Unsupervised learning (UL)-based solvers for combinatorial optimization (CO) train a neural network that generates a soft solution by directly optimizing the CO objective using a continuous relaxation strategy. These solvers offer several advantages over traditional methods and other learning-based methods, particularly for large-scale CO problems. However, UL-based solvers face two practical issues: (I) an optimization issue, where UL-based solvers are easily trapped at local optima, and (II) a rounding issue, where UL-based solvers require artificial post-learning rounding from the continuous space back to the original discrete space, undermining the robustness of the results. This study proposes a Continuous Relaxation Annealing (CRA) strategy, an effective rounding-free learning method for UL-based solvers. CRA introduces a penalty term that dynamically shifts from prioritizing continuous solutions, effectively smoothing the non-convexity of the objective function, to enforcing discreteness, eliminating artificial rounding. Experimental results demonstrate that CRA significantly enhances the performance of UL-based solvers, outperforming existing UL-based solvers and greedy algorithms in complex CO problems. Additionally, CRA effectively eliminates artificial rounding and accelerates the learning process.

The distance from calibration, introduced by Błasiok, Gopalan, Hu, and Nakkiran (STOC 2023), has recently emerged as a central measure of miscalibration for probabilistic predictors. We study the fundamental problems of computing and estimating this quantity, given either an exact description of the data distribution or only sample access to it. We give an efficient algorithm that exactly computes the calibration distance when the distribution has a uniform marginal and noiseless labels, which improves the $O(1/\sqrt{|\mathcal{X}|})$ additive approximation of Qiao and Zheng (COLT 2024) for this special case. Perhaps surprisingly, the problem becomes $\mathsf{NP}$-hard when either of the two assumptions is removed. We extend our algorithm to a polynomial-time approximation scheme for the general case. For the estimation problem, we show that $Θ(1/ε^3)$ samples are sufficient and necessary for the empirical calibration distance to be upper bounded by the true distance plus $ε$. In contrast, a polynomial dependence on the domain size -- incurred by the learning-based baseline -- is unavoidable for two-sided estimation. Our positive results are based on simple sparsifications of both the distribution and the target predictor, which significantly reduce the search space for computation and lead to stronger concentration for the estimation problem. To prove the hardness results, we introduce new techniques for certifying lower bounds on the calibration distance -- a problem that is hard in general due to its $\textsf{co-NP}$-completeness.

We present a new algorithmic approach for the task of finding a chordal Markov network structure that maximizes a given scoring function. The algorithm is based on branch and bound and integrates dynamic programming for both domain pruning and for obtaining strong bounds for search-space pruning. Empirically, we show that the approach dominates in terms of running times a recent integer programming approach (and thereby also a recent constraint optimization approach) for the problem.

Recent advances in bandit tools and techniques for sequential learning are steadily enabling new applications and are promising the resolution of a range of challenging related problems. We study the game tree search problem, where the goal is to quickly identify the optimal move in a given game tree by sequentially sampling its stochastic payoffs. We develop new algorithms for trees of arbitrary depth, that operate by summarizing all deeper levels of the tree into confidence intervals at depth one, and applying a best arm identification procedure at the root. We prove new sample complexity guarantees with a refined dependence on the problem instance. We show experimentally that our algorithms outperform existing elimination-based algorithms and match previous special-purpose methods for depth-two trees.

Non-convex optimization with local search heuristics has been widely used in machine learning, achieving many state-of-art results. It becomes increasingly important to understand why they can work for these NP-hard problems on typical data. The landscape of many objective functions in learning has been conjectured to have the geometric property that ``all local optima are (approximately) global optima'', and thus they can be solved efficiently by local search algorithms. However, establishing such property can be very difficult. In this paper, we analyze the optimization landscape of the random over-complete tensor decomposition problem, which has many applications in unsupervised leaning, especially in learning latent variable models.

The inverse covariance matrix provides considerable insight for understanding statistical models in the multivariate setting. In particular, when the distribution over variables is assumed to be multivariate normal, the sparsity pattern in the inverse covariance matrix, commonly referred to as the precision matrix, corresponds to the adjacency matrix representation of the Gauss-Markov graph, which encodes conditional independence statements between variables. Minimax results under the spectral norm have previously been established for covariance matrices, both sparse and banded, and for sparse precision matrices. We establish minimax estimation bounds for estimating banded precision matrices under the spectral norm. Our results greatly improve upon the existing bounds; in particular, we find that the minimax rate for estimating banded precision matrices matches that of estimating banded covariance matrices. The key insight in our analysis is that we are able to obtain barely-noisy estimates of $k \times k$ subblocks of the precision matrix by inverting slightly wider blocks of the empirical covariance matrix along the diagonal. Our theoretical results are complemented by experiments demonstrating the sharpness of our bounds.

Guided policy search algorithms can be used to optimize complex nonlinear policies, such as deep neural networks, without directly computing policy gradients in the high-dimensional parameter space. Instead, these methods use supervised learning to train the policy to mimic a "teacher" algorithm, such as a trajectory optimizer or a trajectory-centric reinforcement learning method. Guided policy search methods provide asymptotic local convergence guarantees by construction, but it is not clear how much the policy improves within a small, finite number of iterations. We show that guided policy search algorithms can be interpreted as an approximate variant of mirror descent, where the projection onto the constraint manifold is not exact. We derive a new guided policy search algorithm that is simpler and provides appealing improvement and convergence guarantees in simplified convex and linear settings, and show that in the more general nonlinear setting, the error in the projection step can be bounded. We provide empirical results on several simulated robotic manipulation tasks that show that our method is stable and achieves similar or better performance when compared to prior guided policy search methods, with a simpler formulation and fewer hyperparameters.

Given a task of predicting Y from X, a loss function L, and a set of probability distributions Gamma on (X,Y), what is the optimal decision rule minimizing the worst-case expected loss over Gamma? In this paper, we address this question by introducing a generalization of the maximum entropy principle. Applying this principle to sets of distributions with marginal on X constrained to be the empirical marginal, we provide a minimax interpretation of the maximum likelihood problem over generalized linear models as well as some popular regularization schemes. For quadratic and logarithmic loss functions we revisit well-known linear and logistic regression models. Moreover, for the 0-1 loss we derive a classifier which we call the minimax SVM. The minimax SVM minimizes the worst-case expected 0-1 loss over the proposed Gamma by solving a tractable optimization problem. We perform several numerical experiments to show the power of the minimax SVM in outperforming the SVM.

Your Out-of-Distribution Detection Method is Not Robust!

Learning the minimum/maximum mean among a finite set of distributions is a fundamental sub-problem in planning, game tree search and reinforcement learning. We formalize this learning task as the problem of sequentially testing how the minimum mean among a finite set of distributions compares to a given threshold. We develop refined non-asymptotic lower bounds, which show that optimality mandates very different sampling behavior for a low vs high true minimum. We show that Thompson Sampling and the intuitive Lower Confidence Bounds policy each nail only one of these cases. We develop a novel approach that we call Murphy Sampling. Even though it entertains exclusively low true minima, we prove that MS is optimal for both possibilities. We then design advanced self-normalized deviation inequalities, fueling more aggressive stopping rules. We complement our theoretical guarantees by experiments showing that MS works best in practice.