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We develop a general theoretical and algorithmic framework for sparse approximation and structured prediction in $\mathcal{P}_2(\Omega)$ with Wasserstein barycenters. The barycenters are sparse in the sense that they are computed from an available dictionary of measures but the approximations only involve a reduced number of atoms. We show that the best reconstruction from the class of sparse barycenters is characterized by a notion of best $n$-term barycenter which we introduce, and which can be understood as a natural extension of the classical concept of best $n$-term approximation in Banach spaces. We show that the best $n$-term barycenter is the minimizer of a highly non-convex, bi-level optimization problem, and we develop algorithmic strategies for practical numerical computation. We next leverage this approximation tool to build interpolation strategies that involve a reduced computational cost, and that can be used for structured prediction, and metamodelling of parametrized families of measures. We illustrate the potential of the method through the specific problem of Model Order Reduction (MOR) of parametrized PDEs. Since our approach is sparse, adaptive and preserves mass by construction, it has potential to overcome known bottlenecks of classical linear methods in hyperbolic conservation laws transporting discontinuities. It also paves the way towards MOR for measure-valued PDE problems such as gradient flows.

This paper proposes a flexible framework for inferring large-scale time-varying and time-lagged correlation networks from multivariate or high-dimensional non-stationary time series with piecewise smooth trends. Built on a novel and unified multiple-testing procedure of time-lagged cross-correlation functions with a fixed or diverging number of lags, our method can accurately disclose flexible time-varying network structures associated with complex functional structures at all time points. We broaden the applicability of our method to the structure breaks by developing difference-based nonparametric estimators of cross-correlations, achieve accurate family-wise error control via a bootstrap-assisted procedure adaptive to the complex temporal dynamics, and enhance the probability of recovering the time-varying network structures using a new uniform variance reduction technique. We prove the asymptotic validity of the proposed method and demonstrate its effectiveness in finite samples through simulation studies and empirical applications.

In this paper, we present DevFormer, a novel transformer-based architecture for addressing the complex and computationally demanding problem of hardware design optimization. Despite the demonstrated efficacy of transformers in domains including natural language processing and computer vision, their use in hardware design has been limited by the scarcity of offline data. Our approach addresses this limitation by introducing strong inductive biases such as relative positional embeddings and action-permutation symmetricity that effectively capture the hardware context and enable efficient design optimization with limited offline data. We apply DevFormer to the problem of decoupling capacitor placement and show that it outperforms state-of-the-art methods in both simulated and real hardware, leading to improved performances while reducing the number of components by more than 30%. Finally, we show that our approach achieves promising results in other offline contextual learning-based combinatorial optimization tasks.

Simulation parameter settings such as contact models and object geometry approximations are critical to training robust robotic policies capable of transferring from simulation to real-world deployment. Previous approaches typically handcraft distributions over such parameters (domain randomization), or identify parameters that best match the dynamics of the real environment (system identification). However, there is often an irreducible gap between simulation and reality: attempting to match the dynamics between simulation and reality across all states and tasks may be infeasible and may not lead to policies that perform well in reality for a specific task. Addressing this issue, we propose AdaptSim, a new task-driven adaptation framework for sim-to-real transfer that aims to optimize task performance in target (real) environments -- instead of matching dynamics between simulation and reality. First, we meta-learn an adaptation policy in simulation using reinforcement learning for adjusting the simulation parameter distribution based on the current policy's performance in a target environment. We then perform iterative real-world adaptation by inferring new simulation parameter distributions for policy training, using a small amount of real data. We perform experiments in three robotic tasks: (1) swing-up of linearized double pendulum, (2) dynamic table-top pushing of a bottle, and (3) dynamic scooping of food pieces with a spatula. Our extensive simulation and hardware experiments demonstrate AdaptSim achieving 1-3x asymptotic performance and $\sim$2x real data efficiency when adapting to different environments, compared to methods based on Sys-ID and directly training the task policy in target environments.

Federated Learning (FL) has emerged as a new paradigm for training machine learning models distributively without sacrificing data security and privacy. Learning models on edge devices such as mobile phones is one of the most common use cases for FL. However, Non-identical independent distributed~(non-IID) data in edge devices easily leads to training failures. Especially, over-parameterized machine learning models can easily be over-fitted on such data, hence, resulting in inefficient federated learning and poor model performance. To overcome the over-fitting issue, we proposed an adaptive dynamic pruning approach for FL, which can dynamically slim the model by dropping out unimportant parameters, hence, preventing over-fittings. Since the machine learning model's parameters react differently for different training samples, adaptive dynamic pruning will evaluate the salience of the model's parameter according to the input training sample, and only retain the salient parameter's gradients when doing back-propagation. We performed comprehensive experiments to evaluate our approach. The results show that our approach by removing the redundant parameters in neural networks can significantly reduce the over-fitting issue and greatly improves the training efficiency. In particular, when training the ResNet-32 on CIFAR-10, our approach reduces the communication cost by 57\%. We further demonstrate the inference acceleration capability of the proposed algorithm. Our approach reduces up to 50\% FLOPs inference of DNNs on edge devices while maintaining the model's quality.

Neural Algorithmic Reasoning is an emerging area of machine learning which seeks to infuse algorithmic computation in neural networks, typically by training neural models to approximate steps of classical algorithms. In this context, much of the current work has focused on learning reachability and shortest path graph algorithms, showing that joint learning on similar algorithms is beneficial for generalisation. However, when targeting more complex problems, such similar algorithms become more difficult to find. Here, we propose to learn algorithms by exploiting duality of the underlying algorithmic problem. Many algorithms solve optimisation problems. We demonstrate that simultaneously learning the dual definition of these optimisation problems in algorithmic learning allows for better learning and qualitatively better solutions. Specifically, we exploit the max-flow min-cut theorem to simultaneously learn these two algorithms over synthetically generated graphs, demonstrating the effectiveness of the proposed approach. We then validate the real-world utility of our dual algorithmic reasoner by deploying it on a challenging brain vessel classification task, which likely depends on the vessels' flow properties. We demonstrate a clear performance gain when using our model within such a context, and empirically show that learning the max-flow and min-cut algorithms together is critical for achieving such a result.

Motivated by a real-world application, we model and solve a complex staff scheduling problem. Tasks are to be assigned to workers for supervision. Multiple tasks can be covered in parallel by a single worker, with worker shifts being flexible within availabilities. Each worker has a different skill set, enabling them to cover different tasks. Tasks require assignment according to priority and skill requirements. The objective is to maximize the number of assigned tasks weighted by their priorities, while minimizing assignment penalties. We develop an adaptive large neighborhood search (ALNS) algorithm, relying on tailored destroy and repair operators. It is tested on benchmark instances derived from real-world data and compared to optimal results obtained by means of a commercial MIP-solver. Furthermore, we analyze the impact of considering three additional alternative objective functions. When applied to large-scale company data, the developed ALNS outperforms the previously applied solution approach.

The real-time processing of time series signals is a critical issue for many real-life applications. The idea of real-time processing is especially important in audio domain as the human perception of sound is sensitive to any kind of disturbance in perceived signals, especially the lag between auditory and visual modalities. The rise of deep learning (DL) models complicated the landscape of signal processing. Although they often have superior quality compared to standard DSP methods, this advantage is diminished by higher latency. In this work we propose novel method for minimization of inference time latency and memory consumption, called Short-Term Memory Convolution (STMC) and its transposed counterpart. The main advantage of STMC is the low latency comparable to long short-term memory (LSTM) networks. Furthermore, the training of STMC-based models is faster and more stable as the method is based solely on convolutional neural networks (CNNs). In this study we demonstrate an application of this solution to a U-Net model for a speech separation task and GhostNet model in acoustic scene classification (ASC) task. In case of speech separation we achieved a 5-fold reduction in inference time and a 2-fold reduction in latency without affecting the output quality. The inference time for ASC task was up to 4 times faster while preserving the original accuracy.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

The Q-learning algorithm is known to be affected by the maximization bias, i.e. the systematic overestimation of action values, an important issue that has recently received renewed attention. Double Q-learning has been proposed as an efficient algorithm to mitigate this bias. However, this comes at the price of an underestimation of action values, in addition to increased memory requirements and a slower convergence. In this paper, we introduce a new way to address the maximization bias in the form of a "self-correcting algorithm" for approximating the maximum of an expected value. Our method balances the overestimation of the single estimator used in conventional Q-learning and the underestimation of the double estimator used in Double Q-learning. Applying this strategy to Q-learning results in Self-correcting Q-learning. We show theoretically that this new algorithm enjoys the same convergence guarantees as Q-learning while being more accurate. Empirically, it performs better than Double Q-learning in domains with rewards of high variance, and it even attains faster convergence than Q-learning in domains with rewards of zero or low variance. These advantages transfer to a Deep Q Network implementation that we call Self-correcting DQN and which outperforms regular DQN and Double DQN on several tasks in the Atari 2600 domain.