Few-shot learning (FSL) is a central problem in meta-learning, where learners must efficiently learn from few labeled examples. Within FSL, feature pre-training has become a popular strategy to significantly improve generalization performance. However, the contribution of pre-training to generalization performance is often overlooked and understudied, with limited theoretical understanding. Further, pre-training requires a consistent set of global labels shared across training tasks, which may be unavailable in practice. In this work, we address the above issues by first showing the connection between pre-training and meta-learning. We discuss why pre-training yields more robust meta-representation and connect the theoretical analysis to existing works and empirical results. Second, we introduce Meta Label Learning (MeLa), a novel meta-learning algorithm that learns task relations by inferring global labels across tasks. This allows us to exploit pre-training for FSL even when global labels are unavailable or ill-defined. Lastly, we introduce an augmented pre-training procedure that further improves the learned meta-representation. Empirically, MeLa outperforms existing methods across a diverse range of benchmarks, in particular under a more challenging setting where the number of training tasks is limited and labels are task-specific.

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally demanding. To bypass this difficulty, we propose a transfer learning algorithm that leverages the ability of graph neural networks (GNNs) to represent chemical environments together with kernel mean embeddings. We extract a feature map from GNNs pre-trained on the OC20 dataset and use it to learn the potential energy surface from system-specific datasets of catalytic processes. Our method is further enhanced by incorporating into the kernel the chemical species information, resulting in improved performance and interpretability. We test our approach on a series of realistic datasets of increasing complexity, showing excellent generalization and transferability performance, and improving on methods that rely on GNNs or ridge regression alone, as well as similar fine-tuning approaches.

We study the linear contextual bandit problem where an agent has to select one candidate from a pool and each candidate belongs to a sensitive group. In this setting, candidates' rewards may not be directly comparable between groups, for example when the agent is an employer hiring candidates from different ethnic groups and some groups have a lower reward due to discriminatory bias and/or social injustice. We propose a notion of fairness that states that the agent's policy is fair when it selects a candidate with highest relative rank, which measures how good the reward is when compared to candidates from the same group. This is a very strong notion of fairness, since the relative rank is not directly observed by the agent and depends on the underlying reward model and on the distribution of rewards. Thus we study the problem of learning a policy which approximates a fair policy under the condition that the contexts are independent between groups and the distribution of rewards of each group is absolutely continuous. In particular, we design a greedy policy which at each round constructs a ridge regression estimate from the observed context-reward pairs, and then computes an estimate of the relative rank of each candidate using the empirical cumulative distribution function. We prove that, despite its simplicity and the lack of an initial exploration phase, the greedy policy achieves, up to log factors and with high probability, a fair pseudo-regret of order $\sqrt{dT}$ after $T$ rounds, where $d$ is the dimension of the context vectors. The policy also satisfies demographic parity at each round when averaged over all possible information available before the selection. Finally, we use simulated settings and experiments on the US census data to show that our policy achieves sub-linear fair pseudo-regret also in practice.

Meta-learning algorithms have made significant progress in the context of meta-learning for image classification but less attention has been given to the regression setting. In this paper we propose to learn the probability distribution representing a random feature kernel that we wish to use within kernel ridge regression (KRR). We introduce two instances of this meta-learning framework, learning a neural network pushforward for a translation-invariant kernel and an affine pushforward for a neural network random feature kernel, both mapping from a Gaussian latent distribution. We learn the parameters of the pushforward by minimizing a meta-loss associated to the KRR objective. Since the resulting kernel does not admit an analytical form, we adopt a random feature sampling approach to approximate it. We call the resulting method Implicit Kernel Meta-Learning (IKML). We derive a meta-learning bound for IKML, which shows the role played by the number of tasks $T$, the task sample size $n$, and the number of random features $M$. In particular the bound implies that $M$ can be the chosen independently of $T$ and only mildly dependent on $n$. We introduce one synthetic and two real-world meta-learning regression benchmark datasets. Experiments on these datasets show that IKML