Systematic generalization is a crucial aspect of intelligence, which refers to the ability to generalize to novel tasks by combining known subtasks and concepts. One critical factor that has been shown to influence systematic generalization is the diversity of training data. However, diversity can be defined in various ways, as data have many factors of variation. A more granular understanding of how different aspects of data diversity affect systematic generalization is lacking. We present new evidence in the problem of Visual Question Answering (VQA) that reveals that the diversity of simple tasks (i.e. tasks formed by a few subtasks and concepts) plays a key role in achieving systematic generalization. This implies that it may not be essential to gather a large and varied number of complex tasks, which could be costly to obtain. We demonstrate that this result is independent of the similarity between the training and testing data and applies to well-known families of neural network architectures for VQA (i.e. monolithic architectures and neural module networks). Additionally, we observe that neural module networks leverage all forms of data diversity we evaluated, while monolithic architectures require more extensive amounts of data to do so. These findings provide a first step towards understanding the interactions between data diversity design, neural network architectures, and systematic generalization capabilities.

Calibrating neural networks is of utmost importance when employing them in safety-critical applications where the downstream decision making depends on the predicted probabilities. Measuring calibration error amounts to comparing two empirical distributions. In this work, we introduce a binning-free calibration measure inspired by the classical Kolmogorov-Smirnov (KS) statistical test in which the main idea is to compare the respective cumulative probability distributions. From this, by approximating the empirical cumulative distribution using a differentiable function via splines, we obtain a recalibration function, which maps the network outputs to actual (calibrated) class assignment probabilities. The spine-fitting is performed using a held-out calibration set and the obtained recalibration function is evaluated on an unseen test set. We tested our method against existing calibration approaches on various image classification datasets and our spline-based recalibration approach consistently outperforms existing methods on KS error as well as other commonly used calibration measures.

Calibration of neural networks is a critical aspect to consider when incorporating machine learning models in real-world decision-making systems where the confidence of decisions are equally important as the decisions themselves. In recent years, there is a surge of research on neural network calibration and the majority of the works can be categorized into post-hoc calibration methods, defined as methods that learn an additional function to calibrate an already trained base network. In this work, we intend to understand the post-hoc calibration methods from a theoretical point of view. Especially, it is known that minimizing Negative Log-Likelihood (NLL) will lead to a calibrated network on the training set if the global optimum is attained (Bishop, 1994). Nevertheless, it is not clear learning an additional function in a post-hoc manner would lead to calibration in the theoretical sense. To this end, we prove that even though the base network ($f$) does not lead to the global optimum of NLL, by adding additional layers ($g$) and minimizing NLL by optimizing the parameters of $g$ one can obtain a calibrated network $g \circ f$. This not only provides a less stringent condition to obtain a calibrated network but also provides a theoretical justification of post-hoc calibration methods. Our experiments on various image classification benchmarks confirm the theory.