Machine Learning (cs.LG)

Abstract: Cross-silo privacy-preserving federated learning (PPFL) is a powerful tool to collaboratively train robust and generalized machine learning (ML) models without sharing sensitive (e.g., healthcare of financial) local data. To ease and accelerate the adoption of PPFL, we introduce APPFLx, a ready-to-use platform that provides privacy-preserving cross-silo federated learning as a service. APPFLx employs Globus authentication to allow users to easily and securely invite trustworthy collaborators for PPFL, implements several synchronous and asynchronous FL algorithms, streamlines the FL experiment launch process, and enables tracking and visualizing the life cycle of FL experiments, allowing domain experts and ML practitioners to easily orchestrate and evaluate cross-silo FL under one platform. APPFLx is available online at https://appflx.link

Abstract: Tipping points are abrupt, drastic, and often irreversible changes in the evolution of non-stationary and chaotic dynamical systems. For instance, increased greenhouse gas concentrations are predicted to lead to drastic decreases in low cloud cover, referred to as a climatological tipping point. In this paper, we learn the evolution of such non-stationary dynamical systems using a novel recurrent neural operator (RNO), which learns mappings between function spaces. After training RNO on only the pre-tipping dynamics, we employ it to detect future tipping points using an uncertainty-based approach. In particular, we propose a conformal prediction framework to forecast tipping points by monitoring deviations from physics constraints (such as conserved quantities and partial differential equations), enabling forecasting of these abrupt changes along with a rigorous measure of uncertainty. We illustrate our proposed methodology on non-stationary ordinary and partial differential equations, such as the Lorenz-63 and Kuramoto-Sivashinsky equations. We also apply our methods to forecast a climate tipping point in stratocumulus cloud cover. In our experiments, we demonstrate that even partial or approximate physics constraints can be used to accurately forecast future tipping points.

Abstract: Symbolic regression with polynomial neural networks and polynomial neural ordinary differential equations (ODEs) are two recent and powerful approaches for equation recovery of many science and engineering problems. However, these methods provide point estimates for the model parameters and are currently unable to accommodate noisy data. We address this challenge by developing and validating the following Bayesian inference methods: the Laplace approximation, Markov Chain Monte Carlo (MCMC) sampling methods, and variational inference. We have found the Laplace approximation to be the best method for this class of problems. Our work can be easily extended to the broader class of symbolic neural networks to which the polynomial neural network belongs.

Abstract: Graph Active Learning (GAL), which aims to find the most informative nodes in graphs for annotation to maximize the Graph Neural Networks (GNNs) performance, has attracted many research efforts but remains non-trivial challenges. One major challenge is that existing GAL strategies may introduce semantic confusion to the selected training set, particularly when graphs are noisy. Specifically, most existing methods assume all aggregating features to be helpful, ignoring the semantically negative effect between inter-class edges under the message-passing mechanism. In this work, we present Semantic-aware Active learning framework for Graphs (SAG) to mitigate the semantic confusion problem. Pairwise similarities and dissimilarities of nodes with semantic features are introduced to jointly evaluate the node influence. A new prototype-based criterion and query policy are also designed to maintain diversity and class balance of the selected nodes, respectively. Extensive experiments on the public benchmark graphs and a real-world financial dataset demonstrate that SAG significantly improves node classification performances and consistently outperforms previous methods. Moreover, comprehensive analysis and ablation study also verify the effectiveness of the proposed framework.

Abstract: A learner aims to minimize a function $f$ by repeatedly querying a distributed oracle that provides noisy gradient evaluations. At the same time, the learner seeks to hide $\arg\min f$ from a malicious eavesdropper that observes the learner's queries. This paper considers the problem of \textit{covert} or \textit{learner-private} optimization, where the learner has to dynamically choose between learning and obfuscation by exploiting the stochasticity. The problem of controlling the stochastic gradient algorithm for covert optimization is modeled as a Markov decision process, and we show that the dynamic programming operator has a supermodular structure implying that the optimal policy has a monotone threshold structure. A computationally efficient policy gradient algorithm is proposed to search for the optimal querying policy without knowledge of the transition probabilities. As a practical application, our methods are demonstrated on a hate speech classification task in a federated setting where an eavesdropper can use the optimal weights to generate toxic content, which is more easily misclassified. Numerical results show that when the learner uses the optimal policy, an eavesdropper can only achieve a validation accuracy of $52\%$ with no information and $69\%$ when it has a public dataset with 10\% positive samples compared to $83\%$ when the learner employs a greedy policy.

Abstract: The problem of two-player zero-sum Markov games has recently attracted increasing interests in theoretical studies of multi-agent reinforcement learning (RL). In particular, for finite-horizon episodic Markov decision processes (MDPs), it has been shown that model-based algorithms can find an $\epsilon$-optimal Nash Equilibrium (NE) with the sample complexity of $O(H^3SAB/\epsilon^2)$, which is optimal in the dependence of the horizon $H$ and the number of states $S$ (where $A$ and $B$ denote the number of actions of the two players, respectively). However, none of the existing model-free algorithms can achieve such an optimality. In this work, we propose a model-free stage-based Q-learning algorithm and show that it achieves the same sample complexity as the best model-based algorithm, and hence for the first time demonstrate that model-free algorithms can enjoy the same optimality in the $H$ dependence as model-based algorithms. The main improvement of the dependency on $H$ arises by leveraging the popular variance reduction technique based on the reference-advantage decomposition previously used only for single-agent RL. However, such a technique relies on a critical monotonicity property of the value function, which does not hold in Markov games due to the update of the policy via the coarse correlated equilibrium (CCE) oracle. Thus, to extend such a technique to Markov games, our algorithm features a key novel design of updating the reference value functions as the pair of optimistic and pessimistic value functions whose value difference is the smallest in the history in order to achieve the desired improvement in the sample efficiency.

Abstract: Semi-supervised learning (SSL) tackles the label missing problem by enabling the effective usage of unlabeled data. While existing SSL methods focus on the traditional setting, a practical and challenging scenario called label Missing Not At Random (MNAR) is usually ignored. In MNAR, the labeled and unlabeled data fall into different class distributions resulting in biased label imputation, which deteriorates the performance of SSL models. In this work, class transition tracking based Pseudo-Rectifying Guidance (PRG) is devised for MNAR. We explore the class-level guidance information obtained by the Markov random walk, which is modeled on a dynamically created graph built over the class tracking matrix. PRG unifies the historical information of class distribution and class transitions caused by the pseudo-rectifying procedure to maintain the model's unbiased enthusiasm towards assigning pseudo-labels to all classes, so as the quality of pseudo-labels on both popular classes and rare classes in MNAR could be improved. Finally, we show the superior performance of PRG across a variety of MNAR scenarios, outperforming the latest SSL approaches combining bias removal solutions by a large margin. Code and model weights are available at https://github.com/NJUyued/PRG4SSL-MNAR.

Abstract: In this work, a new data-free framework called Feature Enforcing Physics Informed Neural Network (FE-PINN) is introduced. This framework is capable of learning the underlying pattern of any problem with low computational cost before the main training loop. The loss function of vanilla PINN due to the existence of two terms of partial differential residuals and boundary condition mean squared error is imbalanced. FE-PINN solves this challenge with just one minute of training instead of time-consuming hyperparameter tuning for loss function that can take hours. The FE-PINN accomplishes this process by performing a sequence of sub-tasks. The first sub-task learns useful features about the underlying physics. Then, the model trains on the target task to refine the calculations. FE-PINN is applied to three benchmarks, flow over a cylinder, 2D heat conduction, and an inverse problem of calculating inlet velocity. FE-PINN can solve each case with, 15x, 2x, and 5x speed up accordingly. Another advantage of FE-PINN is that reaching lower order of value for loss function is systematically possible. In this study, it was possible to reach a loss value near 1e-5 which is challenging for vanilla PINN. FE-PINN also has a smooth convergence process which allows for utilizing higher learning rates in comparison to vanilla PINN. This framework can be used as a fast, accurate tool for solving a wide range of Partial Differential Equations (PDEs) across various fields.

Abstract: Inspired by Gauss-Newton-like methods, we study the benefit of leveraging the structure of deep learning objectives, namely, the composition of a convex loss function and of a nonlinear network, in order to derive better direction oracles than stochastic gradients, based on the idea of partial linearization. In a departure from previous works, we propose to compute such direction oracles via their dual formulation, leading to both computational benefits and new insights. We demonstrate that the resulting oracles define descent directions that can be used as a drop-in replacement for stochastic gradients, in existing optimization algorithms. We empirically study the advantage of using the dual formulation as well as the computational trade-offs involved in the computation of such oracles.

Abstract: Split learning (SL) has emerged as a promising approach for model training without revealing the raw data samples from the data owners. However, traditional SL inevitably leaks label privacy as the tail model (with the last layers) should be placed on the server. To overcome this limitation, one promising solution is to utilize U-shaped architecture to leave both early layers and last layers on the user side. In this paper, we develop a novel parallel U-shaped split learning and devise the optimal resource optimization scheme to improve the performance of edge networks. In the proposed framework, multiple users communicate with an edge server for SL. We analyze the end-to-end delay of each client during the training process and design an efficient resource allocation algorithm, called LSCRA, which finds the optimal computing resource allocation and split layers. Our experimental results show the effectiveness of LSCRA and that U-shaped PSL can achieve a similar performance with other SL baselines while preserving label privacy. Index Terms: U-shaped network, split learning, label privacy, resource allocation, 5G/6G edge networks.

Abstract: Pain is a complex concept that can interconnect with other concepts such as a disorder that might cause pain, a medication that might relieve pain, and so on. To fully understand the context of pain experienced by either an individual or across a population, we may need to examine all concepts related to pain and the relationships between them. This is especially useful when modeling pain that has been recorded in electronic health records. Knowledge graphs represent concepts and their relations by an interlinked network, enabling semantic and context-based reasoning in a computationally tractable form. These graphs can, however, be too large for efficient computation. Knowledge graph embeddings help to resolve this by representing the graphs in a low-dimensional vector space. These embeddings can then be used in various downstream tasks such as classification and link prediction. The various relations associated with pain which are required to construct such a knowledge graph can be obtained from external medical knowledge bases such as SNOMED CT, a hierarchical systematic nomenclature of medical terms. A knowledge graph built in this way could be further enriched with real-world examples of pain and its relations extracted from electronic health records. This paper describes the construction of such knowledge graph embedding models of pain concepts, extracted from the unstructured text of mental health electronic health records, combined with external knowledge created from relations described in SNOMED CT, and their evaluation on a subject-object link prediction task. The performance of the models was compared with other baseline models.

Abstract: Massive key performance indicators (KPIs) are monitored as multivariate time series data (MTS) to ensure the reliability of the software applications and service system. Accurately detecting the abnormality of MTS is very critical for subsequent fault elimination. The scarcity of anomalies and manual labeling has led to the development of various self-supervised MTS anomaly detection (AD) methods, which optimize an overall objective/loss encompassing all metrics' regression objectives/losses. However, our empirical study uncovers the prevalence of conflicts among metrics' regression objectives, causing MTS models to grapple with different losses. This critical aspect significantly impacts detection performance but has been overlooked in existing approaches. To address this problem, by mimicking the design of multi-gate mixture-of-experts (MMoE), we introduce CAD, a Conflict-aware multivariate KPI Anomaly Detection algorithm. CAD offers an exclusive structure for each metric to mitigate potential conflicts while fostering inter-metric promotions. Upon thorough investigation, we find that the poor performance of vanilla MMoE mainly comes from the input-output misalignment settings of MTS formulation and convergence issues arising from expansive tasks. To address these challenges, we propose a straightforward yet effective task-oriented metric selection and p&s (personalized and shared) gating mechanism, which establishes CAD as the first practicable multi-task learning (MTL) based MTS AD model. Evaluations on multiple public datasets reveal that CAD obtains an average F1-score of 0.943 across three public datasets, notably outperforming state-of-the-art methods. Our code is accessible at https://github.com/dawnvince/MTS_CAD.

Abstract: Market making (MM) has attracted significant attention in financial trading owing to its essential function in ensuring market liquidity. With strong capabilities in sequential decision-making, Reinforcement Learning (RL) technology has achieved remarkable success in quantitative trading. Nonetheless, most existing RL-based MM methods focus on optimizing single-price level strategies which fail at frequent order cancellations and loss of queue priority. Strategies involving multiple price levels align better with actual trading scenarios. However, given the complexity that multi-price level strategies involves a comprehensive trading action space, the challenge of effectively training profitable RL agents for MM persists. Inspired by the efficient workflow of professional human market makers, we propose Imitative Market Maker (IMM), a novel RL framework leveraging both knowledge from suboptimal signal-based experts and direct policy interactions to develop multi-price level MM strategies efficiently. The framework start with introducing effective state and action representations adept at encoding information about multi-price level orders. Furthermore, IMM integrates a representation learning unit capable of capturing both short- and long-term market trends to mitigate adverse selection risk. Subsequently, IMM formulates an expert strategy based on signals and trains the agent through the integration of RL and imitation learning techniques, leading to efficient learning. Extensive experimental results on four real-world market datasets demonstrate that IMM outperforms current RL-based market making strategies in terms of several financial criteria. The findings of the ablation study substantiate the effectiveness of the model components.

Abstract: Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been determined through theoretical calculations and simulations. However, it is not practical to perform such calculations on every single candidate material. Recently, a combination method of the theoretical calculation and machine learning has emerged, that involves training machine learning models on a subset of theoretical calculation results to construct a surrogate model that can be applied to the remaining materials. On the other hand, a technique called pre-training is used to improve the accuracy of machine learning models. Pre-training involves training the model on pretext task, which is different from the target task, before training the model on the target task. This process aims to extract the input data features, stabilizing the learning process and improving its accuracy. However, in the case of molecular property prediction, there is a strong imbalance in the distribution of input data and features, which may lead to biased learning towards frequently occurring data during pre-training. In this study, we propose an effective pre-training method that addresses the imbalance in input data. We aim to improve the final accuracy by modifying the loss function of the existing representative pre-training method, node masking, to compensate the imbalance. We have investigated and assessed the impact of our proposed imbalance compensation on pre-training and the final prediction accuracy through experiments and evaluations using benchmark of molecular property prediction models.

Abstract: Wildfire forecasting problems usually rely on complex grid-based mathematical models, mostly involving Computational fluid dynamics(CFD) and Celluar Automata, but these methods have always been computationally expensive and difficult to deliver a fast decision pattern. In this paper, we provide machine learning based approaches that solve the problem of high computational effort and time consumption. This paper predicts the burning duration of a known wildfire by RF(random forest), KNN, and XGBoost regression models and also image-based, like CNN and Encoder. Model inputs are based on the map of landscape features provided by satellites and the corresponding historical fire data in this area. This model is trained by happened fire data and landform feature maps and tested with the most recent real value in the same area. By processing the input differently to obtain the optimal outcome, the system is able to make fast and relatively accurate future predictions based on landscape images of known fires.

Abstract: As responsible AI gains importance in machine learning algorithms, properties such as fairness, adversarial robustness, and causality have received considerable attention in recent years. However, despite their individual significance, there remains a critical gap in simultaneously exploring and integrating these properties. In this paper, we propose a novel approach that examines the relationship between individual fairness, adversarial robustness, and structural causal models in heterogeneous data spaces, particularly when dealing with discrete sensitive attributes. We use causal structural models and sensitive attributes to create a fair metric and apply it to measure semantic similarity among individuals. By introducing a novel causal adversarial perturbation and applying adversarial training, we create a new regularizer that combines individual fairness, causality, and robustness in the classifier. Our method is evaluated on both real-world and synthetic datasets, demonstrating its effectiveness in achieving an accurate classifier that simultaneously exhibits fairness, adversarial robustness, and causal awareness.

Abstract: Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation learning. However, these approaches essentially produce black-box models, in the form of deep neural networks, precluding users from following the logic behind the model predictions. We propose an approach, called IGNNet (Interpretable Graph Neural Network for tabular data), which constrains the learning algorithm to produce an interpretable model, where the model shows how the predictions are exactly computed from the original input features. A large-scale empirical investigation is presented, showing that IGNNet is performing on par with state-of-the-art machine-learning algorithms that target tabular data, including XGBoost, Random Forests, and TabNet. At the same time, the results show that the explanations obtained from IGNNet are aligned with the true Shapley values of the features without incurring any additional computational overhead.

Abstract: Feature attribution methods attempt to explain neural network predictions by identifying relevant features. However, establishing a cohesive framework for assessing feature attribution remains a challenge. There are several views through which we can evaluate attributions. One principal lens is to observe the effect of perturbing attributed features on the model's behavior (i.e., faithfulness). While providing useful insights, existing faithfulness evaluations suffer from shortcomings that we reveal in this paper. In this work, we propose two new perspectives within the faithfulness paradigm that reveal intuitive properties: soundness and completeness. Soundness assesses the degree to which attributed features are truly predictive features, while completeness examines how well the resulting attribution reveals all the predictive features. The two perspectives are based on a firm mathematical foundation and provide quantitative metrics that are computable through efficient algorithms. We apply these metrics to mainstream attribution methods, offering a novel lens through which to analyze and compare feature attribution methods.

Abstract: Restless multi-armed bandits (RMABs) are a popular framework for algorithmic decision making in sequential settings with limited resources. RMABs are increasingly being used for sensitive decisions such as in public health, treatment scheduling, anti-poaching, and -- the motivation for this work -- digital health. For such high stakes settings, decisions must both improve outcomes and prevent disparities between groups (e.g., ensure health equity). We study equitable objectives for RMABs (ERMABs) for the first time. We consider two equity-aligned objectives from the fairness literature, minimax reward and max Nash welfare. We develop efficient algorithms for solving each -- a water filling algorithm for the former, and a greedy algorithm with theoretically motivated nuance to balance disparate group sizes for the latter. Finally, we demonstrate across three simulation domains, including a new digital health model, that our approaches can be multiple times more equitable than the current state of the art without drastic sacrifices to utility. Our findings underscore our work's urgency as RMABs permeate into systems that impact human and wildlife outcomes. Code is available at https://github.com/google-research/socialgood/tree/equitable-rmab

Abstract: Contrastive graph node clustering via learnable data augmentation is a hot research spot in the field of unsupervised graph learning. The existing methods learn the sampling distribution of a pre-defined augmentation to generate data-driven augmentations automatically. Although promising clustering performance has been achieved, we observe that these strategies still rely on pre-defined augmentations, the semantics of the augmented graph can easily drift. The reliability of the augmented view semantics for contrastive learning can not be guaranteed, thus limiting the model performance. To address these problems, we propose a novel CONtrastiVe Graph ClustEring network with Reliable AugmenTation (COVERT). Specifically, in our method, the data augmentations are processed by the proposed reversible perturb-recover network. It distills reliable semantic information by recovering the perturbed latent embeddings. Moreover, to further guarantee the reliability of semantics, a novel semantic loss is presented to constrain the network via quantifying the perturbation and recovery. Lastly, a label-matching mechanism is designed to guide the model by clustering information through aligning the semantic labels and the selected high-confidence clustering pseudo labels. Extensive experimental results on seven datasets demonstrate the effectiveness of the proposed method. We release the code and appendix of CONVERT at https://github.com/xihongyang1999/CONVERT on GitHub.

Abstract: Traffic forecasting is a critical service in Intelligent Transportation Systems (ITS). Utilizing deep models to tackle this task relies heavily on data from traffic sensors or vehicle devices, while some cities might lack device support and thus have few available data. So, it is necessary to learn from data-rich cities and transfer the knowledge to data-scarce cities in order to improve the performance of traffic forecasting. To address this problem, we propose a cross-city few-shot traffic forecasting framework via Traffic Pattern Bank (TPB) due to that the traffic patterns are similar across cities. TPB utilizes a pre-trained traffic patch encoder to project raw traffic data from data-rich cities into high-dimensional space, from which a traffic pattern bank is generated through clustering. Then, the traffic data of the data-scarce city could query the traffic pattern bank and explicit relations between them are constructed. The metaknowledge is aggregated based on these relations and an adjacency matrix is constructed to guide a downstream spatial-temporal model in forecasting future traffic. The frequently used meta-training framework Reptile is adapted to find a better initial parameter for the learnable modules. Experiments on real-world traffic datasets show that TPB outperforms existing methods and demonstrates the effectiveness of our approach in cross-city few-shot traffic forecasting.

Abstract: A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.

Abstract: Back-propagation (BP) is widely used learning algorithm for neural network optimization. However, BP requires enormous computation cost and is too slow to train in central processing unit (CPU). Therefore current neural network optimizaiton is performed in graphical processing unit (GPU) with compute unified device architecture (CUDA) programming. In this paper, we propose a light, fast learning algorithm on CPU that is fast as CUDA acceleration on GPU. This algorithm is based on forward-propagating method, using concept of dual number in algebraic geometry.

Abstract: Emotions play a significant role in the cognitive processes of the human brain, such as decision making, learning and perception. The use of physiological signals has shown to lead to more objective, reliable and accurate emotion recognition combined with raising machine learning methods. Supervised learning methods have dominated the attention of the research community, but the challenge in collecting needed labels makes emotion recognition difficult in large-scale semi- or uncontrolled experiments. Unsupervised methods are increasingly being explored, however sub-optimal signal feature selection and label identification challenges unsupervised methods' accuracy and applicability. This article proposes an unsupervised deep cluster framework for emotion recognition from physiological and psychological data. Tests on the open benchmark data set WESAD show that deep k-means and deep c-means distinguish the four quadrants of Russell's circumplex model of affect with an overall accuracy of 87%. Seeding the clusters with the subject's subjective assessments helps to circumvent the need for labels.

Abstract: In this work, we propose trait-based merge trees a generalization of merge trees to feature level sets, targeting the analysis of tensor field or general multi-variate data. For this, we employ the notion of traits defined in attribute space as introduced in the feature level sets framework. The resulting distance field in attribute space induces a scalar field in the spatial domain that serves as input for topological data analysis. The leaves in the merge tree represent those areas in the input data that are closest to the defined trait and thus most closely resemble the defined feature. Hence, the merge tree yields a hierarchy of features that allows for querying the most relevant and persistent features. The presented method includes different query methods for the tree which enable the highlighting of different aspects. We demonstrate the cross-application capabilities of this approach with three case studies from different domains.

Abstract: Dairy farming is a particularly energy-intensive part of the agriculture sector. Effective battery management is essential for renewable integration within the agriculture sector. However, controlling battery charging/discharging is a difficult task due to electricity demand variability, stochasticity of renewable generation, and energy price fluctuations. Despite the potential benefits of applying Artificial Intelligence (AI) to renewable energy in the context of dairy farming, there has been limited research in this area. This research is a priority for Ireland as it strives to meet its governmental goals in energy and sustainability. This research paper utilizes Q-learning to learn an effective policy for charging and discharging a battery within a dairy farm setting. The results demonstrate that the developed policy significantly reduces electricity costs compared to the established baseline algorithm. These findings highlight the effectiveness of reinforcement learning for battery management within the dairy farming sector.

Abstract: Uplift modeling is a collection of machine learning techniques for estimating causal effects of a treatment at the individual or subgroup levels. Over the last years, causality and uplift modeling have become key trends in personalization at online e-commerce platforms, enabling the selection of the best treatment for each user in order to maximize the target business metric. Uplift modeling can be particularly useful for personalized promotional campaigns, where the potential benefit caused by a promotion needs to be weighed against the potential costs. In this tutorial we will cover basic concepts of causality and introduce the audience to state-of-the-art techniques in uplift modeling. We will discuss the advantages and the limitations of different approaches and dive into the unique setup of constrained uplift modeling. Finally, we will present real-life applications and discuss challenges in implementing these models in production.

Abstract: Federated learning (FL) has emerged as an appealing machine learning approach to deal with massive raw data generated at multiple mobile devices, {which needs to aggregate the training model parameter of every mobile device at one base station (BS) iteratively}. For parameter aggregating in FL, over-the-air computation is a spectrum-efficient solution, which allows all mobile devices to transmit their parameter-mapped signals concurrently to a BS. Due to heterogeneous channel fading and noise, there exists difference between the BS's received signal and its desired signal, measured as the mean-squared error (MSE). To minimize the MSE, we propose to jointly optimize the signal amplification factors at the BS and the mobile devices as well as the data size (the number of data samples involved in local training) at every mobile device. The formulated problem is challenging to solve due to its non-convexity. To find the optimal solution, with some simplification on cost function and variable replacement, which still preserves equivalence, we transform the changed problem to be a bi-level problem equivalently. For the lower-level problem, optimal solution is found by enumerating every candidate solution from the Karush-Kuhn-Tucker (KKT) condition. For the upper-level problem, the optimal solution is found by exploring its piecewise convexity. Numerical results show that our proposed method can greatly reduce the MSE and can help to improve the training performance of FL compared with benchmark methods.

Abstract: Conditional sampling of variational autoencoders (VAEs) is needed in various applications, such as missing data imputation, but is computationally intractable. A principled choice for asymptotically exact conditional sampling is Metropolis-within-Gibbs (MWG). However, we observe that the tendency of VAEs to learn a structured latent space, a commonly desired property, can cause the MWG sampler to get "stuck" far from the target distribution. This paper mitigates the limitations of MWG: we systematically outline the pitfalls in the context of VAEs, propose two original methods that address these pitfalls, and demonstrate an improved performance of the proposed methods on a set of sampling tasks.

Abstract: Over-the-air computation is a communication-efficient solution for federated learning (FL). In such a system, iterative procedure is performed: Local gradient of private loss function is updated, amplified and then transmitted by every mobile device; the server receives the aggregated gradient all-at-once, generates and then broadcasts updated model parameters to every mobile device. In terms of amplification factor selection, most related works suppose the local gradient's maximal norm always happens although it actually fluctuates over iterations, which may degrade convergence performance. To circumvent this problem, we propose to turn local gradient to be normalized one before amplifying it. Under our proposed method, when the loss function is smooth, we prove our proposed method can converge to stationary point at sub-linear rate. In case of smooth and strongly convex loss function, we prove our proposed method can achieve minimal training loss at linear rate with any small positive tolerance. Moreover, a tradeoff between convergence rate and the tolerance is discovered. To speedup convergence, problems optimizing system parameters are also formulated for above two cases. Although being non-convex, optimal solution with polynomial complexity of the formulated problems are derived. Experimental results show our proposed method can outperform benchmark methods on convergence performance.

Abstract: We propose an extension of the Contextual Graph Markov Model, a deep and probabilistic machine learning model for graphs, to model the distribution of edge features. Our approach is architectural, as we introduce an additional Bayesian network mapping edge features into discrete states to be used by the original model. In doing so, we are also able to build richer graph representations even in the absence of edge features, which is confirmed by the performance improvements on standard graph classification benchmarks. Moreover, we successfully test our proposal in a graph regression scenario where edge features are of fundamental importance, and we show that the learned edge representation provides substantial performance improvements against the original model on three link prediction tasks. By keeping the computational complexity linear in the number of edges, the proposed model is amenable to large-scale graph processing.

Abstract: The rapid expansion of foundation pre-trained models and their fine-tuned counterparts has significantly contributed to the advancement of machine learning. Leveraging pre-trained models to extract knowledge and expedite learning in real-world tasks, known as "Model Reuse", has become crucial in various applications. Previous research focuses on reusing models within a certain aspect, including reusing model weights, structures, and hypothesis spaces. This paper introduces ZhiJian, a comprehensive and user-friendly toolbox for model reuse, utilizing the PyTorch backend. ZhiJian presents a novel paradigm that unifies diverse perspectives on model reuse, encompassing target architecture construction with PTM, tuning target model with PTM, and PTM-based inference. This empowers deep learning practitioners to explore downstream tasks and identify the complementary advantages among different methods. ZhiJian is readily accessible at https://github.com/zhangyikaii/lamda-zhijian facilitating seamless utilization of pre-trained models and streamlining the model reuse process for researchers and developers.

Abstract: In this paper, we introduce the transition-based feature generator (TFGen) technique, which reads general activity data with attributes and generates step-by-step generated data. The activity data may consist of network activity from packets, system calls from processes or classified activity from surveillance cameras. TFGen processes data online and will generate data with encoded historical data for each incoming activity with high computational efficiency. The input activities may concurrently originate from distinct traces or channels. The technique aims to address issues such as domain-independent applicability, the ability to discover global process structures, the encoding of time-series data, and online processing capability.

Abstract: We consider monotone variational inequality (VI) problems in multi-GPU settings where multiple processors/workers/clients have access to local stochastic dual vectors. This setting includes a broad range of important problems from distributed convex minimization to min-max and games. Extra-gradient, which is a de facto algorithm for monotone VI problems, has not been designed to be communication-efficient. To this end, we propose a quantized generalized extra-gradient (Q-GenX), which is an unbiased and adaptive compression method tailored to solve VIs. We provide an adaptive step-size rule, which adapts to the respective noise profiles at hand and achieve a fast rate of ${\mathcal O}(1/T)$ under relative noise, and an order-optimal ${\mathcal O}(1/\sqrt{T})$ under absolute noise and show distributed training accelerates convergence. Finally, we validate our theoretical results by providing real-world experiments and training generative adversarial networks on multiple GPUs.

Abstract: Imitation learning methods are used to infer a policy in a Markov decision process from a dataset of expert demonstrations by minimizing a divergence measure between the empirical state occupancy measures of the expert and the policy. The guiding signal to the policy is provided by the discriminator used as part of an versarial optimization procedure. We observe that this model is prone to absorbing spurious correlations present in the expert data. To alleviate this issue, we propose to use causal invariance as a regularization principle for adversarial training of these models. The regularization objective is applicable in a straightforward manner to existing adversarial imitation frameworks. We demonstrate the efficacy of the regularized formulation in an illustrative two-dimensional setting as well as a number of high-dimensional robot locomotion benchmark tasks.

Abstract: Message passing neural networks have shown a lot of success on graph-structured data. However, there are many instances where message passing can lead to over-smoothing or fail when neighboring nodes belong to different classes. In this work, we introduce a simple yet general framework for improving learning in message passing neural networks. Our approach essentially upsamples edges in the original graph by adding "slow nodes" at each edge that can mediate communication between a source and a target node. Our method only modifies the input graph, making it plug-and-play and easy to use with existing models. To understand the benefits of slowing down message passing, we provide theoretical and empirical analyses. We report results on several supervised and self-supervised benchmarks, and show improvements across the board, notably in heterophilic conditions where adjacent nodes are more likely to have different labels. Finally, we show how our approach can be used to generate augmentations for self-supervised learning, where slow nodes are randomly introduced into different edges in the graph to generate multi-scale views with variable path lengths.

Abstract: It is shown that a class of optical physical unclonable functions (PUFs) can be learned to arbitrary precision with arbitrarily high probability, even in the presence of noise, given access to polynomially many challenge-response pairs and polynomially bounded computational power, under mild assumptions about the distributions of the noise and challenge vectors. This extends the results of Rh\"uramir et al. (2013), who showed a subset of this class of PUFs to be learnable in polynomial time in the absence of noise, under the assumption that the optics of the PUF were either linear or had negligible nonlinear effects. We derive polynomial bounds for the required number of samples and the computational complexity of a linear regression algorithm, based on size parameters of the PUF, the distributions of the challenge and noise vectors, and the probability and accuracy of the regression algorithm, with a similar analysis to one done by Bootle et al. (2018), who demonstrated a learning attack on a poorly implemented version of the Learning With Errors problem.

Abstract: Training deep neural networks using backpropagation is very memory and computationally intensive. This makes it difficult to run on-device learning or fine-tune neural networks on tiny, embedded devices such as low-power micro-controller units (MCUs). Sparse backpropagation algorithms try to reduce the computational load of on-device learning by training only a subset of the weights and biases. Existing approaches use a static number of weights to train. A poor choice of this so-called backpropagation ratio limits either the computational gain or can lead to severe accuracy losses. In this paper we present TinyProp, the first sparse backpropagation method that dynamically adapts the back-propagation ratio during on-device training for each training step. TinyProp induces a small calculation overhead to sort the elements of the gradient, which does not significantly impact the computational gains. TinyProp works particularly well on fine-tuning trained networks on MCUs, which is a typical use case for embedded applications. For typical datasets from three datasets MNIST, DCASE2020 and CIFAR10, we are 5 times faster compared to non-sparse training with an accuracy loss of on average 1%. On average, TinyProp is 2.9 times faster than existing, static sparse backpropagation algorithms and the accuracy loss is reduced on average by 6 % compared to a typical static setting of the back-propagation ratio.