Fabio Ferreira

Adrian El Baz, Ihsan Ullah, Edesio Alcobaça et al.

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.

Diane Wagner, Fabio Ferreira, Danny Stoll et al.

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.

Ekrem Öztürk, Fabio Ferreira, Hadi S. Jomaa et al.

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.

Fabio Ferreira, Lucca Wobbe, Arjun Krishnakumar et al.

The autoresearch repository enables an LLM agent to search for optimal hyperparameter configurations on an unconstrained search space by editing the training code directly. Given a fixed compute budget and constraints, we use \emph{autoresearch} as a testbed to compare classical hyperparameter optimization (HPO) algorithms against LLM-based methods on tuning the hyperparameters of a small language model. Within a fixed hyperparameter search space, classical HPO methods such as CMA-ES and TPE consistently outperform LLM-based agents. However, an LLM agent that directly edits training source code in an unconstrained search space narrows the gap to classical methods substantially despite using only a self-hosted open-weight 27B model. Methods that avoid out-of-memory failures outperform those with higher search diversity, suggesting that reliability matters more than exploration breadth. While small and mid-sized LLMs struggle to track optimization state across trials, classical methods lack domain knowledge. To bridge this gap, we introduce Centaur, a hybrid that shares CMA-ES's internal state, including mean vector, step-size, and covariance matrix, with an LLM. Centaur achieves the best result in our experiments, with its 0.8B variant outperforming the 27B variant, suggesting that a cheap LLM suffices when paired with a strong classical optimizer. The 0.8B model is insufficient for unconstrained code editing but sufficient for hybrid optimization, while scaling to 27B provides no advantage for fixed search space methods with the open-weight models tested. Code is available at https://github.com/ferreirafabio/autoresearch-automl.

Sebastian Pineda Arango, Fabio Ferreira, Arlind Kadra et al.

With the ever-increasing number of pretrained models, machine learning practitioners are continuously faced with which pretrained model to use, and how to finetune it for a new dataset. In this paper, we propose a methodology that jointly searches for the optimal pretrained model and the hyperparameters for finetuning it. Our method transfers knowledge about the performance of many pretrained models with multiple hyperparameter configurations on a series of datasets. To this aim, we evaluated over 20k hyperparameter configurations for finetuning 24 pretrained image classification models on 87 datasets to generate a large-scale meta-dataset. We meta-learn a multi-fidelity performance predictor on the learning curves of this meta-dataset and use it for fast hyperparameter optimization on new datasets. We empirically demonstrate that our resulting approach can quickly select an accurate pretrained model for a new dataset together with its optimal hyperparameters.

Fabio Ferreira, Moreno Schlageter, Raghu Rajan et al.

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.

Fabio Ferreira, Ivo Rapant, Jörg K. H. Franke et al.

Self-Supervised Learning (SSL) methods typically rely on random image augmentations, or views, to make models invariant to different transformations. We hypothesize that the efficacy of pretraining pipelines based on conventional random view sampling can be enhanced by explicitly selecting views that benefit the learning progress. A simple yet effective approach is to select hard views that yield a higher loss. In this paper, we propose Hard View Pretraining (HVP), a learning-free strategy that extends random view generation by exposing models to more challenging samples during SSL pretraining. HVP encompasses the following iterative steps: 1) randomly sample multiple views and forward each view through the pretrained model, 2) create pairs of two views and compute their loss, 3) adversarially select the pair yielding the highest loss according to the current model state, and 4) perform a backward pass with the selected pair. In contrast to existing hard view literature, we are the first to demonstrate hard view pretraining's effectiveness at scale, particularly training on the full ImageNet-1k dataset, and evaluating across multiple SSL methods, ConvNets, and ViTs. As a result, HVP sets a new state-of-the-art on DINO ViT-B/16, reaching 78.8% linear evaluation accuracy (a 0.6% improvement) and consistent gains of 1% for both 100 and 300 epoch pretraining, with similar improvements across transfer tasks in DINO, SimSiam, iBOT, and SimCLR.

Zhengying Liu, Adrien Pavao, Zhen Xu et al.

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".

Laerte Xavier, Fabio Ferreira, Rodrigo Brito et al.

Self-admitted technical debt (SATD) is a particular case of Technical Debt (TD) where developers explicitly acknowledge their sub-optimal implementation decisions. Previous studies mine SATD by searching for specific TD-related terms in source code comments. By contrast, in this paper we argue that developers can admit technical debt by other means, e.g., by creating issues in tracking systems and labelling them as referring to TD. We refer to this type of SATD as issue-based SATD or just SATD-I. We study a sample of 286 SATD-I instances collected from five open source projects, including Microsoft Visual Studio and GitLab Community Edition. We show that only 29% of the studied SATD-I instances can be tracked to source code comments. We also show that SATD-I issues take more time to be closed, compared to other issues, although they are not more complex in terms of code churn. Besides, in 45% of the studied issues TD was introduced to ship earlier, and in almost 60% it refers to Design flaws. Finally, we report that most developers pay SATD-I to reduce its costs or interests (66%). Our findings suggest that there is space for designing novel tools to support technical debt management, particularly tools that encourage developers to create and label issues containing TD concerns.

Tobias Strangmann, Lennart Purucker, Jörg K. H. Franke et al.

As the landscape of large language models expands, efficiently finetuning for specific tasks becomes increasingly crucial. At the same time, the landscape of parameter-efficient finetuning methods rapidly expands. Consequently, practitioners face a multitude of complex choices when searching for an optimal finetuning pipeline for large language models. To reduce the complexity for practitioners, we investigate transfer learning for finetuning large language models and aim to transfer knowledge about configurations from related finetuning tasks to a new task. In this work, we transfer learn finetuning by meta-learning performance and cost surrogate models for grey-box meta-optimization from a new meta-dataset. Counter-intuitively, we propose to rely only on transfer learning for new datasets. Thus, we do not use task-specific Bayesian optimization but prioritize knowledge transferred from related tasks over task-specific feedback. We evaluate our method on eight synthetic question-answer datasets and a meta-dataset consisting of 1,800 runs of finetuning Microsoft's Phi-3. Our transfer learning is superior to zero-shot, default finetuning, and meta-optimization baselines. Our results demonstrate the transferability of finetuning to adapt large language models more effectively.

Fabio Ferreira

The growing number of pretrained models in Machine Learning (ML) presents significant challenges for practitioners. Given a new dataset, they need to determine the most suitable deep learning (DL) pipeline, consisting of the pretrained model and the hyperparameters for finetuning to it. Moreover, as models grow in scale, the increasing reliance on real-world data poses a bottleneck for training and requires leveraging data more effectively. Addressing the first challenge often involves manual model selection and hyperparameter tuning. At the same time, as models grow larger and more and more of the available human-generated data is being used for training, data augmentation and synthetic data become critical elements. Automated machine learning offers a path to address these challenges but is traditionally designed for tabular data and classical ML methods. This dissertation adopts meta-learning to extend automated machine learning to the deep learning domain. We propose empirical approaches to automate DL pipeline selection for Computer Vision tasks using prior task knowledge to learn surrogate models for pipeline ranking. Extending these methods to the language domain, we learn to finetune large language models. As a result, we show that our approach can outperform finetuning foundation models. Additionally, we meta-learn data augmentation and synthetic data to enhance performance in up-stream and down-stream tasks. We empirically show the underestimated importance of data augmentation when using Self-Supervised Learning and meta-learn advanced data augmentation strategies. Leveraging synthetic data, we also propose to meta-learn neural synthetic data generators as proxies for Reinforcement Learning (RL) environments. Additionally, we learn a multiple-environment world model in an in-context learning fashion by purely using synthetic, randomly sampled data.

Andrej Schwanke, Lyubomir Ivanov, David Salinas et al.

Large Language Models (LLMs) have recently emerged as effective surrogate models and candidate generators within global optimization frameworks for expensive blackbox functions. Despite promising results, LLM-based methods often struggle in high-dimensional search spaces or when lacking domain-specific priors, leading to sparse or uninformative suggestions. To overcome these limitations, we propose HOLLM, a novel global optimization algorithm that enhances LLM-driven sampling by partitioning the search space into promising subregions. Each subregion acts as a ``meta-arm'' selected via a bandit-inspired scoring mechanism that effectively balances exploration and exploitation. Within each selected subregion, an LLM then proposes high-quality candidate points, without any explicit domain knowledge. Empirical evaluation on standard optimization benchmarks shows that HOLLM consistently matches or surpasses leading Bayesian optimization and trust-region methods, while substantially outperforming global LLM-based sampling strategies.

Fabio Ferreira, Thomas Nierhoff, Andreas Saelinger et al.

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.

Fabio Ferreira, Thomas Nierhoff, Frank Hutter

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.

Lin Shao, Fabio Ferreira, Mikael Jorda et al.

To achieve a successful grasp, gripper attributes such as its geometry and kinematics play a role as important as the object geometry. The majority of previous work has focused on developing grasp methods that generalize over novel object geometry but are specific to a certain robot hand. We propose UniGrasp, an efficient data-driven grasp synthesis method that considers both the object geometry and gripper attributes as inputs. UniGrasp is based on a novel deep neural network architecture that selects sets of contact points from the input point cloud of the object. The proposed model is trained on a large dataset to produce contact points that are in force closure and reachable by the robot hand. By using contact points as output, we can transfer between a diverse set of multifingered robotic hands. Our model produces over 90% valid contact points in Top10 predictions in simulation and more than 90% successful grasps in real world experiments for various known two-fingered and three-fingered grippers. Our model also achieves 93%, 83% and 90% successful grasps in real world experiments for an unseen two-fingered gripper and two unseen multi-fingered anthropomorphic robotic hands.

Fabio Ferreira, Luciana Lourdes Silva, Marco Tulio Valente

Deep Learning (DL) is being used nowadays in many traditional Software Engineering (SE) problems and tasks. However, since the renaissance of DL techniques is still very recent, we lack works that summarize and condense the most recent and relevant research conducted at the intersection of DL and SE. Therefore, in this paper, we describe the first results of a mapping study covering 81 papers about DL & SE. Our results confirm that DL is gaining momentum among SE researchers over the years and that the top-3 research problems tackled by the analyzed papers are documentation, defect prediction, and testing.

Raghu Rajan, Jessica Lizeth Borja Diaz, Suresh Guttikonda et al.

We present MDP Playground, a testbed for Reinforcement Learning (RL) agents with dimensions of hardness that can be controlled independently to challenge agents in different ways and obtain varying degrees of hardness in toy and complex RL environments. We consider and allow control over a wide variety of dimensions, including delayed rewards, sequence lengths, reward density, stochasticity, image representations, irrelevant features, time unit, action range and more. We define a parameterised collection of fast-to-run toy environments in OpenAI Gym by varying these dimensions and propose to use these to understand agents better. We then show how to design experiments using MDP Playground to gain insights on the toy environments. We also provide wrappers that can inject many of these dimensions into any Gym environment. We experiment with these wrappers on Atari and Mujoco to allow for understanding the effects of these dimensions on environments that are more complex than the toy environments. We also compare the effect of the dimensions on the toy and complex environments. Finally, we show how to use MDP Playground to debug agents, to study the interaction of multiple dimensions and describe further use-cases.

Fabio Ferreira, Lin Shao, Tamim Asfour et al.

Endowing robots with human-like physical reasoning abilities remains challenging. We argue that existing methods often disregard spatio-temporal relations and by using Graph Neural Networks (GNNs) that incorporate a relational inductive bias, we can shift the learning process towards exploiting relations. In this work, we learn action-conditional forward dynamics models of a simulated manipulation task from visual observations involving cluttered and irregularly shaped objects. We investigate two GNN approaches and empirically assess their capability to generalize to scenarios with novel and an increasing number of objects. The first, Graph Networks (GN) based approach, considers explicitly defined edge attributes and not only does it consistently underperform an auto-encoder baseline that we modified to predict future states, our results indicate how different edge attributes can significantly influence the predictions. Consequently, we develop the Auto-Predictor that does not rely on explicitly defined edge attributes. It outperforms the baseline and the GN-based models. Overall, our results show the sensitivity of GNN-based approaches to the task representation, the efficacy of relational inductive biases and advocate choosing lightweight approaches that implicitly reason about relations over ones that leave these decisions to human designers.

Jonas Rothfuss, Fabio Ferreira, Simon Boehm et al.

Modelling statistical relationships beyond the conditional mean is crucial in many settings. Conditional density estimation (CDE) aims to learn the full conditional probability density from data. Though highly expressive, neural network based CDE models can suffer from severe over-fitting when trained with the maximum likelihood objective. Due to the inherent structure of such models, classical regularization approaches in the parameter space are rendered ineffective. To address this issue, we develop a model-agnostic noise regularization method for CDE that adds random perturbations to the data during training. We demonstrate that the proposed approach corresponds to a smoothness regularization and prove its asymptotic consistency. In our experiments, noise regularization significantly and consistently outperforms other regularization methods across seven data sets and three CDE models. The effectiveness of noise regularization makes neural network based CDE the preferable method over previous non- and semi-parametric approaches, even when training data is scarce.

Jonas Rothfuss, Fabio Ferreira, Simon Walther et al.

Given a set of empirical observations, conditional density estimation aims to capture the statistical relationship between a conditional variable $\mathbf{x}$ and a dependent variable $\mathbf{y}$ by modeling their conditional probability $p(\mathbf{y}|\mathbf{x})$. The paper develops best practices for conditional density estimation for finance applications with neural networks, grounded on mathematical insights and empirical evaluations. In particular, we introduce a noise regularization and data normalization scheme, alleviating problems with over-fitting, initialization and hyper-parameter sensitivity of such estimators. We compare our proposed methodology with popular semi- and non-parametric density estimators, underpin its effectiveness in various benchmarks on simulated and Euro Stoxx 50 data and show its superior performance. Our methodology allows to obtain high-quality estimators for statistical expectations of higher moments, quantiles and non-linear return transformations, with very little assumptions about the return dynamic.

Fabio Ferreira, Jonas Rothfuss, Eren Erdal Aksoy et al.

We release two artificial datasets, Simulated Flying Shapes and Simulated Planar Manipulator that allow to test the learning ability of video processing systems. In particular, the dataset is meant as a tool which allows to easily assess the sanity of deep neural network models that aim to encode, reconstruct or predict video frame sequences. The datasets each consist of 90000 videos. The Simulated Flying Shapes dataset comprises scenes showing two objects of equal shape (rectangle, triangle and circle) and size in which one object approaches its counterpart. The Simulated Planar Manipulator shows a 3-DOF planar manipulator that executes a pick-and-place task in which it has to place a size-varying circle on a squared platform. Different from other widely used datasets such as moving MNIST [1], [2], the two presented datasets involve goal-oriented tasks (e.g. the manipulator grasping an object and placing it on a platform), rather than showing random movements. This makes our datasets more suitable for testing prediction capabilities and the learning of sophisticated motions by a machine learning model. This technical document aims at providing an introduction into the usage of both datasets.

Jonas Rothfuss, Fabio Ferreira, Eren Erdal Aksoy et al.

We present a novel deep neural network architecture for representing robot experiences in an episodic-like memory which facilitates encoding, recalling, and predicting action experiences. Our proposed unsupervised deep episodic memory model 1) encodes observed actions in a latent vector space and, based on this latent encoding, 2) infers most similar episodes previously experienced, 3) reconstructs original episodes, and 4) predicts future frames in an end-to-end fashion. Results show that conceptually similar actions are mapped into the same region of the latent vector space. Based on these results, we introduce an action matching and retrieval mechanism, benchmark its performance on two large-scale action datasets, 20BN-something-something and ActivityNet and evaluate its generalization capability in a real-world scenario on a humanoid robot.