We demonstrate on real-world examples that these shape constrained models can provide tuning-free regularization and improve model understandability.

We give the first polynomial time algorithms for escaping from high-dimensional saddle points under a moderate number of constraints. Given gradient access to a smooth function $f \colon \mathbb R^d \to \mathbb R$ we show that (noisy) gradient descent methods can escape from saddle points under a logarithmic number of inequality constraints. This constitutes the first tangible progress (without reliance on NP-oracles or altering the definitions to only account for certain constraints) on the main open question of the breakthrough work of Ge et al. who showed an analogous result for unconstrained and equality-constrained problems. Our results hold for both regular and stochastic gradient descent.

We propose a method to impose linear inequality constraints on neural network activations. The proposed method allows a data-driven training approach to be combined with modeling prior knowledge about the task. Our algorithm computes a suitable parameterization of the feasible set at initialization and uses standard variants of stochastic gradient descent to find solutions to the constrained network. Thus, the modeling constraints are always satisfied during training. Crucially, our approach avoids to solve a sub-optimization problem at each training step or to manually trade-off data and constraint fidelity with additional hyperparameters. We consider constrained generative modeling as an important application domain and experimentally demonstrate the proposed method by constraining a variational autoencoder.

Due to the truncated Gaussianity of the posterior, its distribution has to be approximated. In this work, we consider Monte Carlo (MC) and Markov chain Monte Carlo (MCMC). However, strictly interpolating the observations may entail expensive computations due to highly restrictive sample spaces. Having (constrained) GP emulators when data are actually noisy is also of interest. We introduce a noise term for the relaxation of the interpolation conditions, and we develop the corresponding approximation of GP emulators under linear inequality constraints. We show with various toy examples that the performance of MC and MCMC samplers improves when considering noisy observations. Finally, on a 5D monotonic example, we show that our framework still provides high effective sample rates with reasonable running times.

We investigate machine learning models that can provide diminishing returns and accelerating returns guarantees to capture prior knowledge or policies about how outputs should depend on inputs. We show that one can build flexible, nonlinear, multi-dimensional models using lattice functions with any combination of concavity/convexity and monotonicity constraints on any subsets of features, and compare to new shape-constrained neural networks. We demonstrate on real-world examples that these shape constrained models can provide tuning-free regularization and improve model understandability.

We investigate machine learning models that can provide diminishing returns and accelerating returns guarantees to capture prior knowledge or policies about how outputs should depend on inputs. We show that one can build flexible, nonlinear, multi-dimensional models using lattice functions with any combination of concavity/convexity and monotonicity constraints on any subsets of features, and compare to new shape-constrained neural networks. We demonstrate on real-world examples that these shape constrained models can provide tuning-free regularization and improve model understandability.