Finding NEEMo: Geometric Fitting using Neural Estimation of the Energy Mover's Distance

A novel neural architecture was recently developed that enforces an exact upper bound on the Lipschitz constant of the model by constraining the norm of its weights in a minimal way, resulting in higher expressiveness compared to other techniques. We present a new and interesting direction for this architecture: estimation of the Wasserstein metric (Earth Mover's Distance) in optimal transport by employing the Kantorovich-Rubinstein duality to enable its use in geometric fitting applications. Specifically, we focus on the field of high-energy particle physics, where it has been shown that a metric for the space of particle-collider events can be defined based on the Wasserstein metric, referred to as the Energy Mover's Distance (EMD). This metrization has the potential to revolutionize data-driven collider phenomenology. The work presented here represents a major step towards realizing this goal by providing a differentiable way of directly calculating the EMD. We show how the flexibility that our approach enables can be used to develop novel clustering algorithms.Comment: 5 pages, 4 figure

CLIP: Cheap Lipschitz Training of Neural Networks

Despite the large success of deep neural networks (DNN) in recent years, most neural networks still lack mathematical guarantees in terms of stability. For instance, DNNs are vulnerable to small or even imperceptible input perturbations, so called adversarial examples, that can cause false predictions. This instability can have severe consequences in applications which influence the health and safety of humans, e.g., biomedical imaging or autonomous driving. While bounding the Lipschitz constant of a neural network improves stability, most methods rely on restricting the Lipschitz constants of each layer which gives a poor bound for the actual Lipschitz constant. In this paper we investigate a variational regularization method named CLIP for controlling the Lipschitz constant of a neural network, which can easily be integrated into the training procedure. We mathematically analyze the proposed model, in particular discussing the impact of the chosen regularization parameter on the output of the network. Finally, we numerically evaluate our method on both a nonlinear regression problem and the MNIST and Fashion-MNIST classification databases, and compare our results with a weight regularization approach.Comment: 12 pages, 2 figures, accepted at SSVM 202

Expressive Monotonic Neural Networks

The monotonic dependence of the outputs of a neural network on some of its inputs is a crucial inductive bias in many scenarios where domain knowledge dictates such behavior. This is especially important for interpretability and fairness considerations. In a broader context, scenarios in which monotonicity is important can be found in finance, medicine, physics, and other disciplines. It is thus desirable to build neural network architectures that implement this inductive bias provably. In this work, we propose a weight-constrained architecture with a single residual connection to achieve exact monotonic dependence in any subset of the inputs. The weight constraint scheme directly controls the Lipschitz constant of the neural network and thus provides the additional benefit of robustness. Compared to currently existing techniques used for monotonicity, our method is simpler in implementation and in theory foundations, has negligible computational overhead, is guaranteed to produce monotonic dependence, and is highly expressive. We show how the algorithm is used to train powerful, robust, and interpretable discriminators that achieve competitive performance compared to current state-of-the-art methods across various benchmarks, from social applications to the classification of the decays of subatomic particles produced at the CERN Large Hadron Collider.Comment: 9 pages, 4 figures, ICLR 2023 final submissio