Tim Mitchell

Buyun Liang, Tim Mitchell, Ju Sun

Imposing explicit constraints is relatively new but increasingly pressing in deep learning, stimulated by, e.g., trustworthy AI that performs robust optimization over complicated perturbation sets and scientific applications that need to respect physical laws and constraints. However, it can be hard to reliably solve constrained deep learning problems without optimization expertise. The existing deep learning frameworks do not admit constraints. General-purpose optimization packages can handle constraints but do not perform auto-differentiation and have trouble dealing with nonsmoothness. In this paper, we introduce a new software package called NCVX, whose initial release contains the solver PyGRANSO, a PyTorch-enabled general-purpose optimization package for constrained machine/deep learning problems, the first of its kind. NCVX inherits auto-differentiation, GPU acceleration, and tensor variables from PyTorch, and is built on freely available and widely used open-source frameworks. NCVX is available at https://ncvx.org, with detailed documentation and numerous examples from machine/deep learning and other fields.

Peter Benner, Christian Himpe, Tim Mitchell

The identification of reduced-order models from high-dimensional data is a challenging task, and even more so if the identified system should not only be suitable for a certain data set, but generally approximate the input-output behavior of the data source. In this work, we consider the input-output dynamic mode decomposition method for system identification. We compare excitation approaches for the data-driven identification process and describe an optimization-based stabilization strategy for the identified systems.

Hengyue Liang, Buyun Liang, Le Peng et al.

Empirical robustness evaluation (RE) of deep learning models against adversarial perturbations entails solving nontrivial constrained optimization problems. Existing numerical algorithms that are commonly used to solve them in practice predominantly rely on projected gradient, and mostly handle perturbations modeled by the $\ell_1$, $\ell_2$ and $\ell_\infty$ distances. In this paper, we introduce a novel algorithmic framework that blends a general-purpose constrained-optimization solver PyGRANSO with Constraint Folding (PWCF), which can add more reliability and generality to the state-of-the-art RE packages, e.g., AutoAttack. Regarding reliability, PWCF provides solutions with stationarity measures and feasibility tests to assess the solution quality. For generality, PWCF can handle perturbation models that are typically inaccessible to the existing projected gradient methods; the main requirement is the distance metric to be almost everywhere differentiable. Taking advantage of PWCF and other existing numerical algorithms, we further explore the distinct patterns in the solutions found for solving these optimization problems using various combinations of losses, perturbation models, and optimization algorithms. We then discuss the implications of these patterns on the current robustness evaluation and adversarial training.

Hengyue Liang, Buyun Liang, Ying Cui et al.

Empirical evaluation of deep learning models against adversarial attacks entails solving nontrivial constrained optimization problems. Popular algorithms for solving these constrained problems rely on projected gradient descent (PGD) and require careful tuning of multiple hyperparameters. Moreover, PGD can only handle $\ell_1$, $\ell_2$, and $\ell_\infty$ attack models due to the use of analytical projectors. In this paper, we introduce a novel algorithmic framework that blends a general-purpose constrained-optimization solver PyGRANSO, With Constraint-Folding (PWCF), to add reliability and generality to robustness evaluation. PWCF 1) finds good-quality solutions without the need of delicate hyperparameter tuning, and 2) can handle general attack models, e.g., general $\ell_p$ ($p \geq 0$) and perceptual attacks, which are inaccessible to PGD-based algorithms.

Buyun Liang, Tim Mitchell, Ju Sun

Optimizing nonconvex (NCVX) problems, especially nonsmooth and constrained ones, is an essential part of machine learning. However, it can be hard to reliably solve such problems without optimization expertise. Existing general-purpose NCVX optimization packages are powerful but typically cannot handle nonsmoothness. GRANSO is among the first optimization solvers targeting general nonsmooth NCVX problems with nonsmooth constraints, but, as it is implemented in MATLAB and requires the user to provide analytical gradients, GRANSO is often not a convenient choice in machine learning (especially deep learning) applications. To greatly lower the technical barrier, we introduce a new software package called NCVX, whose initial release contains the solver PyGRANSO, a PyTorch-enabled port of GRANSO incorporating auto-differentiation, GPU acceleration, tensor input, and support for new QP solvers. NCVX is built on freely available and widely used open-source frameworks, and as a highlight, can solve general constrained deep learning problems, the first of its kind. NCVX is available at https://ncvx.org, with detailed documentation and numerous examples from machine learning and other fields.