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Offline reinforcement learning (RL) is a promising direction that allows RL agents to pre-train on large datasets, avoiding the recurrence of expensive data collection. To advance the field, it is crucial to generate large-scale datasets. Compositional RL is particularly appealing for generating such large datasets, since 1)~it permits creating many tasks from few components, 2)~the task structure may enable trained agents to solve new tasks by combining relevant learned components, and 3)~the compositional dimensions provide a notion of task relatedness. This paper provides four offline RL datasets for simulated robotic manipulation created using the $256$ tasks from CompoSuite [Mendez at al., 2022a]. Each dataset is collected from an agent with a different degree of performance, and consists of $256$ million transitions. We provide training and evaluation settings for assessing an agent's ability to learn compositional task policies. Our benchmarking experiments show that current offline RL methods can learn the training tasks to some extent and that compositional methods outperform non-compositional methods. Yet current methods are unable to extract the compositional structure to generalize to unseen tasks, highlighting a need for future research in offline compositional RL.

Herein the topics of (natural) gradient descent, data decorrelation, and approximate methods for backpropagation are brought into a dialogue. Natural gradient descent illuminates how gradient vectors, pointing at directions of steepest descent, can be improved by considering the local curvature of loss landscapes. We extend this perspective and show that to fully solve the problem illuminated by natural gradients in neural networks, one must recognise that correlations in the data at any linear transformation, including node responses at every layer of a neural network, cause a non-orthonormal relationship between the model's parameters. To solve this requires a solution to decorrelate inputs at each individual layer of a neural network. We describe a range of methods which have been proposed for decorrelation and whitening of node output, while providing a novel method specifically useful for distributed computing and computational neuroscience. Implementing decorrelation within multi-layer neural networks, we can show that not only is training via backpropagation sped up significantly but also existing approximations of backpropagation, which have failed catastrophically in the past, are made performant once more. This has the potential to provide a route forward for approximate gradient descent methods which have previously been discarded, training approaches for analogue and neuromorphic hardware, and potentially insights as to the efficacy and utility of decorrelation processes in the brain.

The ability to properly benchmark model performance in the face of spurious correlations is important to both build better predictors and increase confidence that models are operating as intended. We demonstrate that characterizing (as opposed to simply quantifying) model mistakes across subgroups is pivotal to properly reflect model biases, which are ignored by standard metrics such as worst-group accuracy or accuracy gap. Inspired by the hypothesis testing framework, we introduce SkewSize, a principled and flexible metric that captures bias from mistakes in a model's predictions. It can be used in multi-class settings or generalised to the open vocabulary setting of generative models. SkewSize is an aggregation of the effect size of the interaction between two categorical variables: the spurious variable representing the bias attribute and the model's prediction. We demonstrate the utility of SkewSize in multiple settings including: standard vision models trained on synthetic data, vision models trained on ImageNet, and large scale vision-and-language models from the BLIP-2 family. In each case, the proposed SkewSize is able to highlight biases not captured by other metrics, while also providing insights on the impact of recently proposed techniques, such as instruction tuning.

Conformal Prediction (CP) stands out as a robust framework for uncertainty quantification, which is crucial for ensuring the reliability of predictions. However, common CP methods heavily rely on data exchangeability, a condition often violated in practice. Existing approaches for tackling non-exchangeability lead to methods that are not computable beyond the simplest examples. This work introduces a new efficient approach to CP that produces provably valid confidence sets for fairly general non-exchangeable data distributions. We illustrate the general theory with applications to the challenging setting of federated learning under data heterogeneity between agents. Our method allows constructing provably valid personalized prediction sets for agents in a fully federated way. The effectiveness of the proposed method is demonstrated in a series of experiments on real-world datasets.

Since training deep neural networks takes significant computational resources, extending the training dataset with new data is difficult, as it typically requires complete retraining. Moreover, specific applications do not allow costly retraining due to time or computational constraints. We address this issue by proposing a novel Bayesian update method for deep neural networks by using a last-layer Laplace approximation. Concretely, we leverage second-order optimization techniques on the Gaussian posterior distribution of a Laplace approximation, computing the inverse Hessian matrix in closed form. This way, our method allows for fast and effective updates upon the arrival of new data in a stationary setting. A large-scale evaluation study across different data modalities confirms that our updates are a fast and competitive alternative to costly retraining. Furthermore, we demonstrate its applicability in a deep active learning scenario by using our update to improve existing selection strategies.

Deep learning models have shown considerable vulnerability to adversarial attacks, particularly as attacker strategies become more sophisticated. While traditional adversarial training (AT) techniques offer some resilience, they often focus on defending against a single type of attack, e.g., the $\ell_\infty$-norm attack, which can fail for other types. This paper introduces a computationally efficient multilevel $\ell_p$ defense, called the Efficient Robust Mode Connectivity (EMRC) method, which aims to enhance a deep learning model's resilience against multiple $\ell_p$-norm attacks. Similar to analytical continuation approaches used in continuous optimization, the method blends two $p$-specific adversarially optimal models, the $\ell_1$- and $\ell_\infty$-norm AT solutions, to provide good adversarial robustness for a range of $p$. We present experiments demonstrating that our approach performs better on various attacks as compared to AT-$\ell_\infty$, E-AT, and MSD, for datasets/architectures including: CIFAR-10, CIFAR-100 / PreResNet110, WideResNet, ViT-Base.

Large language models in the past have typically relied on some form of reinforcement learning with human feedback (RLHF) to better align model responses with human preferences. However, because of oft-observed instabilities when implementing these RLHF pipelines, various reparameterization techniques have recently been introduced to sidestep the need for separately learning an RL reward model. Instead, directly fine-tuning for human preferences is achieved via the minimization of a single closed-form training objective, a process originally referred to as direct preference optimization (DPO) and followed by several notable descendants. Although effective in certain real-world settings, we introduce new evaluation criteria that serve to highlight unresolved shortcomings in the ability of existing DPO methods to interpolate between a pre-trained reference model and empirical measures of human preferences, as well as unavoidable trade-offs in how low- and high-quality responses are regularized and constraints are handled. Our insights then motivate an alternative DPO-like loss that provably mitigates these limitations. Empirical results serve to corroborate notable aspects of our analyses.

With the increasing research attention on fairness in information retrieval systems, more and more fairness-aware algorithms have been proposed to ensure fairness for a sustainable and healthy retrieval ecosystem. However, as the most adopted measurement of fairness-aware algorithms, group fairness evaluation metrics, require group membership information that needs massive human annotations and is barely available for general information retrieval datasets. This data sparsity significantly impedes the development of fairness-aware information retrieval studies. Hence, a practical, scalable, low-cost group membership annotation method is needed to assist or replace human annotations. This study explored how to leverage language models to automatically annotate group membership for group fairness evaluations, focusing on annotation accuracy and its impact. Our experimental results show that BERT-based models outperformed state-of-the-art large language models, including GPT and Mistral, achieving promising annotation accuracy with minimal supervision in recent fair-ranking datasets. Our impact-oriented evaluations reveal that minimal annotation error will not degrade the effectiveness and robustness of group fairness evaluation. The proposed annotation method reduces tremendous human efforts and expands the frontier of fairness-aware studies to more datasets.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Benefit from the quick development of deep learning techniques, salient object detection has achieved remarkable progresses recently. However, there still exists following two major challenges that hinder its application in embedded devices, low resolution output and heavy model weight. To this end, this paper presents an accurate yet compact deep network for efficient salient object detection. More specifically, given a coarse saliency prediction in the deepest layer, we first employ residual learning to learn side-output residual features for saliency refinement, which can be achieved with very limited convolutional parameters while keep accuracy. Secondly, we further propose reverse attention to guide such side-output residual learning in a top-down manner. By erasing the current predicted salient regions from side-output features, the network can eventually explore the missing object parts and details which results in high resolution and accuracy. Experiments on six benchmark datasets demonstrate that the proposed approach compares favorably against state-of-the-art methods, and with advantages in terms of simplicity, efficiency (45 FPS) and model size (81 MB).