pwc-archive/papers-with-abstracts huggingface dataset:
Distribution-Free Inference for the Regression Function of Binary Classification
Authors: Ambrus Tamás, Balázs Csanád Csáji
Date: 2023-08-03 00:00:00
Tasks: Binary Classification, regression

One of the key objects of binary classification is the regression function, i.e., the conditional expectation of the class labels given the inputs. With the regression function not only a Bayes optimal classifier can be defined, but it also encodes the corresponding misclassification probabilities. The paper presents a resampling framework to construct exact, distribution-free and non-asymptotically guaranteed confidence regions for the true regression function for any user-chosen confidence level. Then, specific algorithms are suggested to demonstrate the framework. It is proved that the constructed confidence regions are strongly consistent, that is, any false model is excluded in the long run with probability one. The exclusion is quantified with probably approximately correct type bounds, as well. Finally, the algorithms are validated via numerical experiments, and the methods are compared to approximate asymptotic confidence ellipsoids.
Tensor Programs IVb: Adaptive Optimization in the Infinite-Width Limit
Authors: Greg Yang, Etai Littwin
Date: 2023-08-03 00:00:00

Going beyond stochastic gradient descent (SGD), what new phenomena emerge in wide neural networks trained by adaptive optimizers like Adam? Here we show: The same dichotomy between feature learning and kernel behaviors (as in SGD) holds for general optimizers as well, including Adam -- albeit with a nonlinear notion of "kernel." We derive the corresponding "neural tangent" and "maximal update" limits for any architecture. Two foundational advances underlie the above results: 1) A new Tensor Program language, NEXORT, that can express how adaptive optimizers process gradients into updates. 2) The introduction of bra-ket notation to drastically simplify expressions and calculations in Tensor Programs. This work summarizes and generalizes all previous results in the Tensor Programs series of papers.
Benchmarking Adaptative Variational Quantum Algorithms on QUBO Instances
Authors: Gloria Turati, Maurizio Ferrari Dacrema, Paolo Cremonesi
Date: 2023-08-03 00:00:00
Tasks: Benchmarking

In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure circuits, which may not be taylored for specific problems or hardware configurations. A leading strategy to address this issue are Adaptative VQAs, which dynamically modify the circuit structure by adding and removing gates, and optimize their parameters during the training. Several Adaptative VQAs, based on heuristics such as circuit shallowness, entanglement capability and hardware compatibility, have already been proposed in the literature, but there is still lack of a systematic comparison between the different methods. In this paper, we aim to fill this gap by analyzing three Adaptative VQAs: Evolutionary Variational Quantum Eigensolver (EVQE), Variable Ansatz (VAns), already proposed in the literature, and Random Adapt-VQE (RA-VQE), a random approach we introduce as a baseline. In order to compare these algorithms to traditional VQAs, we also include the Quantum Approximate Optimization Algorithm (QAOA) in our analysis. We apply these algorithms to QUBO problems and study their performance by examining the quality of the solutions found and the computational times required. Additionally, we investigate how the choice of the hyperparameters can impact the overall performance of the algorithms, highlighting the importance of selecting an appropriate methodology for hyperparameter tuning. Our analysis sets benchmarks for Adaptative VQAs designed for near-term quantum devices and provides valuable insights to guide future research in this area.
Bag of Policies for Distributional Deep Exploration
Authors: Asen Nachkov, Luchen Li, Giulia Luise, Filippo Valdettaro, Aldo Faisal
Date: 2023-08-03 00:00:00
Tasks: Atari Games, Efficient Exploration, Reinforcement Learning (RL), Thompson Sampling

Efficient exploration in complex environments remains a major challenge for reinforcement learning (RL). Compared to previous Thompson sampling-inspired mechanisms that enable temporally extended exploration, i.e., deep exploration, we focus on deep exploration in distributional RL. We develop here a general purpose approach, Bag of Policies (BoP), that can be built on top of any return distribution estimator by maintaining a population of its copies. BoP consists of an ensemble of multiple heads that are updated independently. During training, each episode is controlled by only one of the heads and the collected state-action pairs are used to update all heads off-policy, leading to distinct learning signals for each head which diversify learning and behaviour. To test whether optimistic ensemble method can improve on distributional RL as did on scalar RL, by e.g. Bootstrapped DQN, we implement the BoP approach with a population of distributional actor-critics using Bayesian Distributional Policy Gradients (BDPG). The population thus approximates a posterior distribution of return distributions along with a posterior distribution of policies. Another benefit of building upon BDPG is that it allows to analyze global posterior uncertainty along with local curiosity bonus simultaneously for exploration. As BDPG is already an optimistic method, this pairing helps to investigate if optimism is accumulatable in distributional RL. Overall BoP results in greater robustness and speed during learning as demonstrated by our experimental results on ALE Atari games.
Multitask Learning with No Regret: from Improved Confidence Bounds to Active Learning
Date: 2023-08-03 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Active Learning, Drug Discovery

Multitask learning is a powerful framework that enables one to simultaneously learn multiple related tasks by sharing information between them. Quantifying uncertainty in the estimated tasks is of pivotal importance for many downstream applications, such as online or active learning. In this work, we provide novel multitask confidence intervals in the challenging agnostic setting, i.e., when neither the similarity between tasks nor the tasks' features are available to the learner. The obtained intervals do not require i.i.d. data and can be directly applied to bound the regret in online learning. Through a refined analysis of the multitask information gain, we obtain new regret guarantees that, depending on a task similarity parameter, can significantly improve over treating tasks independently. We further propose a novel online learning algorithm that achieves such improved regret without knowing this parameter in advance, i.e., automatically adapting to task similarity. As a second key application of our results, we introduce a novel multitask active learning setup where several tasks must be simultaneously optimized, but only one of them can be queried for feedback by the learner at each round. For this problem, we design a no-regret algorithm that uses our confidence intervals to decide which task should be queried. Finally, we empirically validate our bounds and algorithms on synthetic and real-world (drug discovery) data.
Finding the Optimum Design of Large Gas Engines Prechambers Using CFD and Bayesian Optimization
Authors: Stefan Posch, Clemens Gößnitzer, Franz Rohrhofer, Bernhard C. Geiger, Andreas Wimmer
Date: 2023-08-03 00:00:00
Tasks: Bayesian Optimization

The turbulent jet ignition concept using prechambers is a promising solution to achieve stable combustion at lean conditions in large gas engines, leading to high efficiency at low emission levels. Due to the wide range of design and operating parameters for large gas engine prechambers, the preferred method for evaluating different designs is computational fluid dynamics (CFD), as testing in test bed measurement campaigns is time-consuming and expensive. However, the significant computational time required for detailed CFD simulations due to the complexity of solving the underlying physics also limits its applicability. In optimization settings similar to the present case, i.e., where the evaluation of the objective function(s) is computationally costly, Bayesian optimization has largely replaced classical design-of-experiment. Thus, the present study deals with the computationally efficient Bayesian optimization of large gas engine prechambers design using CFD simulation. Reynolds-averaged-Navier-Stokes simulations are used to determine the target values as a function of the selected prechamber design parameters. The results indicate that the chosen strategy is effective to find a prechamber design that achieves the desired target values.
Exploiting Multi-Label Correlation in Label Distribution Learning
Authors: Zhiqiang Kou jing wang yuheng jia xin geng
Date: 2023-08-03 00:00:00
Tasks: Multi-Label Learning

Label Distribution Learning (LDL) is a novel machine learning paradigm that assigns label distribution to each instance. Many LDL methods proposed to leverage label correlation in the learning process to solve the exponential-sized output space; among these, many exploited the low-rank structure of label distribution to capture label correlation. However, recent studies disclosed that label distribution matrices are typically full-rank, posing challenges to those works exploiting low-rank label correlation. Note that multi-label is generally low-rank; low-rank label correlation is widely adopted in multi-label learning (MLL) literature. Inspired by that, we introduce an auxiliary MLL process in LDL and capture low-rank label correlation on that MLL rather than LDL. In such a way, low-rank label correlation is appropriately exploited in our LDL methods. We conduct comprehensive experiments and demonstrate that our methods are superior to existing LDL methods. Besides, the ablation studies justify the advantages of exploiting low-rank label correlation in the auxiliary MLL.
Telematics Combined Actuarial Neural Networks for Cross-Sectional and Longitudinal Claim Count Data
Authors: Francis Duval, Jean-Philippe Boucher, Mathieu Pigeon
Date: 2023-08-03 00:00:00
Tasks: regression

We present novel cross-sectional and longitudinal claim count models for vehicle insurance built upon the Combined Actuarial Neural Network (CANN) framework proposed by Mario W\"uthrich and Michael Merz. The CANN approach combines a classical actuarial model, such as a generalized linear model, with a neural network. This blending of models results in a two-component model comprising a classical regression model and a neural network part. The CANN model leverages the strengths of both components, providing a solid foundation and interpretability from the classical model while harnessing the flexibility and capacity to capture intricate relationships and interactions offered by the neural network. In our proposed models, we use well-known log-linear claim count regression models for the classical regression part and a multilayer perceptron (MLP) for the neural network part. The MLP part is used to process telematics car driving data given as a vector characterizing the driving behavior of each insured driver. In addition to the Poisson and negative binomial distributions for cross-sectional data, we propose a procedure for training our CANN model with a multivariate negative binomial (MVNB) specification. By doing so, we introduce a longitudinal model that accounts for the dependence between contracts from the same insured. Our results reveal that the CANN models exhibit superior performance compared to log-linear models that rely on manually engineered telematics features.
Efficiency of First-Order Methods for Low-Rank Tensor Recovery with the Tensor Nuclear Norm Under Strict Complementarity
Authors: Dan Garber, Atara Kaplan
Date: 2023-08-03 00:00:00

We consider convex relaxations for recovering low-rank tensors based on constrained minimization over a ball induced by the tensor nuclear norm, recently introduced in \cite{tensor_tSVD}. We build on a recent line of results that considered convex relaxations for the recovery of low-rank matrices and established that under a strict complementarity condition (SC), both the convergence rate and per-iteration runtime of standard gradient methods may improve dramatically. We develop the appropriate strict complementarity condition for the tensor nuclear norm ball and obtain the following main results under this condition: 1. When the objective to minimize is of the form $f(\mX)=g(\mA\mX)+\langle{\mC,\mX}\rangle$ , where $g$ is strongly convex and $\mA$ is a linear map (e.g., least squares), a quadratic growth bound holds, which implies linear convergence rates for standard projected gradient methods, despite the fact that $f$ need not be strongly convex. 2. For a smooth objective function, when initialized in certain proximity of an optimal solution which satisfies SC, standard projected gradient methods only require SVD computations (for projecting onto the tensor nuclear norm ball) of rank that matches the tubal rank of the optimal solution. In particular, when the tubal rank is constant, this implies nearly linear (in the size of the tensor) runtime per iteration, as opposed to super linear without further assumptions. 3. For a nonsmooth objective function which admits a popular smooth saddle-point formulation, we derive similar results to the latter for the well known extragradient method. An additional contribution which may be of independent interest, is the rigorous extension of many basic results regarding tensors of arbitrary order, which were previously obtained only for third-order tensors.
End-to-End Reinforcement Learning of Koopman Models for Economic Nonlinear Model Predictive Control
Authors: Daniel Mayfrank, Alexander Mitsos, Manuel Dahmen
Date: 2023-08-03 00:00:00
Tasks: Model Predictive Control, reinforcement-learning, Reinforcement Learning

(Economic) nonlinear model predictive control ((e)NMPC) requires dynamic models that are sufficiently accurate and computationally tractable. Data-driven surrogate models for mechanistic models can reduce the computational burden of (e)NMPC; however, such models are typically trained by system identification for maximum prediction accuracy on simulation samples and perform suboptimally in (e)NMPC. We present a method for end-to-end reinforcement learning of Koopman surrogate models for optimal performance as part of (e)NMPC. We apply our method to two applications derived from an established nonlinear continuous stirred-tank reactor model. The controller performance is compared to that of (e)NMPCs utilizing models trained using system identification, and model-free neural network controllers trained using reinforcement learning. We show that the end-to-end trained models outperform those trained using system identification in (e)NMPC, and that, in contrast to the neural network controllers, the (e)NMPC controllers can react to changes in the control setting without retraining.
UniG-Encoder: A Universal Feature Encoder for Graph and Hypergraph Node Classification
Authors: Minhao Zou, Zhongxue Gan, Yutong Wang, Junheng Zhang, Dongyan Sui, Chun Guan, Siyang Leng
Date: 2023-08-03 00:00:00
Tasks: Node Classification, Representation Learning

Graph and hypergraph representation learning has attracted increasing attention from various research fields. Despite the decent performance and fruitful applications of Graph Neural Networks (GNNs), Hypergraph Neural Networks (HGNNs), and their well-designed variants, on some commonly used benchmark graphs and hypergraphs, they are outperformed by even a simple Multi-Layer Perceptron. This observation motivates a reexamination of the design paradigm of the current GNNs and HGNNs and poses challenges of extracting graph features effectively. In this work, a universal feature encoder for both graph and hypergraph representation learning is designed, called UniG-Encoder. The architecture starts with a forward transformation of the topological relationships of connected nodes into edge or hyperedge features via a normalized projection matrix. The resulting edge/hyperedge features, together with the original node features, are fed into a neural network. The encoded node embeddings are then derived from the reversed transformation, described by the transpose of the projection matrix, of the network's output, which can be further used for tasks such as node classification. The proposed architecture, in contrast to the traditional spectral-based and/or message passing approaches, simultaneously and comprehensively exploits the node features and graph/hypergraph topologies in an efficient and unified manner, covering both heterophilic and homophilic graphs. The designed projection matrix, encoding the graph features, is intuitive and interpretable. Extensive experiments are conducted and demonstrate the superior performance of the proposed framework on twelve representative hypergraph datasets and six real-world graph datasets, compared to the state-of-the-art methods. Our implementation is available online at https://github.com/MinhZou/UniG-Encoder.
Feature Noise Boosts DNN Generalization under Label Noise
Authors: Lu Zeng, Xuan Chen, Xiaoshuang Shi, Heng Tao Shen
Date: 2023-08-03 00:00:00

The presence of label noise in the training data has a profound impact on the generalization of deep neural networks (DNNs). In this study, we introduce and theoretically demonstrate a simple feature noise method, which directly adds noise to the features of training data, can enhance the generalization of DNNs under label noise. Specifically, we conduct theoretical analyses to reveal that label noise leads to weakened DNN generalization by loosening the PAC-Bayes generalization bound, and feature noise results in better DNN generalization by imposing an upper bound on the mutual information between the model weights and the features, which constrains the PAC-Bayes generalization bound. Furthermore, to ensure effective generalization of DNNs in the presence of label noise, we conduct application analyses to identify the optimal types and levels of feature noise to add for obtaining desirable label noise generalization. Finally, extensive experimental results on several popular datasets demonstrate the feature noise method can significantly enhance the label noise generalization of the state-of-the-art label noise method.
Unsupervised Multiplex Graph Learning with Complementary and Consistent Information
Authors: Liang Peng, Xin Wang, Xiaofeng Zhu
Date: 2023-08-03 00:00:00
Tasks: Graph Learning, Representation Learning

Unsupervised multiplex graph learning (UMGL) has been shown to achieve significant effectiveness for different downstream tasks by exploring both complementary information and consistent information among multiple graphs. However, previous methods usually overlook the issues in practical applications, i.e., the out-of-sample issue and the noise issue. To address the above issues, in this paper, we propose an effective and efficient UMGL method to explore both complementary and consistent information. To do this, our method employs multiple MLP encoders rather than graph convolutional network (GCN) to conduct representation learning with two constraints, i.e., preserving the local graph structure among nodes to handle the out-of-sample issue, and maximizing the correlation of multiple node representations to handle the noise issue. Comprehensive experiments demonstrate that our proposed method achieves superior effectiveness and efficiency over the comparison methods and effectively tackles those two issues. Code is available at https://github.com/LarryUESTC/CoCoMG.
Deep Learning-based surrogate models for parametrized PDEs: handling geometric variability through graph neural networks
Authors: Nicola Rares Franco, Stefania Fresca, Filippo Tombari, Andrea Manzoni
Date: 2023-08-03 00:00:00
Tasks: Computational Efficiency, valid

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In this context, full order models (FOMs), such as those relying on the finite element method, can reach high levels of accuracy, however often yielding intensive simulations to run. For this reason, surrogate models are developed to replace computationally expensive solvers with more efficient ones, which can strike favorable trade-offs between accuracy and efficiency. This work explores the potential usage of graph neural networks (GNNs) for the simulation of time-dependent PDEs in the presence of geometrical variability. In particular, we propose a systematic strategy to build surrogate models based on a data-driven time-stepping scheme where a GNN architecture is used to efficiently evolve the system. With respect to the majority of surrogate models, the proposed approach stands out for its ability of tackling problems with parameter dependent spatial domains, while simultaneously generalizing to different geometries and mesh resolutions. We assess the effectiveness of the proposed approach through a series of numerical experiments, involving both two- and three-dimensional problems, showing that GNNs can provide a valid alternative to traditional surrogate models in terms of computational efficiency and generalization to new scenarios. We also assess, from a numerical standpoint, the importance of using GNNs, rather than classical dense deep neural networks, for the proposed framework.
Adversarial Training of Denoising Diffusion Model Using Dual Discriminators for High-Fidelity Multi-Speaker TTS
Authors: Myeongjin Ko, Yong-Hoon Choi
Date: 2023-08-03 00:00:00
Tasks: Denoising, Speech Synthesis, SSIM

The diffusion model is capable of generating high-quality data through a probabilistic approach. However, it suffers from the drawback of slow generation speed due to the requirement of a large number of time steps. To address this limitation, recent models such as denoising diffusion implicit models (DDIM) focus on generating samples without directly modeling the probability distribution, while models like denoising diffusion generative adversarial networks (GAN) combine diffusion processes with GANs. In the field of speech synthesis, a recent diffusion speech synthesis model called DiffGAN-TTS, utilizing the structure of GANs, has been introduced and demonstrates superior performance in both speech quality and generation speed. In this paper, to further enhance the performance of DiffGAN-TTS, we propose a speech synthesis model with two discriminators: a diffusion discriminator for learning the distribution of the reverse process and a spectrogram discriminator for learning the distribution of the generated data. Objective metrics such as structural similarity index measure (SSIM), mel-cepstral distortion (MCD), F0 root mean squared error (F0 RMSE), short-time objective intelligibility (STOI), perceptual evaluation of speech quality (PESQ), as well as subjective metrics like mean opinion score (MOS), are used to evaluate the performance of the proposed model. The evaluation results show that the proposed model outperforms recent state-of-the-art models such as FastSpeech2 and DiffGAN-TTS in various metrics. Our implementation and audio samples are located on GitHub.