optimization techniques have become popular for optimizing expensive-to-evaluate black-box functions due to their non-myopic qualities. Entropy Search and Predictive Entropy Search both consider the entropy over the optimum in the input space, while the recent Max-value Entropy Search considers the entropy over the optimal value in the output space. We propose Joint Entropy Search (JES), a novel information-theoretic acquisition function that considers an entirely new quantity, namely the entropy over the joint optimal probability density over both input and output space. To incorporate this information, we consider the reduction in entropy from conditioning on fantasized optimal input/output pairs. The resulting approach primarily relies on standard GP machinery and removes complex approximations typically associated with information-theoretic methods. With minimal computational overhead, JES shows superior decision-making, and yields state-of-the-art performance for information-theoretic approaches across a wide suite of tasks. As a light-weight approach with superior results, JES provides a new go-to acquisition function for Bayesian optimization.

preprint2022arXiv

$π$BO: Augmenting Acquisition Functions with User Beliefs for Bayesian Optimization

Bayesian optimization (BO) has become an established framework and popular tool for hyperparameter optimization (HPO) of machine learning (ML) algorithms. While known for its sample-efficiency, vanilla BO can not utilize readily available prior beliefs the practitioner has on the potential location of the optimum. Thus, BO disregards a valuable source of information, reducing its appeal to ML practitioners. To address this issue, we propose $π$BO, an acquisition function generalization which incorporates prior beliefs about the location of the optimum in the form of a probability distribution, provided by the user. In contrast to previous approaches, $π$BO is conceptually simple and can easily be integrated with existing libraries and many acquisition functions. We provide regret bounds when $π$BO is applied to the common Expected Improvement acquisition function and prove convergence at regular rates independently of the prior. Further, our experiments show that $π$BO outperforms competing approaches across a wide suite of benchmarks and prior characteristics. We also demonstrate that $π$BO improves on the state-of-the-art performance for a popular deep learning task, with a 12.5 $\times$ time-to-accuracy speedup over prominent BO approaches.

preprint2022arXiv

Automated Dynamic Algorithm Configuration

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

preprint2022arXiv

Automated Reinforcement Learning (AutoRL): A Survey and Open Problems

The combination of Reinforcement Learning (RL) with deep learning has led to a series of impressive feats, with many believing (deep) RL provides a path towards generally capable agents. However, the success of RL agents is often highly sensitive to design choices in the training process, which may require tedious and error-prone manual tuning. This makes it challenging to use RL for new problems, while also limits its full potential. In many other areas of machine learning, AutoML has shown it is possible to automate such design choices and has also yielded promising initial results when applied to RL. However, Automated Reinforcement Learning (AutoRL) involves not only standard applications of AutoML but also includes additional challenges unique to RL, that naturally produce a different set of methods. As such, AutoRL has been emerging as an important area of research in RL, providing promise in a variety of applications from RNA design to playing games such as Go. Given the diversity of methods and environments considered in RL, much of the research has been conducted in distinct subfields, ranging from meta-learning to evolution. In this survey we seek to unify the field of AutoRL, we provide a common taxonomy, discuss each area in detail and pose open problems which would be of interest to researchers going forward.

preprint2022arXiv

DeepCAVE: An Interactive Analysis Tool for Automated Machine Learning

Automated Machine Learning (AutoML) is used more than ever before to support users in determining efficient hyperparameters, neural architectures, or even full machine learning pipelines. However, users tend to mistrust the optimization process and its results due to a lack of transparency, making manual tuning still widespread. We introduce DeepCAVE, an interactive framework to analyze and monitor state-of-the-art optimization procedures for AutoML easily and ad hoc. By aiming for full and accessible transparency, DeepCAVE builds a bridge between users and AutoML and contributes to establishing trust. Our framework's modular and easy-to-extend nature provides users with automatically generated text, tables, and graphic visualizations. We show the value of DeepCAVE in an exemplary use-case of outlier detection, in which our framework makes it easy to identify problems, compare multiple runs and interpret optimization processes. The package is freely available on GitHub https://github.com/automl/DeepCAVE.

preprint2022arXiv

Efficient Automated Deep Learning for Time Series Forecasting

Recent years have witnessed tremendously improved efficiency of Automated Machine Learning (AutoML), especially Automated Deep Learning (AutoDL) systems, but recent work focuses on tabular, image, or NLP tasks. So far, little attention has been paid to general AutoDL frameworks for time series forecasting, despite the enormous success in applying different novel architectures to such tasks. In this paper, we propose an efficient approach for the joint optimization of neural architecture and hyperparameters of the entire data processing pipeline for time series forecasting. In contrast to common NAS search spaces, we designed a novel neural architecture search space covering various state-of-the-art architectures, allowing for an efficient macro-search over different DL approaches. To efficiently search in such a large configuration space, we use Bayesian optimization with multi-fidelity optimization. We empirically study several different budget types enabling efficient multi-fidelity optimization on different forecasting datasets. Furthermore, we compared our resulting system, dubbed \system, against several established baselines and show that it significantly outperforms all of them across several datasets.

preprint2022arXiv

Learning Synthetic Environments and Reward Networks for Reinforcement Learning

We introduce Synthetic Environments (SEs) and Reward Networks (RNs), represented by neural networks, as proxy environment models for training Reinforcement Learning (RL) agents. We show that an agent, after being trained exclusively on the SE, is able to solve the corresponding real environment. While an SE acts as a full proxy to a real environment by learning about its state dynamics and rewards, an RN is a partial proxy that learns to augment or replace rewards. We use bi-level optimization to evolve SEs and RNs: the inner loop trains the RL agent, and the outer loop trains the parameters of the SE / RN via an evolution strategy. We evaluate our proposed new concept on a broad range of RL algorithms and classic control environments. In a one-to-one comparison, learning an SE proxy requires more interactions with the real environment than training agents only on the real environment. However, once such an SE has been learned, we do not need any interactions with the real environment to train new agents. Moreover, the learned SE proxies allow us to train agents with fewer interactions while maintaining the original task performance. Our empirical results suggest that SEs achieve this result by learning informed representations that bias the agents towards relevant states. Moreover, we find that these proxies are robust against hyperparameter variation and can also transfer to unseen agents.

preprint2022arXiv

Lessons learned from the NeurIPS 2021 MetaDL challenge: Backbone fine-tuning without episodic meta-learning dominates for few-shot learning image classification

Although deep neural networks are capable of achieving performance superior to humans on various tasks, they are notorious for requiring large amounts of data and computing resources, restricting their success to domains where such resources are available. Metalearning methods can address this problem by transferring knowledge from related tasks, thus reducing the amount of data and computing resources needed to learn new tasks. We organize the MetaDL competition series, which provide opportunities for research groups all over the world to create and experimentally assess new meta-(deep)learning solutions for real problems. In this paper, authored collaboratively between the competition organizers and the top-ranked participants, we describe the design of the competition, the datasets, the best experimental results, as well as the top-ranked methods in the NeurIPS 2021 challenge, which attracted 15 active teams who made it to the final phase (by outperforming the baseline), making over 100 code submissions during the feedback phase. The solutions of the top participants have been open-sourced. The lessons learned include that learning good representations is essential for effective transfer learning.

preprint2022arXiv

NAS-Bench-Suite: NAS Evaluation is (Now) Surprisingly Easy

The release of tabular benchmarks, such as NAS-Bench-101 and NAS-Bench-201, has significantly lowered the computational overhead for conducting scientific research in neural architecture search (NAS). Although they have been widely adopted and used to tune real-world NAS algorithms, these benchmarks are limited to small search spaces and focus solely on image classification. Recently, several new NAS benchmarks have been introduced that cover significantly larger search spaces over a wide range of tasks, including object detection, speech recognition, and natural language processing. However, substantial differences among these NAS benchmarks have so far prevented their widespread adoption, limiting researchers to using just a few benchmarks. In this work, we present an in-depth analysis of popular NAS algorithms and performance prediction methods across 25 different combinations of search spaces and datasets, finding that many conclusions drawn from a few NAS benchmarks do not generalize to other benchmarks. To help remedy this problem, we introduce NAS-Bench-Suite, a comprehensive and extensible collection of NAS benchmarks, accessible through a unified interface, created with the aim to facilitate reproducible, generalizable, and rapid NAS research. Our code is available at https://github.com/automl/naslib.

preprint2022arXiv

Neural Architecture Search for Dense Prediction Tasks in Computer Vision

The success of deep learning in recent years has lead to a rising demand for neural network architecture engineering. As a consequence, neural architecture search (NAS), which aims at automatically designing neural network architectures in a data-driven manner rather than manually, has evolved as a popular field of research. With the advent of weight sharing strategies across architectures, NAS has become applicable to a much wider range of problems. In particular, there are now many publications for dense prediction tasks in computer vision that require pixel-level predictions, such as semantic segmentation or object detection. These tasks come with novel challenges, such as higher memory footprints due to high-resolution data, learning multi-scale representations, longer training times, and more complex and larger neural architectures. In this manuscript, we provide an overview of NAS for dense prediction tasks by elaborating on these novel challenges and surveying ways to address them to ease future research and application of existing methods to novel problems.

preprint2022arXiv

On the Importance of Hyperparameters and Data Augmentation for Self-Supervised Learning

Self-Supervised Learning (SSL) has become a very active area of Deep Learning research where it is heavily used as a pre-training method for classification and other tasks. However, the rapid pace of advancements in this area comes at a price: training pipelines vary significantly across papers, which presents a potentially crucial confounding factor. Here, we show that, indeed, the choice of hyperparameters and data augmentation strategies can have a dramatic impact on performance. To shed light on these neglected factors and help maximize the power of SSL, we hyperparameterize these components and optimize them with Bayesian optimization, showing improvements across multiple datasets for the SimSiam SSL approach. Realizing the importance of data augmentations for SSL, we also introduce a new automated data augmentation algorithm, GroupAugment, which considers groups of augmentations and optimizes the sampling across groups. In contrast to algorithms designed for supervised learning, GroupAugment achieved consistently high linear evaluation accuracy across all datasets we considered. Overall, our results indicate the importance and likely underestimated role of data augmentation for SSL.

preprint2022arXiv

SMAC3: A Versatile Bayesian Optimization Package for Hyperparameter Optimization

Algorithm parameters, in particular hyperparameters of machine learning algorithms, can substantially impact their performance. To support users in determining well-performing hyperparameter configurations for their algorithms, datasets and applications at hand, SMAC3 offers a robust and flexible framework for Bayesian Optimization, which can improve performance within a few evaluations. It offers several facades and pre-sets for typical use cases, such as optimizing hyperparameters, solving low dimensional continuous (artificial) global optimization problems and configuring algorithms to perform well across multiple problem instances. The SMAC3 package is available under a permissive BSD-license at https://github.com/automl/SMAC3.

preprint2022arXiv

Surrogate NAS Benchmarks: Going Beyond the Limited Search Spaces of Tabular NAS Benchmarks

The most significant barrier to the advancement of Neural Architecture Search (NAS) is its demand for large computational resources, which hinders scientifically sound empirical evaluations of NAS methods. Tabular NAS benchmarks have alleviated this problem substantially, making it possible to properly evaluate NAS methods in seconds on commodity machines. However, an unintended consequence of tabular NAS benchmarks has been a focus on extremely small architectural search spaces since their construction relies on exhaustive evaluations of the space. This leads to unrealistic results that do not transfer to larger spaces. To overcome this fundamental limitation, we propose a methodology to create cheap NAS surrogate benchmarks for arbitrary search spaces. We exemplify this approach by creating surrogate NAS benchmarks on the existing tabular NAS-Bench-101 and on two widely used NAS search spaces with up to $10^{21}$ architectures ($10^{13}$ times larger than any previous tabular NAS benchmark). We show that surrogate NAS benchmarks can model the true performance of architectures better than tabular benchmarks (at a small fraction of the cost), that they lead to faithful estimates of how well different NAS methods work on the original non-surrogate benchmark, and that they can generate new scientific insight. We open-source all our code and believe that surrogate NAS benchmarks are an indispensable tool to extend scientifically sound work on NAS to large and exciting search spaces.

preprint2022arXiv

Theory-inspired Parameter Control Benchmarks for Dynamic Algorithm Configuration

It has long been observed that the performance of evolutionary algorithms and other randomized search heuristics can benefit from a non-static choice of the parameters that steer their optimization behavior. Mechanisms that identify suitable configurations on the fly ("parameter control") or via a dedicated training process ("dynamic algorithm configuration") are therefore an important component of modern evolutionary computation frameworks. Several approaches to address the dynamic parameter setting problem exist, but we barely understand which ones to prefer for which applications. As in classical benchmarking, problem collections with a known ground truth can offer very meaningful insights in this context. Unfortunately, settings with well-understood control policies are very rare. One of the few exceptions for which we know which parameter settings minimize the expected runtime is the LeadingOnes problem. We extend this benchmark by analyzing optimal control policies that can select the parameters only from a given portfolio of possible values. This also allows us to compute optimal parameter portfolios of a given size. We demonstrate the usefulness of our benchmarks by analyzing the behavior of the DDQN reinforcement learning approach for dynamic algorithm configuration.

preprint2022arXiv

Winning solutions and post-challenge analyses of the ChaLearn AutoDL challenge 2019

This paper reports the results and post-challenge analyses of ChaLearn's AutoDL challenge series, which helped sorting out a profusion of AutoML solutions for Deep Learning (DL) that had been introduced in a variety of settings, but lacked fair comparisons. All input data modalities (time series, images, videos, text, tabular) were formatted as tensors and all tasks were multi-label classification problems. Code submissions were executed on hidden tasks, with limited time and computational resources, pushing solutions that get results quickly. In this setting, DL methods dominated, though popular Neural Architecture Search (NAS) was impractical. Solutions relied on fine-tuned pre-trained networks, with architectures matching data modality. Post-challenge tests did not reveal improvements beyond the imposed time limit. While no component is particularly original or novel, a high level modular organization emerged featuring a "meta-learner", "data ingestor", "model selector", "model/learner", and "evaluator". This modularity enabled ablation studies, which revealed the importance of (off-platform) meta-learning, ensembling, and efficient data management. Experiments on heterogeneous module combinations further confirm the (local) optimality of the winning solutions. Our challenge legacy includes an ever-lasting benchmark (http://autodl.chalearn.org), the open-sourced code of the winners, and a free "AutoDL self-service".

preprint2022arXiv

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.

preprint2021arXiv

In-Loop Meta-Learning with Gradient-Alignment Reward

At the heart of the standard deep learning training loop is a greedy gradient step minimizing a given loss. We propose to add a second step to maximize training generalization. To do this, we optimize the loss of the next training step. While computing the gradient for this generally is very expensive and many interesting applications consider non-differentiable parameters (e.g. due to hard samples), we present a cheap-to-compute and memory-saving reward, the gradient-alignment reward (GAR), that can guide the optimization. We use this reward to optimize multiple distributions during model training. First, we present the application of GAR to choosing the data distribution as a mixture of multiple dataset splits in a small scale setting. Second, we show that it can successfully guide learning augmentation strategies competitive with state-of-the-art augmentation strategies on CIFAR-10 and CIFAR-100.

preprint2021arXiv

Learning Synthetic Environments for Reinforcement Learning with Evolution Strategies

This work explores learning agent-agnostic synthetic environments (SEs) for Reinforcement Learning. SEs act as a proxy for target environments and allow agents to be trained more efficiently than when directly trained on the target environment. We formulate this as a bi-level optimization problem and represent an SE as a neural network. By using Natural Evolution Strategies and a population of SE parameter vectors, we train agents in the inner loop on evolving SEs while in the outer loop we use the performance on the target task as a score for meta-updating the SE population. We show empirically that our method is capable of learning SEs for two discrete-action-space tasks (CartPole-v0 and Acrobot-v1) that allow us to train agents more robustly and with up to 60% fewer steps. Not only do we show in experiments with 4000 evaluations that the SEs are robust against hyperparameter changes such as the learning rate, batch sizes and network sizes, we also show that SEs trained with DDQN agents transfer in limited ways to a discrete-action-space version of TD3 and very well to Dueling DDQN.

preprint2021arXiv

On the Importance of Hyperparameter Optimization for Model-based Reinforcement Learning

Model-based Reinforcement Learning (MBRL) is a promising framework for learning control in a data-efficient manner. MBRL algorithms can be fairly complex due to the separate dynamics modeling and the subsequent planning algorithm, and as a result, they often possess tens of hyperparameters and architectural choices. For this reason, MBRL typically requires significant human expertise before it can be applied to new problems and domains. To alleviate this problem, we propose to use automatic hyperparameter optimization (HPO). We demonstrate that this problem can be tackled effectively with automated HPO, which we demonstrate to yield significantly improved performance compared to human experts. In addition, we show that tuning of several MBRL hyperparameters dynamically, i.e. during the training itself, further improves the performance compared to using static hyperparameters which are kept fixed for the whole training. Finally, our experiments provide valuable insights into the effects of several hyperparameters, such as plan horizon or learning rate and their influence on the stability of training and resulting rewards.

preprint2020arXiv

Machine-Learning-Based Diagnostics of EEG Pathology

Machine learning (ML) methods have the potential to automate clinical EEG analysis. They can be categorized into feature-based (with handcrafted features), and end-to-end approaches (with learned features). Previous studies on EEG pathology decoding have typically analyzed a limited number of features, decoders, or both. For a I) more elaborate feature-based EEG analysis, and II) in-depth comparisons of both approaches, here we first develop a comprehensive feature-based framework, and then compare this framework to state-of-the-art end-to-end methods. To this aim, we apply the proposed feature-based framework and deep neural networks including an EEG-optimized temporal convolutional network (TCN) to the task of pathological versus non-pathological EEG classification. For a robust comparison, we chose the Temple University Hospital (TUH) Abnormal EEG Corpus (v2.0.0), which contains approximately 3000 EEG recordings. The results demonstrate that the proposed feature-based decoding framework can achieve accuracies on the same level as state-of-the-art deep neural networks. We find accuracies across both approaches in an astonishingly narrow range from 81--86\%. Moreover, visualizations and analyses indicated that both approaches used similar aspects of the data, e.g., delta and theta band power at temporal electrode locations. We argue that the accuracies of current binary EEG pathology decoders could saturate near 90\% due to the imperfect inter-rater agreement of the clinical labels, and that such decoders are already clinically useful, such as in areas where clinical EEG experts are rare. We make the proposed feature-based framework available open source and thus offer a new tool for EEG machine learning research.

preprint2020arXiv

Meta-Learning Acquisition Functions for Transfer Learning in Bayesian Optimization

Transferring knowledge across tasks to improve data-efficiency is one of the open key challenges in the field of global black-box optimization. Readily available algorithms are typically designed to be universal optimizers and, therefore, often suboptimal for specific tasks. We propose a novel transfer learning method to obtain customized optimizers within the well-established framework of Bayesian optimization, allowing our algorithm to utilize the proven generalization capabilities of Gaussian processes. Using reinforcement learning to meta-train an acquisition function (AF) on a set of related tasks, the proposed method learns to extract implicit structural information and to exploit it for improved data-efficiency. We present experiments on a simulation-to-real transfer task as well as on several synthetic functions and on two hyperparameter search problems. The results show that our algorithm (1) automatically identifies structural properties of objective functions from available source tasks or simulations, (2) performs favourably in settings with both scarse and abundant source data, and (3) falls back to the performance level of general AFs if no particular structure is present.

preprint2020arXiv

NAS-Bench-1Shot1: Benchmarking and Dissecting One-shot Neural Architecture Search

One-shot neural architecture search (NAS) has played a crucial role in making NAS methods computationally feasible in practice. Nevertheless, there is still a lack of understanding on how these weight-sharing algorithms exactly work due to the many factors controlling the dynamics of the process. In order to allow a scientific study of these components, we introduce a general framework for one-shot NAS that can be instantiated to many recently-introduced variants and introduce a general benchmarking framework that draws on the recent large-scale tabular benchmark NAS-Bench-101 for cheap anytime evaluations of one-shot NAS methods. To showcase the framework, we compare several state-of-the-art one-shot NAS methods, examine how sensitive they are to their hyperparameters and how they can be improved by tuning their hyperparameters, and compare their performance to that of blackbox optimizers for NAS-Bench-101.

preprint2020arXiv

Neural Architecture Evolution in Deep Reinforcement Learning for Continuous Control

Current Deep Reinforcement Learning algorithms still heavily rely on handcrafted neural network architectures. We propose a novel approach to automatically find strong topologies for continuous control tasks while only adding a minor overhead in terms of interactions in the environment. To achieve this, we combine Neuroevolution techniques with off-policy training and propose a novel architecture mutation operator. Experiments on five continuous control benchmarks show that the proposed Actor-Critic Neuroevolution algorithm often outperforms the strong Actor-Critic baseline and is capable of automatically finding topologies in a sample-efficient manner which would otherwise have to be found by expensive architecture search.

preprint2020arXiv

On the Promise of the Stochastic Generalized Gauss-Newton Method for Training DNNs

Following early work on Hessian-free methods for deep learning, we study a stochastic generalized Gauss-Newton method (SGN) for training DNNs. SGN is a second-order optimization method, with efficient iterations, that we demonstrate to often require substantially fewer iterations than standard SGD to converge. As the name suggests, SGN uses a Gauss-Newton approximation for the Hessian matrix, and, in order to compute an approximate search direction, relies on the conjugate gradient method combined with forward and reverse automatic differentiation. Despite the success of SGD and its first-order variants, and despite Hessian-free methods based on the Gauss-Newton Hessian approximation having been already theoretically proposed as practical methods for training DNNs, we believe that SGN has a lot of undiscovered and yet not fully displayed potential in big mini-batch scenarios. For this setting, we demonstrate that SGN does not only substantially improve over SGD in terms of the number of iterations, but also in terms of runtime. This is made possible by an efficient, easy-to-use and flexible implementation of SGN we propose in the Theano deep learning platform, which, unlike Tensorflow and Pytorch, supports forward automatic differentiation. This enables researchers to further study and improve this promising optimization technique and hopefully reconsider stochastic second-order methods as competitive optimization techniques for training DNNs; we also hope that the promise of SGN may lead to forward automatic differentiation being added to Tensorflow or Pytorch. Our results also show that in big mini-batch scenarios SGN is more robust than SGD with respect to its hyperparameters (we never had to tune its step-size for our benchmarks!), which eases the expensive process of hyperparameter tuning that is instead crucial for the performance of first-order methods.

preprint2020arXiv

Understanding and Robustifying Differentiable Architecture Search

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.