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Bayesian optimization (BO) is a widely popular approach for the hyperparameter optimization (HPO) in machine learning. At its core, BO iteratively evaluates promising configurations until a user-defined budget, such as wall-clock time or number of iterations, is exhausted. While the final performance after tuning heavily depends on the provided budget, it is hard to pre-specify an optimal value in advance. In this work, we propose an effective and intuitive termination criterion for BO that automatically stops the procedure if it is sufficiently close to the global optimum. Our key insight is that the discrepancy between the true objective (predictive performance on test data) and the computable target (validation performance) suggests stopping once the suboptimality in optimizing the target is dominated by the statistical estimation error. Across an extensive range of real-world HPO problems and baselines, we show that our termination criterion achieves a better trade-off between the test performance and optimization time. Additionally, we find that overfitting may occur in the context of HPO, which is arguably an overlooked problem in the literature, and show how our termination criterion helps to mitigate this phenomenon on both small and large datasets.

It is now well known that neural networks can be wrong with high confidence in their predictions, leading to poor calibration. The most common post-hoc approach to compensate for this is to perform temperature scaling, which adjusts the confidences of the predictions on any input by scaling the logits by a fixed value. Whilst this approach typically improves the average calibration across the whole test dataset, this improvement typically reduces the individual confidences of the predictions irrespective of whether the classification of a given input is correct or incorrect. With this insight, we base our method on the observation that different samples contribute to the calibration error by varying amounts, with some needing to increase their confidence and others needing to decrease it. Therefore, for each input, we propose to predict a different temperature value, allowing us to adjust the mismatch between confidence and accuracy at a finer granularity. Furthermore, we observe improved results on OOD detection and can also extract a notion of hardness for the data-points. Our method is applied post-hoc, consequently using very little computation time and with a negligible memory footprint and is applied to off-the-shelf pre-trained classifiers. We test our method on the ResNet50 and WideResNet28-10 architectures using the CIFAR10/100 and Tiny-ImageNet datasets, showing that producing per-data-point temperatures is beneficial also for the expected calibration error across the whole test set. Code is available at: //github.com/thwjoy/adats.

Motivated by comparing the convergence behavior of Gegenbauer projections and best approximations, we study the optimal rate of convergence for Gegenbauer projections in the maximum norm. We show that the rate of convergence of Gegenbauer projections is the same as that of best approximations under conditions of the underlying function is either analytic on and within an ellipse and $\lambda\leq0$ or differentiable and $\lambda\leq1$, where $\lambda$ is the parameter in Gegenbauer projections. If the underlying function is analytic and $\lambda>0$ or differentiable and $\lambda>1$, then the rate of convergence of Gegenbauer projections is slower than that of best approximations by factors of $n^{\lambda}$ and $n^{\lambda-1}$, respectively. An exceptional case is functions with endpoint singularities, for which Gegenbauer projections and best approximations converge at the same rate for all $\lambda>-1/2$. For functions with interior or endpoint singularities, we provide a theoretical explanation for the error localization phenomenon of Gegenbauer projections and for why the accuracy of Gegenbauer projections is better than that of best approximations except in small neighborhoods of the critical points. Our analysis provides fundamentally new insight into the power of Gegenbauer approximations and related spectral methods.

The Modboat is a low-cost, underactuated, modular robot capable of surface swimming. It is able to swim individually, dock to other Modboats, and undock from them using only a single motor and two passive flippers. Undocking without additional actuation is achieved by causing intentional self-collision between the tails of neighboring modules; this becomes a challenge when group swimming as one connected component is desirable. In this work, we develop a control strategy to allow parallel lattices of Modboats to swim as a single unit, which conventionally requires holonomic modules. We show that the control strategy is guaranteed to avoid unintentional undocking and minimizes internal forces within the lattice. Experimental verification shows that the controller performs well and is consistent for lattices of various sizes. Controllability is maintained while swimming, but pure yaw control causes lateral movement that cannot be counteracted by the presented framework.

We introduce a neural implicit framework that exploits the differentiable properties of neural networks and the discrete geometry of point-sampled surfaces to approximate them as the level sets of neural implicit functions. To train a neural implicit function, we propose a loss functional that approximates a signed distance function, and allows terms with high-order derivatives, such as the alignment between the principal directions of curvature, to learn more geometric details. During training, we consider a non-uniform sampling strategy based on the curvatures of the point-sampled surface to prioritize points with more geometric details. This sampling implies faster learning while preserving geometric accuracy when compared with previous approaches. We also present the analytical differential geometry formulas for neural surfaces, such as normal vectors and curvatures.

Boosting is one of the most significant developments in machine learning. This paper studies the rate of convergence of $L_2$Boosting, which is tailored for regression, in a high-dimensional setting. Moreover, we introduce so-called \textquotedblleft post-Boosting\textquotedblright. This is a post-selection estimator which applies ordinary least squares to the variables selected in the first stage by $L_2$Boosting. Another variant is \textquotedblleft Orthogonal Boosting\textquotedblright\ where after each step an orthogonal projection is conducted. We show that both post-$L_2$Boosting and the orthogonal boosting achieve the same rate of convergence as LASSO in a sparse, high-dimensional setting. We show that the rate of convergence of the classical $L_2$Boosting depends on the design matrix described by a sparse eigenvalue constant. To show the latter results, we derive new approximation results for the pure greedy algorithm, based on analyzing the revisiting behavior of $L_2$Boosting. We also introduce feasible rules for early stopping, which can be easily implemented and used in applied work. Our results also allow a direct comparison between LASSO and boosting which has been missing from the literature. Finally, we present simulation studies and applications to illustrate the relevance of our theoretical results and to provide insights into the practical aspects of boosting. In these simulation studies, post-$L_2$Boosting clearly outperforms LASSO.

Recently, Implicit Neural Representations (INRs) parameterized by neural networks have emerged as a powerful and promising tool to represent different kinds of signals due to its continuous, differentiable properties, showing superiorities to classical discretized representations. However, the training of neural networks for INRs only utilizes input-output pairs, and the derivatives of the target output with respect to the input, which can be accessed in some cases, are usually ignored. In this paper, we propose a training paradigm for INRs whose target output is image pixels, to encode image derivatives in addition to image values in the neural network. Specifically, we use finite differences to approximate image derivatives. We show how the training paradigm can be leveraged to solve typical INRs problems, i.e., image regression and inverse rendering, and demonstrate this training paradigm can improve the data-efficiency and generalization capabilities of INRs. The code of our method is available at \url{//github.com/megvii-research/Sobolev_INRs}.

We examine acoustic Doppler current profiler (ADCP) measurements from underwater gliders to determine glider position, glider velocity, and subsurface current. ADCPs, however, do not directly observe the quantities of interest; instead, they measure the relative motion of the vehicle and the water column. We examine the lineage of mathematical innovations that have previously been applied to this problem, discovering an unstated but incorrect assumption of independence. We reframe a recent method to form a joint probability model of current and vehicle navigation, which allows us to correct this assumption and extend the classic Kalman smoothing method. Detailed simulations affirm the efficacy of our approach for computing estimates and their uncertainty. The joint model developed here sets the stage for future work to incorporate constraints, range measurements, and robust statistical modeling.

Importance sampling (IS) is valuable in reducing the variance of Monte Carlo sampling for many areas, including finance, rare event simulation, and Bayesian inference. It is natural and obvious to combine quasi-Monte Carlo (QMC) methods with IS to achieve a faster rate of convergence. However, a naive replacement of Monte Carlo with QMC may not work well. This paper investigates the convergence rates of randomized QMC-based IS for estimating integrals with respect to a Gaussian measure, in which the IS measure is a Gaussian or $t$ distribution. We prove that if the target function satisfies the so-called boundary growth condition and the covariance matrix of the IS density has eigenvalues no smaller than 1, then randomized QMC with the Gaussian proposal has a root mean squared error of $O(N^{-1+\epsilon})$ for arbitrarily small $\epsilon>0$. Similar results of $t$ distribution as the proposal are also established. These sufficient conditions help to assess the effectiveness of IS in QMC. For some particular applications, we find that the Laplace IS, a very general approach to approximate the target function by a quadratic Taylor approximation around its mode, has eigenvalues smaller than 1, making the resulting integrand less favorable for QMC. From this point of view, when using Gaussian distributions as the IS proposal, a change of measure via Laplace IS may transform a favorable integrand into unfavorable one for QMC although the variance of Monte Carlo sampling is reduced. We also give some examples to verify our propositions and warn against naive replacement of MC with QMC under IS proposals. Numerical results suggest that using Laplace IS with $t$ distributions is more robust than that with Gaussian distributions.

In this paper, the disjunctive and conjunctive lattice piecewise affine (PWA) approximations of explicit linear model predictive control (MPC) are proposed. The training data are generated uniformly in the domain of interest, consisting of the state samples and corresponding affine control laws, based on which the lattice PWA approximations are constructed. Re-sampling of data is also proposed to guarantee that the lattice PWA approximations are identical to explicit MPC control law in the unique order (UO) regions containing the sample points as interior points. Additionally, under mild assumptions, the equivalence of the two lattice PWA approximations guarantees that the approximations are error-free in the domain of interest. The algorithms for deriving statistically error-free approximation to the explicit linear MPC are proposed and the complexity of the entire procedure is analyzed, which is polynomial with respect to the number of samples. The performance of the proposed approximation strategy is tested through two simulation examples, and the result shows that with a moderate number of sample points, we can construct lattice PWA approximations that are equivalent to optimal control law of the explicit linear MPC.