Hanna Wutte

Jakob Heiss, Josef Teichmann, Hanna Wutte · berkeley

Randomized neural networks (randomized NNs), where only the terminal layer's weights are optimized constitute a powerful model class to reduce computational time in training the neural network model. At the same time, these models generalize surprisingly well in various regression and classification tasks. In this paper, we give an exact macroscopic characterization (i.e., a characterization in function space) of the generalization behavior of randomized, shallow NNs with ReLU activation (RSNs). We show that RSNs correspond to a generalized additive model (GAM)-typed regression in which infinitely many directions are considered: the infinite generalized additive model (IGAM). The IGAM is formalized as solution to an optimization problem in function space for a specific regularization functional and a fairly general loss. This work is an extension to multivariate NNs of prior work, where we showed how wide RSNs with ReLU activation behave like spline regression under certain conditions and if the input is one-dimensional.

Jakob Heiss, Sören Lambrecht, Jakob Weissteiner et al. · berkeley

We study post-calibration uncertainty for trained ensembles of classifiers. Specifically, we consider both aleatoric (label noise) and epistemic (model) uncertainty. Among the most popular and widely used calibration methods in classification are temperature scaling (i.e., pool-then-calibrate) and conformal methods. However, the main shortcoming of these calibration methods is that they do not balance the proportion of aleatoric and epistemic uncertainty. Not balancing these uncertainties can severely misrepresent predictive uncertainty, leading to overconfident predictions in some input regions while being underconfident in others. To address this shortcoming, we present a simple but powerful calibration algorithm Joint Uncertainty Calibration (JUCAL) that jointly calibrates aleatoric and epistemic uncertainty. JUCAL jointly calibrates two constants to weight and scale epistemic and aleatoric uncertainties by optimizing the negative log-likelihood (NLL) on the validation/calibration dataset. JUCAL can be applied to any trained ensemble of classifiers (e.g., transformers, CNNs, or tree-based methods), with minimal computational overhead, without requiring access to the models' internal parameters. We experimentally evaluate JUCAL on various text classification tasks, for ensembles of varying sizes and with different ensembling strategies. Our experiments show that JUCAL significantly outperforms SOTA calibration methods across all considered classification tasks, reducing NLL and predictive set size by up to 15% and 20%, respectively. Interestingly, even applying JUCAL to an ensemble of size 5 can outperform temperature-scaled ensembles of size up to 50 in terms of NLL and predictive set size, resulting in up to 10 times smaller inference costs. Thus, we propose JUCAL as a new go-to method for calibrating ensembles in classification.

Florian Krach, Josef Teichmann, Hanna Wutte

Robust utility optimization enables an investor to deal with market uncertainty in a structured way, with the goal of maximizing the worst-case outcome. In this work, we propose a generative adversarial network (GAN) approach to (approximately) solve robust utility optimization problems in general and realistic settings. In particular, we model both the investor and the market by neural networks (NN) and train them in a mini-max zero-sum game. This approach is applicable for any continuous utility function and in realistic market settings with trading costs, where only observable information of the market can be used. A large empirical study shows the versatile usability of our method. Whenever an optimal reference strategy is available, our method performs on par with it and in the (many) settings without known optimal strategy, our method outperforms all other reference strategies. Moreover, we can conclude from our study that the trained path-dependent strategies do not outperform Markovian ones. Lastly, we uncover that our generative approach for learning optimal, (non-) robust investments under trading costs generates universally applicable alternatives to well known asymptotic strategies of idealized settings.

Jakob Heiss, Josef Teichmann, Hanna Wutte

In practice, multi-task learning (through learning features shared among tasks) is an essential property of deep neural networks (NNs). While infinite-width limits of NNs can provide good intuition for their generalization behavior, the well-known infinite-width limits of NNs in the literature (e.g., neural tangent kernels) assume specific settings in which wide ReLU-NNs behave like shallow Gaussian Processes with a fixed kernel. Consequently, in such settings, these NNs lose their ability to benefit from multi-task learning in the infinite-width limit. In contrast, we prove that optimizing wide ReLU neural networks with at least one hidden layer using L2-regularization on the parameters promotes multi-task learning due to representation-learning - also in the limiting regime where the network width tends to infinity. We present an exact quantitative characterization of this infinite width limit in an appropriate function space that neatly describes multi-task learning.

Jakob Heiss, Jakob Weissteiner, Hanna Wutte et al.

We study methods for estimating model uncertainty for neural networks (NNs) in regression. To isolate the effect of model uncertainty, we focus on a noiseless setting with scarce training data. We introduce five important desiderata regarding model uncertainty that any method should satisfy. However, we find that established benchmarks often fail to reliably capture some of these desiderata, even those that are required by Bayesian theory. To address this, we introduce a new approach for capturing model uncertainty for NNs, which we call Neural Optimization-based Model Uncertainty (NOMU). The main idea of NOMU is to design a network architecture consisting of two connected sub-NNs, one for model prediction and one for model uncertainty, and to train it using a carefully-designed loss function. Importantly, our design enforces that NOMU satisfies our five desiderata. Due to its modular architecture, NOMU can provide model uncertainty for any given (previously trained) NN if given access to its training data. We evaluate NOMU in various regressions tasks and noiseless Bayesian optimization (BO) with costly evaluations. In regression, NOMU performs at least as well as state-of-the-art methods. In BO, NOMU even outperforms all considered benchmarks.

Jakob Heiss, Josef Teichmann, Hanna Wutte

In this paper, we consider one dimensional (shallow) ReLU neural networks in which weights are chosen randomly and only the terminal layer is trained. First, we mathematically show that for such networks L2-regularized regression corresponds in function space to regularizing the estimate's second derivative for fairly general loss functionals. For least squares regression, we show that the trained network converges to the smooth spline interpolation of the training data as the number of hidden nodes tends to infinity. Moreover, we derive a novel correspondence between the early stopped gradient descent (without any explicit regularization of the weights) and the smoothing spline regression.