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 Optimization


Faster proximal algorithms for matrix optimization using Jacobi-based eigenvalue methods

Neural Information Processing Systems

We consider proximal splitting algorithms for convex optimization problems over matrices. A significant computational bottleneck in many of these algorithms is the need to compute a full eigenvalue or singular value decomposition at each iteration for the evaluation of a proximal operator.In this paper we propose to use an old and surprisingly simple method due to Jacobi to compute these eigenvalue and singular value decompositions, and we demonstrate that it can lead to substantial gains in terms of computation time compared to standard approaches. We rely on three essential properties of this method: (a) its ability to exploit an approximate decomposition as an initial point, which in the case of iterative optimization algorithms can be obtained from the previous iterate; (b) its parallel nature which makes it a great fit for hardware accelerators such as GPUs, now common in machine learning, and (c) its simple termination criterion which allows us to trade-off accuracy with computation time. We demonstrate the efficacy of this approach on a variety of algorithms and problems, and show that, on a GPU, we can obtain 5 to 10x speed-ups in the evaluation of proximal operators compared to standard CPU or GPU linear algebra routines. Our findings are supported by new theoretical results providing guarantees on the approximation quality of proximal operators obtained using approximate eigenvalue or singular value decompositions.


Computing Valid p-value for Optimal Changepoint by Selective Inference using Dynamic Programming

Neural Information Processing Systems

Although there is a vast body of literature related to methods for detecting change-points (CPs), less attention has been paid to assessing the statistical reliability of the detected CPs. In this paper, we introduce a novel method to perform statistical inference on the significance of the CPs, estimated by a Dynamic Programming (DP)-based optimal CP detection algorithm. Our main idea is to employ a Selective Inference (SI) approach---a new statistical inference framework that has recently received a lot of attention---to compute exact (non-asymptotic) valid p-values for the detected optimal CPs. Although it is well-known that SI has low statistical power because of over-conditioning, we address this drawback by introducing a novel method called parametric DP, which enables SI to be conducted with the minimum amount of conditioning, leading to high statistical power. We conduct experiments on both synthetic and real-world datasets, through which we offer evidence that our proposed method is more powerful than existing methods, has decent performance in terms of computational efficiency, and provides good results in many practical applications.


A Scalable Deterministic Global Optimization Algorithm for Training Optimal Decision Tree

Neural Information Processing Systems

The training of optimal decision tree via mixed-integer programming (MIP) has attracted much attention in recent literature. However, for large datasets, state-of-the-art approaches struggle to solve the optimal decision tree training problems to a provable global optimal solution within a reasonable time. In this paper, we reformulate the optimal decision tree training problem as a two-stage optimization problem and propose a tailored reduced-space branch and bound algorithm to train optimal decision tree for the classification tasks with continuous features. The computation of bounds can be decomposed into the solution of many small-scale subproblems and can be naturally parallelized. With these bounding methods, we prove that our algorithm can converge by branching only on variables representing the optimal decision tree structure, which is invariant to the size of datasets. Moreover, we propose a novel sample reduction method that can predetermine the cost of part of samples at each BB node.


DAGMA: Learning DAGs via M-matrices and a Log-Determinant Acyclicity Characterization

Neural Information Processing Systems

The combinatorial problem of learning directed acyclic graphs (DAGs) from data was recently framed as a purely continuous optimization problem by leveraging a differentiable acyclicity characterization of DAGs based on the trace of a matrix exponential function. Existing acyclicity characterizations are based on the idea that powers of an adjacency matrix contain information about walks and cycles. In this work, we propose a new acyclicity characterization based on the log-determinant (log-det) function, which leverages the nilpotency property of DAGs. To deal with the inherent asymmetries of a DAG, we relate the domain of our log-det characterization to the set of \textit{M-matrices}, which is a key difference to the classical log-det function defined over the cone of positive definite matrices.Similar to acyclicity functions previously proposed, our characterization is also exact and differentiable. However, when compared to existing characterizations, our log-det function: (1) Is better at detecting large cycles; (2) Has better-behaved gradients; and (3) Its runtime is in practice about an order of magnitude faster.


Efficient Projection-free Algorithms for Saddle Point Problems

Neural Information Processing Systems

The Frank-Wolfe algorithm is a classic method for constrained optimization problems. It has recently been popular in many machine learning applications because its projection-free property leads to more efficient iterations. In this paper, we study projection-free algorithms for convex-strongly-concave saddle point problems with complicated constraints. Our method combines Conditional Gradient Sliding with Mirror-Prox and show that it only requires \tilde{\cO}(1/\sqrt{\epsilon}) gradient evaluations and \tilde{\cO}(1/\epsilon 2) linear optimizations in the batch setting. We also extend our method to the stochastic setting and propose first stochastic projection-free algorithms for saddle point problems. Experimental results demonstrate the effectiveness of our algorithms and verify our theoretical guarantees.


Continuous-time Models for Stochastic Optimization Algorithms

Neural Information Processing Systems

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.


Trading Off Resource Budgets For Improved Regret Bounds

Neural Information Processing Systems

In this work we consider a variant of adversarial online learning where in each round one picks B out of N arms and incurs cost equal to the \textit{minimum} of the costs of each arm chosen. We propose an algorithm called Follow the Perturbed Multiple Leaders (FPML) for this problem, which we show (by adapting the techniques of Kalai and Vempala [2005]) achieves expected regret \mathcal{O}(T {\frac{1}{B 1}}\ln(N) {\frac{B}{B 1}}) over time horizon T relative to the \textit{single} best arm in hindsight. This introduces a trade-off between the budget B and the single-best-arm regret, and we proceed to investigate several applications of this trade-off. First, we observe that algorithms which use standard regret minimizers as subroutines can sometimes be adapted by replacing these subroutines with FPML, and we use this to generalize existing algorithms for Online Submodular Function Maximization [Streeter and Golovin, 2008] in both the full feedback and semi-bandit feedback settings. Next, we empirically evaluate our new algorithms on an online black-box hyperparameter optimization problem.


Horospherical Decision Boundaries for Large Margin Classification in Hyperbolic Space

Neural Information Processing Systems

Hyperbolic spaces have been quite popular in the recent past for representing hierarchically organized data. Further, several classification algorithms for data in these spaces have been proposed in the literature. These algorithms mainly use either hyperplanes or geodesics for decision boundaries in a large margin classifiers setting leading to a non-convex optimization problem. In this paper, we propose a novel large margin classifier based on horospherical decision boundaries that leads to a geodesically convex optimization problem that can be optimized using any Riemannian gradient descent technique guaranteeing a globally optimal solution.


Leveraging Inter-Layer Dependency for Post -Training Quantization

Neural Information Processing Systems

Prior works on Post-training Quantization (PTQ) typically separate a neural network into sub-nets and quantize them sequentially. This process pays little attention to the dependency across the sub-nets, hence is less optimal. In this paper, we propose a novel Network-Wise Quantization (NWQ) approach to fully leveraging inter-layer dependency. NWQ faces a larger scale combinatorial optimization problem of discrete variables than in previous works, which raises two major challenges: over-fitting and discrete optimization problem. NWQ alleviates over-fitting via a Activation Regularization (AR) technique, which better controls the activation distribution.


End to end learning and optimization on graphs

Neural Information Processing Systems

Real-world applications often combine learning and optimization problems on graphs. For instance, our objective may be to cluster the graph in order to detect meaningful communities (or solve other common graph optimization problems such as facility location, maxcut, and so on). However, graphs or related attributes are often only partially observed, introducing learning problems such as link prediction which must be solved prior to optimization. Standard approaches treat learning and optimization entirely separately, while recent machine learning work aims to predict the optimal solution directly from the inputs. Here, we propose an alternative decision-focused learning approach that integrates a differentiable proxy for common graph optimization problems as a layer in learned systems. The main idea is to learn a representation that maps the original optimization problem onto a simpler proxy problem that can be efficiently differentiated through.