Gradient-Regularized Out-of-Distribution Detection

One of the challenges for neural networks in real-life applications is the overconfident errors these models make when the data is not from the original training distribution. Addressing this issue is known as Out-of-Distribution (OOD) detection. Many state-of-the-art OOD methods employ an auxiliary dataset as a surrogate for OOD data during training to achieve improved performance. However, these methods fail to fully exploit the local information embedded in the auxiliary dataset. In this work, we propose the idea of leveraging the information embedded in the gradient of the loss function during training to enable the network to not only learn a desired OOD score for each sample but also to exhibit similar behavior in a local neighborhood around each sample. We also develop a novel energy-based sampling method to allow the network to be exposed to more informative OOD samples during the training phase. This is especially important when the auxiliary dataset is large. We demonstrate the effectiveness of our method through extensive experiments on several OOD benchmarks, improving the existing state-of-the-art FPR95 by 4% on our ImageNet experiment. We further provide a theoretical analysis through the lens of certified robustness and Lipschitz analysis to showcase the theoretical foundation of our work. We will publicly release our code after the review process.

Actor-Critic Physics-informed Neural Lyapunov Control

Designing control policies for stabilization tasks with provable guarantees is a long-standing problem in nonlinear control. A crucial performance metric is the size of the resulting region of attraction, which essentially serves as a robustness "margin" of the closed-loop system against uncertainties. In this paper, we propose a new method to train a stabilizing neural network controller along with its corresponding Lyapunov certificate, aiming to maximize the resulting region of attraction while respecting the actuation constraints. Crucial to our approach is the use of Zubov's Partial Differential Equation (PDE), which precisely characterizes the true region of attraction of a given control policy. Our framework follows an actor-critic pattern where we alternate between improving the control policy (actor) and learning a Zubov function (critic). Finally, we compute the largest certifiable region of attraction by invoking an SMT solver after the training procedure. Our numerical experiments on several design problems show consistent and significant improvements in the size of the resulting region of attraction.

Verification-Aided Learning of Neural Network Barrier Functions with Termination Guarantees

Barrier functions are a general framework for establishing a safety guarantee for a system. However, there is no general method for finding these functions. To address this shortcoming, recent approaches use self-supervised learning techniques to learn these functions using training data that are periodically generated by a verification procedure, leading to a verification-aided learning framework. Despite its immense potential in automating barrier function synthesis, the verification-aided learning framework does not have termination guarantees and may suffer from a low success rate of finding a valid barrier function in practice. In this paper, we propose a holistic approach to address these drawbacks. With a convex formulation of the barrier function synthesis, we propose to first learn an empirically well-behaved NN basis function and then apply a fine-tuning algorithm that exploits the convexity and counterexamples from the verification failure to find a valid barrier function with finite-step termination guarantees: if there exist valid barrier functions, the fine-tuning algorithm is guaranteed to find one in a finite number of iterations. We demonstrate that our fine-tuning method can significantly boost the performance of the verification-aided learning framework on examples of different scales and using various neural network verifiers.

Learning Performance-Oriented Control Barrier Functions Under Complex Safety Constraints and Limited Actuation

Control Barrier Functions (CBFs) provide an elegant framework for designing safety filters for nonlinear control systems by constraining their trajectories to an invariant subset of a prespecified safe set. However, the task of finding a CBF that concurrently maximizes the volume of the resulting control invariant set while accommodating complex safety constraints, particularly in high relative degree systems with actuation constraints, continues to pose a substantial challenge. In this work, we propose a novel self-supervised learning framework that holistically addresses these hurdles. Given a Boolean composition of multiple state constraints that define the safe set, our approach starts with building a single continuously differentiable function whose 0-superlevel set provides an inner approximation of the safe set. We then use this function together with a smooth neural network to parameterize the CBF candidate. Finally, we design a training loss function based on a Hamilton-Jacobi partial differential equation to train the CBF while enlarging the volume of the induced control invariant set. We demonstrate the effectiveness of our approach via numerical experiments.

Certified Robustness via Dynamic Margin Maximization and Improved Lipschitz Regularization

To improve the robustness of deep classifiers against adversarial perturbations, many approaches have been proposed, such as designing new architectures with better robustness properties (e.g., Lipschitz-capped networks), or modifying the training process itself (e.g., min-max optimization, constrained learning, or regularization). These approaches, however, might not be effective at increasing the margin in the input (feature) space. As a result, there has been an increasing interest in developing training procedures that can directly manipulate the decision boundary in the input space. In this paper, we build upon recent developments in this category by developing a robust training algorithm whose objective is to increase the margin in the output (logit) space while regularizing the Lipschitz constant of the model along vulnerable directions. We show that these two objectives can directly promote larger margins in the input space. To this end, we develop a scalable method for calculating guaranteed differentiable upper bounds on the Lipschitz constant of neural networks accurately and efficiently. The relative accuracy of the bounds prevents excessive regularization and allows for more direct manipulation of the decision boundary. Furthermore, our Lipschitz bounding algorithm exploits the monotonicity and Lipschitz continuity of the activation layers, and the resulting bounds can be used to design new layers with controllable bounds on their Lipschitz constant. Experiments on the MNIST, CIFAR-10, and Tiny-ImageNet data sets verify that our proposed algorithm obtains competitively improved results compared to the state-of-the-art.

Certified Invertibility in Neural Networks via Mixed-Integer Programming

Neural networks are notoriously vulnerable to adversarial attacks -- small imperceptible perturbations that can change the network's output drastically. In the reverse direction, there may exist large, meaningful perturbations that leave the network's decision unchanged (excessive invariance, nonivertibility). We study the latter phenomenon in two contexts: (a) discrete-time dynamical system identification, as well as (b) calibration of the output of one neural network to the output of another (neural network matching). For ReLU networks and $L_p$ norms ($p=1,2,\infty$), we formulate these optimization problems as mixed-integer programs (MIPs) that apply to neural network approximators of dynamical systems. We also discuss the applicability of our results to invertibility certification in transformations between neural networks (e.g. at different levels of pruning).

Automated Reachability Analysis of Neural Network-Controlled Systems via Adaptive Polytopes

Over-approximating the reachable sets of dynamical systems is a fundamental problem in safety verification and robust control synthesis. The representation of these sets is a key factor that affects the computational complexity and the approximation error. In this paper, we develop a new approach for over-approximating the reachable sets of neural network dynamical systems using adaptive template polytopes. We use the singular value decomposition of linear layers along with the shape of the activation functions to adapt the geometry of the polytopes at each time step to the geometry of the true reachable sets. We then propose a branch-and-bound method to compute accurate over-approximations of the reachable sets by the inferred templates. We illustrate the utility of the proposed approach in the reachability analysis of linear systems driven by neural network controllers.

ReachLipBnB: A branch-and-bound method for reachability analysis of neural autonomous systems using Lipschitz bounds

We propose a novel Branch-and-Bound method for reachability analysis of neural networks in both open-loop and closed-loop settings. Our idea is to first compute accurate bounds on the Lipschitz constant of the neural network in certain directions of interest offline using a convex program. We then use these bounds to obtain an instantaneous but conservative polyhedral approximation of the reachable set using Lipschitz continuity arguments. To reduce conservatism, we incorporate our bounding algorithm within a branching strategy to decrease the over-approximation error within an arbitrary accuracy. We then extend our method to reachability analysis of control systems with neural network controllers. Finally, to capture the shape of the reachable sets as accurately as possible, we use sample trajectories to inform the directions of the reachable set over-approximations using Principal Component Analysis (PCA). We evaluate the performance of the proposed method in several open-loop and closed-loop settings.

Towards Understanding The Semidefinite Relaxations of Truncated Least-Squares in Robust Rotation Search

The rotation search problem aims to find a 3D rotation that best aligns a given number of point pairs. To induce robustness against outliers for rotation search, prior work considers truncated least-squares (TLS), which is a non-convex optimization problem, and its semidefinite relaxation (SDR) as a tractable alternative. Whether this SDR is theoretically tight in the presence of noise, outliers, or both has remained largely unexplored. We derive conditions that characterize the tightness of this SDR, showing that the tightness depends on the noise level, the truncation parameters of TLS, and the outlier distribution (random or clustered). In particular, we give a short proof for the tightness in the noiseless and outlier-free case, as opposed to the lengthy analysis of prior work.