Machine Learning (cs.LG)

Abstract: Assigning importance weights to adversarial data has achieved great success in training adversarially robust networks under limited model capacity. However, existing instance-reweighted adversarial training (AT) methods heavily depend on heuristics and/or geometric interpretations to determine those importance weights, making these algorithms lack rigorous theoretical justification/guarantee. Moreover, recent research has shown that adversarial training suffers from a severe non-uniform robust performance across the training distribution, e.g., data points belonging to some classes can be much more vulnerable to adversarial attacks than others. To address both issues, in this paper, we propose a novel doubly-robust instance reweighted AT framework, which allows to obtain the importance weights via exploring distributionally robust optimization (DRO) techniques, and at the same time boosts the robustness on the most vulnerable examples. In particular, our importance weights are obtained by optimizing the KL-divergence regularized loss function, which allows us to devise new algorithms with a theoretical convergence guarantee. Experiments on standard classification datasets demonstrate that our proposed approach outperforms related state-of-the-art baseline methods in terms of average robust performance, and at the same time improves the robustness against attacks on the weakest data points. Codes will be available soon.

Abstract: Reinforcement Learning can be applied to various tasks, and environments. Many of these environments have a similar shared structure, which can be exploited to improve RL performance on other tasks. Transfer learning can be used to take advantage of this shared structure, by learning policies that are transferable across different tasks and environments and can lead to more efficient learning as well as improved performance on a wide range of tasks. This work explores as well as compares the performance between RL models being trained from the scratch and on different approaches of transfer learning. Additionally, the study explores the performance of a model trained on multiple game environments, with the goal of developing a universal game-playing agent as well as transfer learning a pre-trained encoder using DQN, and training it on the same game or a different game. Our DQN model achieves a mean episode reward of 46.16 which even beats the human-level performance with merely 20k episodes which is significantly lower than deepmind's 1M episodes. The achieved mean rewards of 533.42 and 402.17 on the Assault and Space Invader environments respectively, represent noteworthy performance on these challenging environments.

Abstract: The deep neural network has attained significant efficiency in image recognition. However, it has vulnerable recognition robustness under extensive data uncertainty in practical applications. The uncertainty is attributed to the inevitable ambient noise and, more importantly, the possible adversarial attack. Dynamic methods can effectively improve the defense initiative in the arms race of attack and defense of adversarial examples. Different from the previous dynamic method depend on input or decision, this work explore the dynamic attributes in model level through dynamic ensemble selection technology to further protect the model from white-box attacks and improve the robustness. Specifically, in training phase the Dirichlet distribution is apply as prior of sub-models' predictive distribution, and the diversity constraint in parameter space is introduced under the lightweight sub-models to construct alternative ensembel model spaces. In test phase, the certain sub-models are dynamically selected based on their rank of uncertainty value for the final prediction to ensure the majority accurate principle in ensemble robustness and accuracy. Compared with the previous dynamic method and staic adversarial traning model, the presented approach can achieve significant robustness results without damaging accuracy by combining dynamics and diversity property.

Abstract: Learning the Green's function using deep learning models enables to solve different classes of partial differential equations. A practical limitation of using deep learning for the Green's function is the repeated computationally expensive Monte-Carlo integral approximations. We propose to learn the Green's function by low-rank decomposition, which results in a novel architecture to remove redundant computations by separate learning with domain data for evaluation and Monte-Carlo samples for integral approximation. Using experiments we show that the proposed method improves computational time compared to MOD-Net while achieving comparable accuracy compared to both PINNs and MOD-Net.

Abstract: Traffic flow prediction (TFP) is a fundamental problem of the Intelligent Transportation System (ITS), as it models the latent spatial-temporal dependency of traffic flow for potential congestion prediction. Recent graph-based models with multiple kinds of attention mechanisms have achieved promising performance. However, existing methods for traffic flow prediction tend to inherit the bias pattern from the dataset and lack interpretability. To this end, we propose a Counterfactual Graph Transformer (CGT) model with an instance-level explainer (e.g., finding the important subgraphs) specifically designed for TFP. We design a perturbation mask generator over input sensor features at the time dimension and the graph structure on the graph transformer module to obtain spatial and temporal counterfactual explanations. By searching the optimal perturbation masks on the input data feature and graph structures, we can obtain the concise and dominant data or graph edge links for the subsequent TFP task. After re-training the utilized graph transformer model after counterfactual perturbation, we can obtain improved and interpretable traffic flow prediction. Extensive results on three real-world public datasets show that CGT can produce reliable explanations and is promising for traffic flow prediction.

Abstract: Internet-based services have seen remarkable success, generating vast amounts of monitored key performance indicators (KPIs) as univariate or multivariate time series. Monitoring and analyzing these time series are crucial for researchers, service operators, and on-call engineers to detect outliers or anomalies indicating service failures or significant events. Numerous advanced anomaly detection methods have emerged to address availability and performance issues. This review offers a comprehensive overview of time series anomaly detection in Artificial Intelligence for IT operations (AIOps), which uses AI capabilities to automate and optimize operational workflows. Additionally, it explores future directions for real-world and next-generation time-series anomaly detection based on recent advancements.

Abstract: Patch robustness certification ensures no patch within a given bound on a sample can manipulate a deep learning model to predict a different label. However, existing techniques cannot certify samples that cannot meet their strict bars at the classifier or patch region levels. This paper proposes MajorCert. MajorCert firstly finds all possible label sets manipulatable by the same patch region on the same sample across the underlying classifiers, then enumerates their combinations element-wise, and finally checks whether the majority invariant of all these combinations is intact to certify samples.

Abstract: The zeroth-order optimization has been widely used in machine learning applications. However, the theoretical study of the zeroth-order optimization focus on the algorithms which approximate (first-order) gradients using (zeroth-order) function value difference at a random direction. The theory of algorithms which approximate the gradient and Hessian information by zeroth-order queries is much less studied. In this paper, we focus on the theory of zeroth-order optimization which utilizes both the first-order and second-order information approximated by the zeroth-order queries. We first propose a novel reparameterized objective function with parameters $(\mu, \Sigma)$. This reparameterized objective function achieves its optimum at the minimizer and the Hessian inverse of the original objective function respectively, but with small perturbations. Accordingly, we propose a new algorithm to minimize our proposed reparameterized objective, which we call \texttt{MiNES} (mirror descent natural evolution strategy). We show that the estimated covariance matrix of \texttt{MiNES} converges to the inverse of Hessian matrix of the objective function with a convergence rate $\widetilde{\mathcal{O}}(1/k)$, where $k$ is the iteration number and $\widetilde{\mathcal{O}}(\cdot)$ hides the constant and $\log$ terms. We also provide the explicit convergence rate of \texttt{MiNES} and how the covariance matrix promotes the convergence rate.

Abstract: Models trained with empirical risk minimization (ERM) are known to learn to rely on spurious features, i.e., their prediction is based on undesired auxiliary features which are strongly correlated with class labels but lack causal reasoning. This behavior particularly degrades accuracy in groups of samples of the correlated class that are missing the spurious feature or samples of the opposite class but with the spurious feature present. The recently proposed Deep Feature Reweighting (DFR) method improves accuracy of these worst groups. Based on the main argument that ERM mods can learn core features sufficiently well, DFR only needs to retrain the last layer of the classification model with a small group-balanced data set. In this work, we examine the applicability of DFR to realistic data in the medical domain. Furthermore, we investigate the reasoning behind the effectiveness of last-layer retraining and show that even though DFR has the potential to improve the accuracy of the worst group, it remains susceptible to spurious correlations.

Abstract: Spectral clustering methods are known for their ability to represent clusters of diverse shapes, densities etc. However, results of such algorithms, when applied e.g. to text documents, are hard to explain to the user, especially due to embedding in the spectral space which has no obvious relation to document contents. Therefore there is an urgent need to elaborate methods for explaining the outcome of the clustering. This paper presents a contribution towards this goal. We present a proposal of explanation of results of combinatorial Laplacian based graph spectral clustering. It is based on showing (approximate) equivalence of combinatorial Laplacian embedding, $K$-embedding (proposed in this paper) and term vector space embedding. Hence a bridge is constructed between the textual contents and the clustering results. We provide theoretical background for this approach. We performed experimental study showing that $K$-embedding approximates well Laplacian embedding under favourable block matrix conditions and show that approximation is good enough under other conditions.

Abstract: The physical design process of large-scale designs is a time-consuming task, often requiring hours to days to complete, with routing being the most critical and complex step. As the the complexity of Integrated Circuits (ICs) increases, there is an increased demand for accurate routing quality prediction. Accurate congestion prediction aids in identifying design flaws early on, thereby accelerating circuit design and conserving resources. Despite the advancements in current congestion prediction methodologies, an essential aspect that has been largely overlooked is the spatial label-correlation between different grids in congestion prediction. The spatial label-correlation is a fundamental characteristic of circuit design, where the congestion status of a grid is not isolated but inherently influenced by the conditions of its neighboring grids. In order to fully exploit the inherent spatial label-correlation between neighboring grids, we propose a novel approach, {\ours}, i.e., VAriational Label-Correlation Enhancement for Congestion Prediction, which considers the local label-correlation in the congestion map, associating the estimated congestion value of each grid with a local label-correlation weight influenced by its surrounding grids. {\ours} leverages variational inference techniques to estimate this weight, thereby enhancing the regression model's performance by incorporating spatial dependencies. Experiment results validate the superior effectiveness of {\ours} on the public available \texttt{ISPD2011} and \texttt{DAC2012} benchmarks using the superblue circuit line.

Abstract: Accurate Vehicle Trajectory Prediction is critical for automated vehicles and advanced driver assistance systems. Vehicle trajectory prediction consists of two essential tasks, i.e., longitudinal position prediction and lateral position prediction. There is a significant correlation between driving intentions and vehicle motion. In existing work, the three tasks are often conducted separately without considering the relationships between the longitudinal position, lateral position, and driving intention. In this paper, we propose a novel Temporal Multi-Gate Mixture-of-Experts (TMMOE) model for simultaneously predicting the vehicle trajectory and driving intention. The proposed model consists of three layers: a shared layer, an expert layer, and a fully connected layer. In the model, the shared layer utilizes Temporal Convolutional Networks (TCN) to extract temporal features. Then the expert layer is built to identify different information according to the three tasks. Moreover, the fully connected layer is used to integrate and export prediction results. To achieve better performance, uncertainty algorithm is used to construct the multi-task loss function. Finally, the publicly available CitySim dataset validates the TMMOE model, demonstrating superior performance compared to the LSTM model, achieving the highest classification and regression results. Keywords: Vehicle trajectory prediction, driving intentions Classification, Multi-task

Abstract: Graph Neural Networks (GNNs) have demonstrated promising results on exploiting node representations for many downstream tasks through supervised end-to-end training. To deal with the widespread label scarcity issue in real-world applications, Graph Contrastive Learning (GCL) is leveraged to train GNNs with limited or even no labels by maximizing the mutual information between nodes in its augmented views generated from the original graph. However, the distribution of graphs remains unconsidered in view generation, resulting in the ignorance of unseen edges in most existing literature, which is empirically shown to be able to improve GCL's performance in our experiments. To this end, we propose to incorporate graph generative adversarial networks (GANs) to learn the distribution of views for GCL, in order to i) automatically capture the characteristic of graphs for augmentations, and ii) jointly train the graph GAN model and the GCL model. Specifically, we present GACN, a novel Generative Adversarial Contrastive learning Network for graph representation learning. GACN develops a view generator and a view discriminator to generate augmented views automatically in an adversarial style. Then, GACN leverages these views to train a GNN encoder with two carefully designed self-supervised learning losses, including the graph contrastive loss and the Bayesian personalized ranking Loss. Furthermore, we design an optimization framework to train all GACN modules jointly. Extensive experiments on seven real-world datasets show that GACN is able to generate high-quality augmented views for GCL and is superior to twelve state-of-the-art baseline methods. Noticeably, our proposed GACN surprisingly discovers that the generated views in data augmentation finally conform to the well-known preferential attachment rule in online networks.

Abstract: In this work, we present a machine learning approach for predicting early dropouts of an active and healthy ageing app. The presented algorithms have been submitted to the IFMBE Scientific Challenge 2022, part of IUPESM WC 2022. We have processed the given database and generated seven datasets. We used pre-processing techniques to construct classification models that predict the adherence of users using dynamic and static features. We submitted 11 official runs and our results show that machine learning algorithms can provide high-quality adherence predictions. Based on the results, the dynamic features positively influence a model's classification performance. Due to the imbalanced nature of the dataset, we employed oversampling methods such as SMOTE and ADASYN to improve the classification performance. The oversampling approaches led to a remarkable improvement of 10\%. Our methods won first place in the IFMBE Scientific Challenge 2022.

Abstract: Instance-wise feature selection and ranking methods can achieve a good selection of task-friendly features for each sample in the context of neural networks. However, existing approaches that assume feature subsets to be independent are imperfect when considering the dependency between features. To address this limitation, we propose to incorporate the Gaussian copula, a powerful mathematical technique for capturing correlations between variables, into the current feature selection framework with no additional changes needed. Experimental results on both synthetic and real datasets, in terms of performance comparison and interpretability, demonstrate that our method is capable of capturing meaningful correlations.

Abstract: Many approaches for optimizing decision making systems rely on gradient based methods requiring informative feedback from the environment. However, in the case where such feedback is sparse or uninformative, such approaches may result in poor performance. Derivative-free approaches such as Bayesian Optimization mitigate the dependency on the quality of gradient feedback, but are known to scale poorly in the high-dimension setting of complex decision making systems. This problem is exacerbated if the system requires interactions between several actors cooperating to accomplish a shared goal. To address the dimensionality challenge, we propose a compact multi-layered architecture modeling the dynamics of actor interactions through the concept of role. Additionally, we introduce Hessian-aware Bayesian Optimization to efficiently optimize the multi-layered architecture parameterized by a large number of parameters. Experimental results demonstrate that our method (HA-GP-UCB) works effectively on several benchmarks under resource constraints and malformed feedback settings.

Abstract: Recent works have widely adopted large language model pretraining for source code, suggested source code-specific pretraining objectives and investigated the applicability of various Transformer-based language model architectures for source code. This work investigates another important aspect of such models, namely the effect of different subtokenization options, and aims at identifying most effective and length-efficient subtokenizations, taking into account code specifics. We propose subtokenziation that reduces average length by 17% without downstream performance drop, and show that a carefully chosen subtokenization may improve quality by 0.5-2%, possibly with some length increase.

Abstract: Hyperdimensional computing (HDC) is an emerging computing paradigm that imitates the brain's structure to offer a powerful and efficient processing and learning model. In HDC, the data are encoded with long vectors, called hypervectors, typically with a length of 1K to 10K. The literature provides several encoding techniques to generate orthogonal or correlated hypervectors, depending on the intended application. The existing surveys in the literature often focus on the overall aspects of HDC systems, including system inputs, primary computations, and final outputs. However, this study takes a more specific approach. It zeroes in on the HDC system input and the generation of hypervectors, directly influencing the hypervector encoding process. This survey brings together various methods for hypervector generation from different studies and explores the limitations, challenges, and potential benefits they entail. Through a comprehensive exploration of this survey, readers will acquire a profound understanding of various encoding types in HDC and gain insights into the intricate process of hypervector generation for diverse applications.