Bilevel optimization has arisen as a powerful tool for many machine learning problems such as meta-learning, hyper-parameter optimization, reinforcement learning, etc. In this paper, we investigate the nonconvex-strongly-convex bilevel optimization problem, and propose two novel algorithms named deterBiO and stocBiO respectively for the deterministic and stochastic settings. At the core design of deterBiO is the construction of a low-cost and easy-to-implement hyper-gradient estimator via a simple back-propagation. In addition, stocBiO updates with the mini-batch data sampling rather than the existing single-sample schemes, where a sample-efficient Hessian inverse estimator is proposed. We provide the finite-time convergence guarantee for both algorithms, and show that they outperform the best known computational complexities orderwisely with respect to the condition number $\kappa$ and/or the target accuracy $\epsilon$. We further demonstrate the superior efficiency of the proposed algorithms by the experiments on meta-learning and hyper-parameter optimization.

We study contextual stochastic optimization problems, where we leverage rich auxiliary observations (e.g., product characteristics) to improve decision making with uncertain variables (e.g., demand). We show how to train forest decision policies for this problem by growing trees that choose splits to directly optimize the downstream decision quality, rather than splitting to improve prediction accuracy as in the standard random forest algorithm. We realize this seemingly computationally intractable problem by developing approximate splitting criteria that utilize optimization perturbation analysis to eschew burdensome re-optimization for every candidate split, so that our method scales to large-scale problems. We prove that our splitting criteria consistently approximate the true risk and that our method achieves asymptotic optimality. We extensively validate our method empirically, demonstrating the value of optimization-aware construction of forests and the success of our efficient approximations. We show that our approximate splitting criteria can reduce running time hundredfold, while achieving performance close to forest algorithms that exactly re-optimize for every candidate split.

Methods to certify the robustness of neural networks in the presence of input uncertainty are vital in safety-critical settings. Most certification methods in the literature are designed for adversarial input uncertainty, but researchers have recently shown a need for methods that consider random uncertainty. In this paper, we propose a novel robustness certification method that upper bounds the probability of misclassification when the input noise follows an arbitrary probability distribution. This bound is cast as a chance-constrained optimization problem, which is then reformulated using input-output samples to replace the optimization constraints. The resulting optimization reduces to a linear program with an analytical solution. Furthermore, we develop a sufficient condition on the number of samples needed to make the misclassification bound hold with overwhelming probability. Our case studies on MNIST classifiers show that this method is able to certify a uniform infinity-norm uncertainty region with a radius of nearly 50 times larger than what the current state-of-the-art method can certify.

In this paper, we aim to address the problem of solving a non-convex optimization problem over an intersection of multiple variable sets. This kind of problems is typically solved by using an alternating minimization (AM) strategy which splits the overall problem into a set of sub-problems corresponding to each variable, and then iteratively performs minimization over each sub-problem using a fixed updating rule. However, due to the intrinsic non-convexity of the overall problem, the optimization can usually be trapped into bad local minimum even when each sub-problem can be globally optimized at each iteration. To tackle this problem, we propose a meta-learning based Global Scope Optimization (GSO) method. It adaptively generates optimizers for sub-problems via meta-learners and constantly updates these meta-learners with respect to the global loss information of the overall problem. Therefore, the sub-problems are optimized with the objective of minimizing the global loss specifically. We evaluate the proposed model on a number of simulations, including solving bi-linear inverse problems: matrix completion, and non-linear problems: Gaussian mixture models. The experimental results show that our proposed approach outperforms AM-based methods in standard settings, and is able to achieve effective optimization in some challenging cases while other methods would typically fail.

Inferring the causal direction and causal effect between two discrete random variables X and Y from a finite sample is often a crucial problem and a challenging task. However, if we have access to observational and interventional data, it is possible to solve that task. If X is causing Y, then it does not matter if we observe an effect in Y by observing changes in X or by intervening actively on X. This invariance principle creates a link between observational and interventional distributions in a higher dimensional probability space. We embed distributions that originate from samples of X and Y into that higher dimensional space such that the embedded distribution is closest to the distributions that follow the invariance principle, with respect to the relative entropy. This allows us to calculate the best information-theoretic approximation for a given empirical distribution, that follows an assumed underlying causal model. We show that this information-theoretic approximation to causal models (IACM) can be done by solving a linear optimization problem. In particular, by approximating the empirical distribution to a monotonic causal model, we can calculate probabilities of causation. We can also use IACM for causal discovery problems in the bivariate, discrete case. However, experimental results on labeled synthetic data from additive noise models show that our causal discovery approach is lagging behind state-of-the-art approaches because the invariance principle encodes only a necessary condition for causal relations. Nevertheless, for synthetic multiplicative noise data and real-world data, our approach can compete in some cases with alternative methods.

The past few years have marked the breakthrough in the advancement of technology with the evolution of artificial intelligence that is rapidly gaining the attention of the research around the globe. Fremont, CA: Designing a model that will mimic the human brain and function similarly has solved the scientific community's biggest puzzle. The constant and rigorous efforts of researchers from various years lead to the evolution of Artificial intelligence. In the past seven decades, AI and its applications were considered both a boon and a curse. In this period, many times, the technology does not meet the expectations.

The data drawn from biological, economic, and social systems are often confounded due to the presence of unmeasured variables. Prior work in causal discovery has focused on discrete search procedures for selecting acyclic directed mixed graphs (ADMGs), specifically ancestral ADMGs, that encode ordinary conditional independence constraints among the observed variables of the system. However, confounded systems also exhibit more general equality restrictions that cannot be represented via these graphs, placing a limit on the kinds of structures that can be learned using ancestral ADMGs. In this work, we derive differentiable algebraic constraints that fully characterize the space of ancestral ADMGs, as well as more general classes of ADMGs, arid ADMGs and bow-free ADMGs, that capture all equality restrictions on the observed variables. We use these constraints to cast causal discovery as a continuous optimization problem and design differentiable procedures to find the best fitting ADMG when the data comes from a confounded linear system of equations with correlated errors. We demonstrate the efficacy of our method through simulations and application to a protein expression dataset.

Stochastic kriging has been widely employed for simulation metamodeling to predict the response surface of a complex simulation model. However, its use is limited to cases where the design space is low-dimensional, because the number of design points required for stochastic kriging to produce accurate prediction, in general, grows exponentially in the dimension of the design space. The large sample size results in both a prohibitive sample cost for running the simulation model and a severe computational challenge due to the need of inverting large covariance matrices. Based on tensor Markov kernels and sparse grid experimental designs, we develop a novel methodology that dramatically alleviates the curse of dimensionality. We show that the sample complexity of the proposed methodology grows very mildly in the dimension, even under model misspecification. We also develop fast algorithms that compute stochastic kriging in its exact form without any approximation schemes. We demonstrate via extensive numerical experiments that our methodology can handle problems with a design space of hundreds of dimensions, improving both prediction accuracy and computational efficiency by orders of magnitude relative to typical alternative methods in practice.

Projection robust Wasserstein (PRW) distance, or Wasserstein projection pursuit (WPP), is a robust variant of the Wasserstein distance. Recent work suggests that this quantity is more robust than the standard Wasserstein distance, in particular when comparing probability measures in high-dimensions. However, it is ruled out for practical application because the optimization model is essentially non-convex and non-smooth which makes the computation intractable. Our contribution in this paper is to revisit the original motivation behind WPP/PRW, but take the hard route of showing that, despite its non-convexity and lack of nonsmoothness, and even despite some hardness results proved by~\citet{Niles-2019-Estimation} in a minimax sense, the original formulation for PRW/WPP \textit{can} be efficiently computed in practice using Riemannian optimization, yielding in relevant cases better behavior than its convex relaxation. More specifically, we provide three simple algorithms with solid theoretical guarantee on their complexity bound (one in the appendix), and demonstrate their effectiveness and efficiency by conducing extensive experiments on synthetic and real data. This paper provides a first step into a computational theory of the PRW distance and provides the links between optimal transport and Riemannian optimization.

A multi-task learning (MTL) system aims at solving multiple related tasks at the same time. With a fixed model capacity, the tasks would be conflicted with each other, and the system usually has to make a trade-off among learning all of them together. Multiple models with different preferences over tasks have to be trained and stored for many real-world applications where the trade-off has to be made online. This work proposes a novel controllable Pareto multi-task learning framework, to enable the system to make real-time trade-off switch among different tasks with a single model. To be specific, we formulate the MTL as a preference-conditioned multiobjective optimization problem, for which there is a parametric mapping from the preferences to the optimal Pareto solutions. A single hypernetwork-based multi-task neural network is built to learn all tasks with different trade-off preferences among them, where the hypernetwork generates the model parameters conditioned on the preference. At the inference time, MTL practitioners can easily control the model performance based on different trade-off preferences in real-time. Experiments on different applications demonstrate that the proposed model is efficient for solving various multi-task learning problems.