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 Optimization


TD Convergence: An Optimization Perspective

Neural Information Processing Systems

We study the convergence behavior of the celebrated temporal-difference (TD) learning algorithm. By looking at the algorithm through the lens of optimization, we first argue that TD can be viewed as an iterative optimization algorithm where the function to be minimized changes per iteration. By carefully investigating the divergence displayed by TD on a classical counter example, we identify two forces that determine the convergent or divergent behavior of the algorithm. We next formalize our discovery in the linear TD setting with quadratic loss and prove that convergence of TD hinges on the interplay between these two forces. We extend this optimization perspective to prove convergence of TD in a much broader setting than just linear approximation and squared loss.


QuadAttac K : A Quadratic Programming Approach to Learning Ordered Top- K Adversarial Attacks

Neural Information Processing Systems

The adversarial vulnerability of Deep Neural Networks (DNNs) has been well-known and widely concerned, often under the context of learning top- 1 attacks (e.g., fooling a DNN to classify a cat image as dog). This paper shows that the concern is much more serious by learning significantly more aggressive ordered top- K clear-box targeted attacks proposed in \citep{zhang2020learning}. We propose a novel and rigorous quadratic programming (QP) method of learning ordered top- K attacks with low computing cost, dubbed as \textbf{QuadAttac K }. Our QuadAttac K directly solves the QP to satisfy the attack constraint in the feature embedding space (i.e., the input space to the final linear classifier), which thus exploits the semantics of the feature embedding space (i.e., the principle of class coherence). With the optimized feature embedding vector perturbation, it then computes the adversarial perturbation in the data space via the vanilla one-step back-propagation. In experiments, the proposed QuadAttac K is tested in the ImageNet-1k classification using ResNet-50, DenseNet-121, and Vision Transformers (ViT-B and DEiT-S).


Revisiting Scalarization in Multi-Task Learning: A Theoretical Perspective

Neural Information Processing Systems

Linear scalarization, i.e., combining all loss functions by a weighted sum, has been the default choice in the literature of multi-task learning (MTL) since its inception. In recent years, there is a surge of interest in developing Specialized Multi-Task Optimizers (SMTOs) that treat MTL as a multi-objective optimization problem. However, it remains open whether there is a fundamental advantage of SMTOs over scalarization. In fact, heated debates exist in the community comparing these two types of algorithms, mostly from an empirical perspective. To approach the above question, in this paper, we revisit scalarization from a theoretical perspective.


DRAUC: An Instance-wise Distributionally Robust AUC Optimization Framework

Neural Information Processing Systems

The Area Under the ROC Curve (AUC) is a widely employed metric in long-tailed classification scenarios. Nevertheless, most existing methods primarily assume that training and testing examples are drawn i.i.d. Distributionally Robust Optimization (DRO) enhances model performance by optimizing it for the local worst-case scenario, but directly integrating AUC optimization with DRO results in an intractable optimization problem. To tackle this challenge, methodically we propose an instance-wise surrogate loss of Distributionally Robust AUC (DRAUC) and build our optimization framework on top of it. Moreover, we highlight that conventional DRAUC may induce label bias, hence introducing distribution-aware DRAUC as a more suitable metric for robust AUC learning.


DeepACO: Neural-enhanced Ant Systems for Combinatorial Optimization

Neural Information Processing Systems

Ant Colony Optimization (ACO) is a meta-heuristic algorithm that has been successfully applied to various Combinatorial Optimization Problems (COPs). Traditionally, customizing ACO for a specific problem requires the expert design of knowledge-driven heuristics. In this paper, we propose DeepACO, a generic framework that leverages deep reinforcement learning to automate heuristic designs. DeepACO serves to strengthen the heuristic measures of existing ACO algorithms and dispense with laborious manual design in future ACO applications. As a neural-enhanced meta-heuristic, DeepACO consistently outperforms its ACO counterparts on eight COPs using a single neural model and a single set of hyperparameters.


A Domain-Shrinking based Bayesian Optimization Algorithm with Order-Optimal Regret Performance

Neural Information Processing Systems

We consider sequential optimization of an unknown function in a reproducing kernel Hilbert space. We propose a Gaussian process-based algorithm and establish its order-optimal regret performance (up to a poly-logarithmic factor). This is the first GP-based algorithm with an order-optimal regret guarantee. The proposed algorithm is rooted in the methodology of domain shrinking realized through a sequence of tree-based region pruning and refining to concentrate queries in increasingly smaller high-performing regions of the function domain. The search for high-performing regions is localized and guided by an iterative estimation of the optimal function value to ensure both learning efficiency and computational efficiency.


"Why Not Looking backward?" A Robust Two-Step Method to Automatically Terminate Bayesian Optimization

Neural Information Processing Systems

Bayesian Optimization (BO) is a powerful method for tackling expensive black-box optimization problems. As a sequential model-based optimization strategy, BO iteratively explores promising solutions until a predetermined budget, either iterations or time, is exhausted. The decision on when to terminate BO significantly influences both the quality of solutions and its computational efficiency. In this paper, we propose a simple, yet theoretically grounded, two-step method for automatically terminating BO. Our core concept is to proactively identify if the search is within a convex region by examining previously observed samples.


No-regret Online Learning over Riemannian Manifolds

Neural Information Processing Systems

We consider online optimization over Riemannian manifolds, where a learner attempts to minimize a sequence of time-varying loss functions defined on Riemannian manifolds. Though many Euclidean online convex optimization algorithms have been proven useful in a wide range of areas, less attention has been paid to their Riemannian counterparts. In this paper, we study Riemannian online gradient descent (R-OGD) on Hadamard manifolds for both geodesically convex and strongly geodesically convex loss functions, and Riemannian bandit algorithm (R-BAN) on Hadamard homogeneous manifolds for geodesically convex functions. We establish upper bounds on the regrets of the problem with respect to time horizon, manifold curvature, and manifold dimension. We also find a universal lower bound for the achievable regret by constructing an online convex optimization problem on Hadamard manifolds.


Learning Interpretable Decision Rule Sets: A Submodular Optimization Approach

Neural Information Processing Systems

Rule sets are highly interpretable logical models in which the predicates for decision are expressed in disjunctive normal form (DNF, OR-of-ANDs), or, equivalently, the overall model comprises an unordered collection of if-then decision rules. In this paper, we consider a submodular optimization based approach for learning rule sets. The learning problem is framed as a subset selection task in which a subset of all possible rules needs to be selected to form an accurate and interpretable rule set. We employ an objective function that exhibits submodularity and thus is amenable to submodular optimization techniques. To overcome the difficulty arose from dealing with the exponential-sized ground set of rules, the subproblem of searching a rule is casted as another subset selection task that asks for a subset of features.


Maximum Independent Set: Self-Training through Dynamic Programming

Neural Information Processing Systems

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly constructs two smaller sub-graphs, predicts the one with the larger MIS, and then uses it in the next recursive call. To train our algorithm, we require annotated comparisons of different graphs concerning their MIS size. Annotating the comparisons with the output of our algorithm leads to a self-training process that results in more accurate self-annotation of the comparisons and vice versa. We provide numerical evidence showing the superiority of our method vs prior methods in multiple synthetic and real-world datasets.