ARLBench: Flexible and Efficient Benchmarking for Hyperparameter Optimization in Reinforcement Learning

Hyperparameters are a critical factor in reliably training well-performing reinforcement learning (RL) agents. Unfortunately, developing and evaluating automated approaches for tuning such hyperparameters is both costly and time-consuming. As a result, such approaches are often only evaluated on a single domain or algorithm, making comparisons difficult and limiting insights into their generalizability. We propose ARLBench, a benchmark for hyperparameter optimization (HPO) in RL that allows comparisons of diverse HPO approaches while being highly efficient in evaluation. To enable research into HPO in RL, even in settings with low compute resources, we select a representative subset of HPO tasks spanning a variety of algorithm and environment combinations. This selection allows for generating a performance profile of an automated RL (AutoRL) method using only a fraction of the compute previously necessary, enabling a broader range of researchers to work on HPO in RL. With the extensive and large-scale dataset on hyperparameter landscapes that our selection is based on, ARLBench is an efficient, flexible, and future-oriented foundation for research on AutoRL. Both the benchmark and the dataset are available at https://github.com/automl/arlbench.

One-shot World Models Using a Transformer Trained on a Synthetic Prior

A World Model is a compressed spatial and temporal representation of a real world environment that allows one to train an agent or execute planning methods. However, world models are typically trained on observations from the real world environment, and they usually do not enable learning policies for other real environments. We propose One-Shot World Model (OSWM), a transformer world model that is learned in an in-context learning fashion from purely synthetic data sampled from a prior distribution. Our prior is composed of multiple randomly initialized neural networks, where each network models the dynamics of each state and reward dimension of a desired target environment. We adopt the supervised learning procedure of Prior-Fitted Networks by masking next-state and reward at random context positions and query OSWM to make probabilistic predictions based on the remaining transition context. During inference time, OSWM is able to quickly adapt to the dynamics of a simple grid world, as well as the CartPole gym and a custom control environment by providing 1k transition steps as context and is then able to successfully train environment-solving agent policies. However, transferring to more complex environments remains a challenge, currently. Despite these limitations, we see this work as an important stepping-stone in the pursuit of learning world models purely from synthetic data.

Efficient Search for Customized Activation Functions with Gradient Descent

Different activation functions work best for different deep learning models. To exploit this, we leverage recent advancements in gradient-based search techniques for neural architectures to efficiently identify high-performing activation functions for a given application. We propose a fine-grained search cell that combines basic mathematical operations to model activation functions, allowing for the exploration of novel activations. Our approach enables the identification of specialized activations, leading to improved performance in every model we tried, from image classification to language models. Moreover, the identified activations exhibit strong transferability to larger models of the same type, as well as new datasets. Importantly, our automated process for creating customized activation functions is orders of magnitude more efficient than previous approaches. It can easily be applied on top of arbitrary deep learning pipelines and thus offers a promising practical avenue for enhancing deep learning architectures.

LMEMs for post-hoc analysis of HPO Benchmarking

The importance of tuning hyperparameters in Machine Learning (ML) and Deep Learning (DL) is established through empirical research and applications, evident from the increase in new hyperparameter optimization (HPO) algorithms and benchmarks steadily added by the community. However, current benchmarking practices using averaged performance across many datasets may obscure key differences between HPO methods, especially for pairwise comparisons. In this work, we apply Linear Mixed-Effect Models-based (LMEMs) significance testing for post-hoc analysis of HPO benchmarking runs. LMEMs allow flexible and expressive modeling on the entire experiment data, including information such as benchmark meta-features, offering deeper insights than current analysis practices. We demonstrate this through a case study on the PriorBand paper's experiment data to find insights not reported in the original work.

FairPFN: Transformers Can do Counterfactual Fairness

Machine Learning systems are increasingly prevalent across healthcare, law enforcement, and finance but often operate on historical data, which may carry biases against certain demographic groups. Causal and counterfactual fairness provides an intuitive way to define fairness that closely aligns with legal standards. Despite its theoretical benefits, counterfactual fairness comes with several practical limitations, largely related to the reliance on domain knowledge and approximate causal discovery techniques in constructing a causal model. In this study, we take a fresh perspective on counterfactually fair prediction, building upon recent work in in context learning (ICL) and prior fitted networks (PFNs) to learn a transformer called FairPFN. This model is pretrained using synthetic fairness data to eliminate the causal effects of protected attributes directly from observational data, removing the requirement of access to the correct causal model in practice. In our experiments, we thoroughly assess the effectiveness of FairPFN in eliminating the causal impact of protected attributes on a series of synthetic case studies and real world datasets. Our findings pave the way for a new and promising research area: transformers for causal and counterfactual fairness.

Fast Optimizer Benchmark

In this paper, we present the Fast Optimizer Benchmark (FOB), a tool designed for evaluating deep learning optimizers during their development. The benchmark supports tasks from multiple domains such as computer vision, natural language processing, and graph learning. The focus is on convenient usage, featuring human-readable YAML configurations, SLURM integration, and plotting utilities. FOB can be used together with existing hyperparameter optimization (HPO) tools as it handles training and resuming of runs. The modular design enables integration into custom pipelines, using it simply as a collection of tasks. We showcase an optimizer comparison as a usage example of our tool. FOB can be found on GitHub: https://github.com/automl/FOB.

Position: A Call to Action for a Human-Centered AutoML Paradigm

Automated machine learning (AutoML) was formed around the fundamental objectives of automatically and efficiently configuring machine learning (ML) workflows, aiding the research of new ML algorithms, and contributing to the democratization of ML by making it accessible to a broader audience. Over the past decade, commendable achievements in AutoML have primarily focused on optimizing predictive performance. This focused progress, while substantial, raises questions about how well AutoML has met its broader, original goals. In this position paper, we argue that a key to unlocking AutoML's full potential lies in addressing the currently underexplored aspect of user interaction with AutoML systems, including their diverse roles, expectations, and expertise. We envision a more human-centered approach in future AutoML research, promoting the collaborative design of ML systems that tightly integrates the complementary strengths of human expertise and AutoML methodologies.

HW-GPT-Bench: Hardware-Aware Architecture Benchmark for Language Models

The expanding size of language models has created the necessity for a comprehensive examination across various dimensions that reflect the desiderata with respect to the tradeoffs between various hardware metrics, such as latency, energy consumption, GPU memory usage, and performance. There is a growing interest in establishing Pareto frontiers for different language model configurations to identify optimal models with specified hardware constraints. Notably, architectures that excel in latency on one device may not perform optimally on another. However, exhaustive training and evaluation of numerous architectures across diverse hardware configurations is computationally prohibitive. To this end, we propose HW-GPT-Bench, a hardware-aware language model surrogate benchmark, where we leverage weight-sharing techniques from Neural Architecture Search (NAS) to efficiently train a supernet proxy, encompassing language models of varying scales in a single model. We conduct profiling of these models across 13 devices, considering 5 hardware metrics and 3 distinct model scales. Finally, we showcase the usability of HW-GPT-Bench using 8 different multi-objective NAS algorithms and evaluate the quality of the resultant Pareto fronts. Through this benchmark, our objective is to propel and expedite research in the advancement of multi-objective methods for NAS and structural pruning in large language models.

Don't Waste Your Time: Early Stopping Cross-Validation

State-of-the-art automated machine learning systems for tabular data often employ cross-validation; ensuring that measured performances generalize to unseen data, or that subsequent ensembling does not overfit. However, using k-fold cross-validation instead of holdout validation drastically increases the computational cost of validating a single configuration. While ensuring better generalization and, by extension, better performance, the additional cost is often prohibitive for effective model selection within a time budget. We aim to make model selection with cross-validation more effective. Therefore, we study early stopping the process of cross-validation during model selection. We investigate the impact of early stopping on random search for two algorithms, MLP and random forest, across 36 classification datasets. We further analyze the impact of the number of folds by considering 3-, 5-, and 10-folds. In addition, we investigate the impact of early stopping with Bayesian optimization instead of random search and also repeated cross-validation. Our exploratory study shows that even a simple-to-understand and easy-to-implement method consistently allows model selection to converge faster; in ~94% of all datasets, on average by ~214%. Moreover, stopping cross-validation enables model selection to explore the search space more exhaustively by considering +167% configurations on average within one hour, while also obtaining better overall performance.

In-Context Freeze-Thaw Bayesian Optimization for Hyperparameter Optimization

With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box alternative, strategically allocating scarce resources incrementally to different configurations. However, the frequent surrogate model updates inherent to this approach pose challenges for existing methods, requiring retraining or fine-tuning their neural network surrogates online, introducing overhead, instability, and hyper-hyperparameters. In this work, we propose FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data fitted network (PFN) that leverages the transformers' in-context learning ability to efficiently and reliably do Bayesian learning curve extrapolation in a single forward pass. Our empirical analysis across three benchmark suites shows that the predictions made by FT-PFN are more accurate and 10-100 times faster than those of the deep Gaussian process and deep ensemble surrogates used in previous work. Furthermore, we show that, when combined with our novel acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO method (ifBO), yields new state-of-the-art performance in the same three families of deep learning HPO benchmarks considered in prior work.