In the architecture and construction industries, structural design for large buildings has always been laborious, time-consuming, and difficult to optimize. It is an iterative process that involves two steps: analyzing the current structural design by a slow and computationally expensive simulation, and then manually revising the design based on professional experience and rules. In this work, we propose an end-to-end learning pipeline to solve the size design optimization problem, which is to design the optimal cross-sections for columns and beams, given the design objectives and building code as constraints. We pre-train a graph neural network as a surrogate model to not only replace the structural simulation for speed but also use its differentiable nature to provide gradient signals to the other graph neural network for size optimization. Our results show that the pre-trained surrogate model can predict simulation results accurately, and the trained optimization model demonstrates the capability of designing convincing cross-section designs for buildings under various scenarios.

Reward Machines (RMs), originally proposed for specifying problems in Reinforcement Learning (RL), provide a structured, automata-based representation of a reward function that allows an agent to decompose problems into subproblems that can be efficiently learned using off-policy learning. Here we show that RMs can be learned from experience, instead of being specified by the user, and that the resulting problem decomposition can be used to effectively solve partially observable RL problems. We pose the task of learning RMs as a discrete optimization problem where the objective is to find an RM that decomposes the problem into a set of subproblems such that the combination of their optimal memoryless policies is an optimal policy for the original problem. We show the effectiveness of this approach on three partially observable domains, where it significantly outperforms A3C, PPO, and ACER, and discuss its advantages, limitations, and broader potential. Papers published at the Neural Information Processing Systems Conference.

Stochastic Gradient Boosting (SGB) is a widely used approach to regularization of boosting models based on decision trees. It was shown that, in many cases, random sampling at each iteration can lead to better generalization performance of the model and can also decrease the learning time. Different sampling approaches were proposed, where probabilities are not uniform, and it is not currently clear which approach is the most effective. In this paper, we formulate the problem of randomization in SGB in terms of optimization of sampling probabilities to maximize the estimation accuracy of split scoring used to train decision trees.This optimization problem has a closed-form nearly optimal solution, and it leads to a new sampling technique, which we call Minimal Variance Sampling (MVS).The method both decreases the number of examples needed for each iteration of boosting and increases the quality of the model significantly as compared to the state-of-the art sampling methods. The superiority of the algorithm was confirmed by introducing MVS as a new default option for subsampling in CatBoost, a gradient boosting library achieving state-of-the-art quality on various machine learning tasks. Papers published at the Neural Information Processing Systems Conference.

Learning to optimize has emerged as a powerful framework for various optimization and machine learning tasks. Current such "meta-optimizers" often learn in the space of continuous optimization algorithms that are point-based and uncertainty-unaware. To overcome the limitations, we propose a meta-optimizer that learns in the algorithmic space of both point-based and population-based optimization algorithms. Specifically, we learn and interpret the update formula through a population of LSTMs embedded with sample- and feature-level attentions. Meanwhile, we estimate the posterior directly over the global optimum and use an uncertainty measure to help guide the learning process. Empirical results over non-convex test functions and the protein-docking application demonstrate that this new meta-optimizer outperforms existing competitors.

Linear regression in L_p-norm is a canonical optimization problem that arises in several applications, including sparse recovery, semi-supervised learning, and signal processing. Generic convex optimization algorithms for solving L_p-regression are slow in practice. Iteratively Reweighted Least Squares (IRLS) is an easy to implement family of algorithms for solving these problems that has been studied for over 50 years. However, these algorithms often diverge for p 3, and since the work of Osborne (1985), it has been an open problem whether there is an IRLS algorithm that converges for p 3. We propose p-IRLS, the first IRLS algorithm that provably converges geometrically for any p \in [2,\infty). Our algorithm is simple to implement and is guaranteed to find a high accuracy solution in a sub-linear number of iterations. Our experiments demonstrate that it performs even better than our theoretical bounds, beats the standard Matlab/CVX implementation for solving these problems by 10–50x, and is the fastest among available implementations in the high-accuracy regime.

We propose a practical inexact augmented Lagrangian method (iALM) for nonconvex problems with nonlinear constraints. We characterize the total computational complexity of our method subject to a verifiable geometric condition, which is closely related to the Polyak-Lojasiewicz and Mangasarian-Fromowitz conditions. In particular, when a first-order solver is used for the inner iterates, we prove that iALM finds a first-order stationary point with $\tilde{\mathcal{O}}(1/\epsilon 3)$ calls to the first-order oracle. These complexity results match the known theoretical results in the literature. We also provide strong numerical evidence on large-scale machine learning problems, including the Burer-Monteiro factorization of semidefinite programs, and a novel nonconvex relaxation of the standard basis pursuit template.

Ordinary differential equation (ODE) models of gradient-based optimization methods can provide insights into the dynamics of learning and inspire the design of new algorithms. Unfortunately, this thought-provoking perspective is weakened by the fact that, in the worst case, the error between the algorithm steps and its ODE approximation grows exponentially with the number of iterations. In an attempt to encourage the use of continuous-time methods in optimization, we show that, if some additional regularity on the objective is assumed, the ODE representations of Gradient Descent and Heavy-ball do not suffer from the aforementioned problem, once we allow for a small perturbation on the algorithm initial condition. In the dynamical systems literature, this phenomenon is called shadowing. Our analysis relies on the concept of hyperbolicity, as well as on tools from numerical analysis.

We propose new continuous-time formulations for first-order stochastic optimization algorithms such as mini-batch gradient descent and variance-reduced methods. We exploit these continuous-time models, together with simple Lyapunov analysis as well as tools from stochastic calculus, in order to derive convergence bounds for various types of non-convex functions. Guided by such analysis, we show that the same Lyapunov arguments hold in discrete-time, leading to matching rates. In addition, we use these models and Ito calculus to infer novel insights on the dynamics of SGD, proving that a decreasing learning rate acts as time warping or, equivalently, as landscape stretching. Papers published at the Neural Information Processing Systems Conference.

In this paper, we introduce various mechanisms to obtain accelerated first-order stochastic optimization algorithms when the objective function is convex or strongly convex. Specifically, we extend the Catalyst approach originally designed for deterministic objectives to the stochastic setting. Given an optimization method with mild convergence guarantees for strongly convex problems, the challenge is to accelerate convergence to a noise-dominated region, and then achieve convergence with an optimal worst-case complexity depending on the noise variance of the gradients. A side contribution of our work is also a generic analysis that can handle inexact proximal operators, providing new insights about the robustness of stochastic algorithms when the proximal operator cannot be exactly computed. Papers published at the Neural Information Processing Systems Conference.

Multi-task learning is a powerful method for solving multiple correlated tasks simultaneously. However, it is often impossible to find one single solution to optimize all the tasks, since different tasks might conflict with each other. Recently, a novel method is proposed to find one single Pareto optimal solution with good trade-off among different tasks by casting multi-task learning as multiobjective optimization. In this paper, we generalize this idea and propose a novel Pareto multi-task learning algorithm (Pareto MTL) to find a set of well-distributed Pareto solutions which can represent different trade-offs among different tasks. The proposed algorithm first formulates a multi-task learning problem as a multiobjective optimization problem, and then decomposes the multiobjective optimization problem into a set of constrained subproblems with different trade-off preferences.