Semi-supervised learning (SSL) provides an effective means of leveraging unlabelled data to improve a model's performance. Even though the domain has received a considerable amount of attention in the past years, most methods present the common drawback of lacking theoretical guarantees. Our starting point is to notice that the estimate of the risk that most discriminative SSL methods minimise is biased, even asymptotically. This bias impedes the use of standard statistical learning theory and can hurt empirical performance. We propose a simple way of removing the bias. Our debiasing approach is straightforward to implement and applicable to most deep SSL methods. We provide simple theoretical guarantees on the trustworthiness of these modified methods, without having to rely on the strong assumptions on the data distribution that SSL theory usually requires. In particular, we provide generalisation error bounds for the proposed methods. We evaluate debiased versions of different existing SSL methods, such as the Pseudolabel method and Fixmatch, and show that debiasing can compete with classic deep SSL techniques in various settings by providing better calibrated models. Additionally, we provide a theoretical explanation of the intuition of the popular SSL methods. The promise of semi-supervised learning (SSL) is to be able to learn powerful predictive models using partially labelled data. In turn, this would allow machine learning to be less dependent on the often costly and sometimes dangerously biased task of labelling data. Scudder's (1965) untaught pattern recognition machine--simply replaced unknown labels with predictions made by some estimate of the predictive model and used the obtained pseudo-labels to refine their initial estimate. Other more complex branches of SSL have been explored since, notably using generative models (from McLachlan, 1977, to Kingma et al., 2014) or graphs (notably following Zhu et al., 2003). Deep neural networks, which are state-of-the-art supervised predictors, have been trained successfully using SSL. Somewhat surprisingly, the main ingredient of their success is still the notion of pseudo-labels (or one of its variants), combined with systematic use of data augmentation (e.g. An obvious SSL baseline is simply throwing away the unlabelled data.

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box objective functions. However, the application of BO to areas such as recommendation systems often requires taking the interpretability and simplicity of the configurations into consideration, a setting that has not been previously studied in the BO literature. To make BO useful for this setting, we present several regularization-based approaches that allow us to discover sparse and more interpretable configurations. We propose a novel differentiable relaxation based on homotopy continuation that makes it possible to target sparsity by working directly with $L_0$ regularization. We identify failure modes for regularized BO and develop a hyperparameter-free method, sparsity exploring Bayesian optimization (SEBO) that seeks to simultaneously maximize a target objective and sparsity. SEBO and methods based on fixed regularization are evaluated on synthetic and real-world problems, and we show that we are able to efficiently optimize for sparsity.

In this work, Transition Probability Matrix (TPM) is proposed as a new method for extracting the features of nodes in the graph. The proposed method uses random walks to capture the connectivity structure of a node's close neighborhood. The information obtained from random walks is converted to anonymous walks to extract the topological features of nodes. In the embedding process of nodes, anonymous walks are used since they capture the topological similarities of connectivities better than random walks. Therefore the obtained embedding vectors have richer information about the underlying connectivity structure. The method is applied to node classification and link prediction tasks. The performance of the proposed algorithm is superior to the state-of-the-art algorithms in the recent literature. Moreover, the extracted information about the connectivity structure of similar networks is used to link prediction and node classification tasks for a completely new graph.

We study search problems that can be solved by performing Gradient Descent on a bounded convex polytopal domain and show that this class is equal to the intersection of two well-known classes: PPAD and PLS. As our main underlying technical contribution, we show that computing a Karush-Kuhn-Tucker (KKT) point of a continuously differentiable function over the domain $[0,1]^2$ is PPAD $\cap$ PLS-complete. This is the first non-artificial problem to be shown complete for this class. Our results also imply that the class CLS (Continuous Local Search) - which was defined by Daskalakis and Papadimitriou as a more "natural" counterpart to PPAD $\cap$ PLS and contains many interesting problems - is itself equal to PPAD $\cap$ PLS.

The Plug-and-Play (PnP) framework makes it possible to integrate advanced image denoising priors into optimization algorithms, to efficiently solve a variety of image restoration tasks generally formulated as Maximum A Posteriori (MAP) estimation problems. The Plug-and-Play alternating direction method of multipliers (ADMM) and the Regularization by Denoising (RED) algorithms are two examples of such methods that made a breakthrough in image restoration. However, while the former method only applies to proximal algorithms, it has recently been shown that there exists no regularization that explains the RED algorithm when the denoisers lack Jacobian symmetry, which happen to be the case of most practical denoisers. To the best of our knowledge, there exists no method for training a network that directly represents the gradient of a regularizer, which can be directly used in Plug-and-Play gradient-based algorithms. We show that it is possible to train a network directly modeling the gradient of a MAP regularizer while jointly training the corresponding MAP denoiser. We use this network in gradient-based optimization methods and obtain better results comparing to other generic Plug-and-Play approaches. We also show that the regularizer can be used as a pre-trained network for unrolled gradient descent. Lastly, we show that the resulting denoiser allows for a better convergence of the Plug-and-Play ADMM.

Using deep learning models to diagnose cancer from histology data presents several challenges. Cancer grading and localization of regions of interest (ROIs) in these images normally relies on both image- and pixel-level labels, the latter requiring a costly annotation process. Deep weakly-supervised object localization (WSOL) methods provide different strategies for low-cost training of deep learning models. Using only image-class annotations, these methods can be trained to classify an image, and yield class activation maps (CAMs) for ROI localization. This paper provides a review of state-of-art DL methods for WSOL. We propose a taxonomy where these methods are divided into bottom-up and top-down methods according to the information flow in models. Although the latter have seen limited progress, recent bottom-up methods are currently driving much progress with deep WSOL methods. Early works focused on designing different spatial pooling functions. However, these methods reached limited localization accuracy, and unveiled a major limitation -- the under-activation of CAMs which leads to high false negative localization. Subsequent works aimed to alleviate this issue and recover complete object. Representative methods from our taxonomy are evaluated and compared in terms of classification and localization accuracy on two challenging histology datasets. Overall, the results indicate poor localization performance, particularly for generic methods that were initially designed to process natural images. Methods designed to address the challenges of histology data yielded good results. However, all methods suffer from high false positive/negative localization. Four key challenges are identified for the application of deep WSOL methods in histology -- under/over activation of CAMs, sensitivity to thresholding, and model selection.

Partial differential equations (PDEs) see widespread use in sciences and engineering to describe simulation of physical processes as scalar and vector fields interacting and coevolving over time. Due to the computationally expensive nature of their standard solution methods, neural PDE surrogates have become an active research topic to accelerate these simulations. However, current methods do not explicitly take into account the relationship between different fields and their internal components, which are often correlated. Viewing the time evolution of such correlated fields through the lens of multivector fields allows us to overcome these limitations. Multivector fields consist of scalar, vector, as well as higher-order components, such as bivectors and trivectors. Their algebraic properties, such as multiplication, addition and other arithmetic operations can be described by Clifford algebras. To our knowledge, this paper presents the first usage of such multivector representations together with Clifford convolutions and Clifford Fourier transforms in the context of deep learning. The resulting Clifford neural layers are universally applicable and will find direct use in the areas of fluid dynamics, weather forecasting, and the modeling of physical systems in general. We empirically evaluate the benefit of Clifford neural layers by replacing convolution and Fourier operations in common neural PDE surrogates by their Clifford counterparts on 2D Navier-Stokes and weather modeling tasks, as well as 3D Maxwell equations. For similar parameter count, Clifford neural layers consistently improve generalization capabilities of the tested neural PDE surrogates. Source code for our PyTorch implementation is available at https://microsoft.github.io/cliffordlayers/.

As autonomous vehicles (AVs) continue to be integrated into public roads, it is inevitable that they will interact with human-driven vehicles (HVs) in a mixed traffic environment. In such traffic scenarios, it is crucial to consider the reactive and uncertain behavior of HVs when developing control strategies for AVs. This paper investigates the safe control of a platoon of AVs interacting with HVs in longitudinal car-following scenarios. To better predict the behavior of HVs, we propose a model that combines a first-principles nominal model with a Gaussian process (GP) learning-based component. Our results show that this model reduces the root mean square error in predicting HV velocity by 35.64\% compared to the nominal model. Utilizing this model, a model predictive control (MPC) strategy, referred to as GP-MPC, is designed to ensure a safe distance between each vehicle in the mixed vehicle platoon. The GP-MPC integrates the uncertainty assessment of the human-driven vehicle model by the GP models into the distance constraint, which enhances safety guarantees in challenging traffic scenarios such as emergency braking. Simulation case studies comparing the proposed GP-MPC against a baseline MPC demonstrate that the GP-MPC achieves superior safety guarantees while enabling more efficient motion behaviors for all vehicles in the mixed vehicle platoon.

The design of Autonomous Vehicle software has largely followed the Sense-Plan-Act model. Traditional modular AV stacks develop perception, planning, and control software separately with little integration when optimizing for different objectives. On the other hand, end-to-end methods usually lack the principle provided by model-based white-box planning and control strategies. We propose a computationally efficient method for approximating closed-form trajectory generation with interpolating Radial Basis Function Networks to create a middle ground between the two approaches. The approach creates smooth approximations of local Lipschitz continuous maps of feasible solutions to parametric optimization problems. We show that this differentiable approximation is efficient to compute and allows for tighter integration with perception and control algorithms when used as the planning strategy.

Self-training is a simple yet effective method within semi-supervised learning. The idea is to iteratively enhance training data by adding pseudo-labeled data. Its generalization performance heavily depends on the selection of these pseudo-labeled data (PLS). In this paper, we aim at rendering PLS more robust towards the involved modeling assumptions. To this end, we propose to select pseudo-labeled data that maximize a multi-objective utility function. The latter is constructed to account for different sources of uncertainty, three of which we discuss in more detail: model selection, accumulation of errors and covariate shift. In the absence of second-order information on such uncertainties, we furthermore consider the generic approach of the generalized Bayesian alpha-cut updating rule for credal sets. As a practical proof of concept, we spotlight the application of three of our robust extensions on simulated and real-world data. Results suggest that in particular robustness w.r.t. model choice can lead to substantial accuracy gains.