与经典的机器学习方法相比，量子机学习（QML）尚未广泛证明其优势。到目前为止，只有在特定情况下，某些量子启发的技术已经实现了少量的增量优势，而在中期未来的混合量子计算中，一些实验案例有望实现（不考虑与使用量子的优化相关的成就 - 周期算法）。当前的量子计算机嘈杂，几乎没有量子的测试，因此很难证明QML方法的当前和潜在量子优势。这项研究表明，在数据预处理步骤中，我们可以通过使用线性判别分析（LDA）来实现量子分类器的更好的经典编码和性能。结果，变异量子算法（VQA）通过LDA技术和优于基线基线经典分类器显示出平衡精度的性能。

Recent advances in deep learning have enabled us to address the curse of dimensionality (COD) by solving problems in higher dimensions. A subset of such approaches of addressing the COD has led us to solving high-dimensional PDEs. This has resulted in opening doors to solving a variety of real-world problems ranging from mathematical finance to stochastic control for industrial applications. Although feasible, these deep learning methods are still constrained by training time and memory. Tackling these shortcomings, Tensor Neural Networks (TNN) demonstrate that they can provide significant parameter savings while attaining the same accuracy as compared to the classical Dense Neural Network (DNN). In addition, we also show how TNN can be trained faster than DNN for the same accuracy. Besides TNN, we also introduce Tensor Network Initializer (TNN Init), a weight initialization scheme that leads to faster convergence with smaller variance for an equivalent parameter count as compared to a DNN. We benchmark TNN and TNN Init by applying them to solve the parabolic PDE associated with the Heston model, which is widely used in financial pricing theory.

Optimal Power Flow (OPF) is a very traditional research area within the power systems field that seeks for the optimal operation point of electric power plants, and which needs to be solved every few minutes in real-world scenarios. However, due to the nonconvexities that arise in power generation systems, there is not yet a fast, robust solution technique for the full Alternating Current Optimal Power Flow (ACOPF). In the last decades, power grids have evolved into a typical dynamic, non-linear and large-scale control system, known as the power system, so searching for better and faster ACOPF solutions is becoming crucial. Appearance of Graph Neural Networks (GNN) has allowed the natural use of Machine Learning (ML) algorithms on graph data, such as power networks. On the other hand, Deep Reinforcement Learning (DRL) is known for its powerful capability to solve complex decision-making problems. Although solutions that use these two methods separately are beginning to appear in the literature, none has yet combined the advantages of both. We propose a novel architecture based on the Proximal Policy Optimization algorithm with Graph Neural Networks to solve the Optimal Power Flow. The objective is to design an architecture that learns how to solve the optimization problem and that is at the same time able to generalize to unseen scenarios. We compare our solution with the DCOPF in terms of cost after having trained our DRL agent on IEEE 30 bus system and then computing the OPF on that base network with topology changes

Network models are an essential block of modern networks. For example, they are widely used in network planning and optimization. However, as networks increase in scale and complexity, some models present limitations, such as the assumption of markovian traffic in queuing theory models, or the high computational cost of network simulators. Recent advances in machine learning, such as Graph Neural Networks (GNN), are enabling a new generation of network models that are data-driven and can learn complex non-linear behaviors. In this paper, we present RouteNet-Fermi, a custom GNN model that shares the same goals as queuing theory, while being considerably more accurate in the presence of realistic traffic models. The proposed model predicts accurately the delay, jitter, and loss in networks. We have tested RouteNet-Fermi in networks of increasing size (up to 300 nodes), including samples with mixed traffic profiles -- e.g., with complex non-markovian models -- and arbitrary routing and queue scheduling configurations. Our experimental results show that RouteNet-Fermi achieves similar accuracy as computationally-expensive packet-level simulators and it is able to accurately scale to large networks. For example, the model produces delay estimates with a mean relative error of 6.24% when applied to a test dataset with 1,000 samples, including network topologies one order of magnitude larger than those seen during training.

Physics-Informed Neural Networks (PINNs) have gained much attention in various fields of engineering thanks to their capability of incorporating physical laws into the models. PINNs integrate the physical constraints by minimizing the partial differential equations (PDEs) residuals on a set of collocation points. The distribution of these collocation points appears to have a huge impact on the performance of PINNs and the assessment of the sampling methods for these points is still an active topic. In this paper, we propose a Fixed-Budget Online Adaptive Mesh Learning (FBOAML) method, which decomposes the domain into sub-domains, for training collocation points based on local maxima and local minima of the PDEs residuals. The stopping criterion is based on a data set of reference, which leads to an adaptive number of iterations for each specific problem. The effectiveness of FBOAML is demonstrated in the context of non-parameterized and parameterized problems. The impact of the hyper-parameters in FBOAML is investigated in this work. The comparison with other adaptive sampling methods is also illustrated. The numerical results demonstrate important gains in terms of accuracy of PINNs with FBOAML over the classical PINNs with non-adaptive collocation points. We also apply FBOAML in a complex industrial application involving coupling between mechanical and thermal fields. We show that FBOAML is able to identify the high-gradient location and even give better prediction for some physical fields than the classical PINNs with collocation points taken on a pre-adapted finite element mesh.

To face the dependency on fossil fuels and limit carbon emissions, fuel cells are a very promising technology and appear to be a key candidate to tackle the increase of the energy demand and promote the energy transition. To meet future needs for both transport and stationary applications, the time to market of fuel cell stacks must be drastically reduced. Here, a new concept to shorten their development time by introducing a disruptive and highefficiency data augmentation approach based on artificial intelligence is presented. Our results allow reducing the testing time before introducing a product on the market from a thousand to a few hours. The innovative concept proposed here can support engineering and research tasks during the fuel cell development process to achieve decreased development costs alongside a reduced time to market.

We study the multiclass classification problem where the features come from the mixture of time-homogeneous diffusions. Specifically, the classes are discriminated by their drift functions while the diffusion coefficient is common to all classes and unknown. In this framework, we build a plug-in classifier which relies on nonparametric estimators of the drift and diffusion functions. We first establish the consistency of our classification procedure under mild assumptions and then provide rates of cnvergence under different set of assumptions. Finally, a numerical study supports our theoretical findings.

Recently, many causal estimators for Conditional Average Treatment Effect (CATE) and instrumental variable (IV) problems have been published and open sourced, allowing to estimate granular impact of both randomized treatments (such as A/B tests) and of user choices on the outcomes of interest. However, the practical application of such models has ben hampered by the lack of a valid way to score the performance of such models out of sample, in order to select the best one for a given application. We address that gap by proposing novel scoring approaches for both the CATE case and an important subset of instrumental variable problems, namely those where the instrumental variable is customer acces to a product feature, and the treatment is the customer's choice to use that feature. Being able to score model performance out of sample allows us to apply hyperparameter optimization methods to causal model selection and tuning. We implement that in an open source package that relies on DoWhy and EconML libraries for implementation of causal inference models (and also includes a Transformed Outcome model implementation), and on FLAML for hyperparameter optimization and for component models used in the causal models. We demonstrate on synthetic data that optimizing the proposed scores is a reliable method for choosing the model and its hyperparameter values, whose estimates are close to the true impact, in the randomized CATE and IV cases. Further, we provide examles of applying these methods to real customer data from Wise.

We introduce the XPER (eXplainable PERformance) methodology to measure the specific contribution of the input features to the predictive or economic performance of a model. Our methodology offers several advantages. First, it is both model-agnostic and performance metric-agnostic. Second, XPER is theoretically founded as it is based on Shapley values. Third, the interpretation of the benchmark, which is inherent in any Shapley value decomposition, is meaningful in our context. Fourth, XPER is not plagued by model specification error, as it does not require re-estimating the model. Fifth, it can be implemented either at the model level or at the individual level. In an application based on auto loans, we find that performance can be explained by a surprisingly small number of features. XPER decompositions are rather stable across metrics, yet some feature contributions switch sign across metrics. Our analysis also shows that explaining model forecasts and model performance are two distinct tasks.

We propose a novel method for high-quality facial texture reconstruction from RGB images using a novel capturing routine based on a single smartphone which we equip with an inexpensive polarization foil. Specifically, we turn the flashlight into a polarized light source and add a polarization filter on top of the camera. Leveraging this setup, we capture the face of a subject with cross-polarized and parallel-polarized light. For each subject, we record two short sequences in a dark environment under flash illumination with different light polarization using the modified smartphone. Based on these observations, we reconstruct an explicit surface mesh of the face using structure from motion. We then exploit the camera and light co-location within a differentiable renderer to optimize the facial textures using an analysis-by-synthesis approach. Our method optimizes for high-resolution normal textures, diffuse albedo, and specular albedo using a coarse-to-fine optimization scheme. We show that the optimized textures can be used in a standard rendering pipeline to synthesize high-quality photo-realistic 3D digital humans in novel environments.