Fábio Ferreira

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.

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.

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.

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.