Machine Learning (cs.LG)

Abstract: In this paper, we measure the linear separability of hidden layer outputs to study the characteristics of deep neural networks. In particular, we first propose Minkowski difference based linear separability measures (MD-LSMs) to evaluate the linear separability degree of two points sets. Then, we demonstrate that there is a synchronicity between the linear separability degree of hidden layer outputs and the network training performance, i.e., if the updated weights can enhance the linear separability degree of hidden layer outputs, the updated network will achieve a better training performance, and vice versa. Moreover, we study the effect of activation function and network size (including width and depth) on the linear separability of hidden layers. Finally, we conduct the numerical experiments to validate our findings on some popular deep networks including multilayer perceptron (MLP), convolutional neural network (CNN), deep belief network (DBN), ResNet, VGGNet, AlexNet, vision transformer (ViT) and GoogLeNet.

Abstract: Generative Adversarial Networks (GAN) have emerged as a formidable AI tool to generate realistic outputs based on training datasets. However, the challenge of exerting control over the generation process of GANs remains a significant hurdle. In this paper, we propose a novel methodology to address this issue by integrating a reinforcement learning (RL) agent with a latent-space GAN (l-GAN), thereby facilitating the generation of desired outputs. More specifically, we have developed an actor-critic RL agent with a meticulously designed reward policy, enabling it to acquire proficiency in navigating the latent space of the l-GAN and generating outputs based on specified tasks. To substantiate the efficacy of our approach, we have conducted a series of experiments employing the MNIST dataset, including arithmetic addition as an illustrative task. The outcomes of these experiments serve to validate our methodology. Our pioneering integration of an RL agent with a GAN model represents a novel advancement, holding great potential for enhancing generative networks in the future.

Abstract: Personalized federated learning (PFL) is a popular framework that allows clients to have different models to address application scenarios where clients' data are in different domains. The typical model of a client in PFL features a global encoder trained by all clients to extract universal features from the raw data and personalized layers (e.g., a classifier) trained using the client's local data. Nonetheless, due to the differences between the data distributions of different clients (aka, domain gaps), the universal features produced by the global encoder largely encompass numerous components irrelevant to a certain client's local task. Some recent PFL methods address the above problem by personalizing specific parameters within the encoder. However, these methods encounter substantial challenges attributed to the high dimensionality and non-linearity of neural network parameter space. In contrast, the feature space exhibits a lower dimensionality, providing greater intuitiveness and interpretability as compared to the parameter space. To this end, we propose a novel PFL framework named FedPick. FedPick achieves PFL in the low-dimensional feature space by selecting task-relevant features adaptively for each client from the features generated by the global encoder based on its local data distribution. It presents a more accessible and interpretable implementation of PFL compared to those methods working in the parameter space. Extensive experimental results show that FedPick could effectively select task-relevant features for each client and improve model performance in cross-domain FL.

Abstract: Existing analyses of the expressive capacity of Transformer models have required excessively deep layers for data memorization, leading to a discrepancy with the Transformers actually used in practice. This is primarily due to the interpretation of the softmax function as an approximation of the hardmax function. By clarifying the connection between the softmax function and the Boltzmann operator, we prove that a single layer of self-attention with low-rank weight matrices possesses the capability to perfectly capture the context of an entire input sequence. As a consequence, we show that single-layer Transformer has a memorization capacity for finite samples, and that Transformers consisting of one self-attention layer with two feed-forward neural networks are universal approximators for continuous functions on a compact domain.

Abstract: Diagnosing rare anemia disorders using microscopic images is challenging for skilled specialists and machine-learning methods alike. Due to thousands of disease-relevant cells in a single blood sample, this constitutes a complex multiple-instance learning (MIL) problem. While the spatial neighborhood of red blood cells is not meaningful per se, the topology, i.e., the geometry of blood samples as a whole, contains informative features to remedy typical MIL issues, such as vanishing gradients and overfitting when training on limited data. We thus develop a topology-based approach that extracts multi-scale topological features from bags of single red blood cell images. The topological features are used to regularize the model, enforcing the preservation of characteristic topological properties of the data. Applied to a dataset of 71 patients suffering from rare anemia disorders with 521 microscopic images of red blood cells, our experiments show that topological regularization is an effective method that leads to more than 3% performance improvements for the automated classification of rare anemia disorders based on single-cell images. This is the first approach that uses topological properties for regularizing the MIL process.

Abstract: Detection of easily missed hidden patterns with fast processing power makes machine learning (ML) indispensable to today's healthcare system. Though many ML applications have already been discovered and many are still under investigation, only a few have been adopted by current healthcare systems. As a result, there exists an enormous opportunity in healthcare system for ML but distributed information, scarcity of properly arranged and easily explainable documentation in related sector are major impede which are making ML applications difficult to healthcare professionals. This study aimed to gather ML applications in different areas of healthcare concisely and more effectively so that necessary information can be accessed immediately with relevant references. We divided our study into five major groups: community level work, risk management/ preventive care, healthcare operation management, remote care, and early detection. Dividing these groups into subgroups, we provided relevant references with description in tabular form for quick access. Our objective is to inform people about ML applicability in healthcare industry, reduce the knowledge gap of clinicians about the ML applications and motivate healthcare professionals towards more machine learning based healthcare system.

Abstract: Multi-source unsupervised domain adaptation (MUDA) aims to transfer knowledge from related source domains to an unlabeled target domain. While recent MUDA methods have shown promising results, most focus on aligning the overall feature distributions across source domains, which can lead to negative effects due to redundant features within each domain. Moreover, there is a significant performance gap between MUDA and supervised methods. To address these challenges, we propose a novel approach called Dynamic Domain Discrepancy Adjustment for Active Multi-Domain Adaptation (D3AAMDA). Firstly, we establish a multi-source dynamic modulation mechanism during the training process based on the degree of distribution differences between source and target domains. This mechanism controls the alignment level of features between each source domain and the target domain, effectively leveraging the local advantageous feature information within the source domains. Additionally, we propose a Multi-source Active Boundary Sample Selection (MABS) strategy, which utilizes a guided dynamic boundary loss to design an efficient query function for selecting important samples. This strategy achieves improved generalization to the target domain with minimal sampling costs. We extensively evaluate our proposed method on commonly used domain adaptation datasets, comparing it against existing UDA and ADA methods. The experimental results unequivocally demonstrate the superiority of our approach.

Abstract: We study reinforcement learning (RL) for learning a Quantal Stackelberg Equilibrium (QSE) in an episodic Markov game with a leader-follower structure. In specific, at the outset of the game, the leader announces her policy to the follower and commits to it. The follower observes the leader's policy and, in turn, adopts a quantal response policy by solving an entropy-regularized policy optimization problem induced by leader's policy. The goal of the leader is to find her optimal policy, which yields the optimal expected total return, by interacting with the follower and learning from data. A key challenge of this problem is that the leader cannot observe the follower's reward, and needs to infer the follower's quantal response model from his actions against leader's policies. We propose sample-efficient algorithms for both the online and offline settings, in the context of function approximation. Our algorithms are based on (i) learning the quantal response model via maximum likelihood estimation and (ii) model-free or model-based RL for solving the leader's decision making problem, and we show that they achieve sublinear regret upper bounds. Moreover, we quantify the uncertainty of these estimators and leverage the uncertainty to implement optimistic and pessimistic algorithms for online and offline settings. Besides, when specialized to the linear and myopic setting, our algorithms are also computationally efficient. Our theoretical analysis features a novel performance-difference lemma which incorporates the error of quantal response model, which might be of independent interest.

Abstract: GraphRNN is a deep learning-based architecture proposed by You et al. for learning generative models for graphs. We replicate the results of You et al. using a reproduced implementation of the GraphRNN architecture and evaluate this against baseline models using new metrics. Through an ablation study, we find that the BFS traversal suggested by You et al. to collapse representations of isomorphic graphs contributes significantly to model performance. Additionally, we extend GraphRNN to generate directed acyclic graphs by replacing the BFS traversal with a topological sort. We demonstrate that this method improves significantly over a directed-multiclass variant of GraphRNN on a real-world dataset.

Abstract: We study the piecewise stationary combinatorial semi-bandit problem with causally related rewards. In our nonstationary environment, variations in the base arms' distributions, causal relationships between rewards, or both, change the reward generation process. In such an environment, an optimal decision-maker must follow both sources of change and adapt accordingly. The problem becomes aggravated in the combinatorial semi-bandit setting, where the decision-maker only observes the outcome of the selected bundle of arms. The core of our proposed policy is the Upper Confidence Bound (UCB) algorithm. We assume the agent relies on an adaptive approach to overcome the challenge. More specifically, it employs a change-point detector based on the Generalized Likelihood Ratio (GLR) test. Besides, we introduce the notion of group restart as a new alternative restarting strategy in the decision making process in structured environments. Finally, our algorithm integrates a mechanism to trace the variations of the underlying graph structure, which captures the causal relationships between the rewards in the bandit setting. Theoretically, we establish a regret upper bound that reflects the effects of the number of structural- and distribution changes on the performance. The outcome of our numerical experiments in real-world scenarios exhibits applicability and superior performance of our proposal compared to the state-of-the-art benchmarks.

Abstract: Recent successes in image generation, model-based reinforcement learning, and text-to-image generation have demonstrated the empirical advantages of discrete latent representations, although the reasons behind their benefits remain unclear. We explore the relationship between discrete latent spaces and disentangled representations by replacing the standard Gaussian variational autoencoder (VAE) with a tailored categorical variational autoencoder. We show that the underlying grid structure of categorical distributions mitigates the problem of rotational invariance associated with multivariate Gaussian distributions, acting as an efficient inductive prior for disentangled representations. We provide both analytical and empirical findings that demonstrate the advantages of discrete VAEs for learning disentangled representations. Furthermore, we introduce the first unsupervised model selection strategy that favors disentangled representations.

Abstract: Low-lying coastal cities, exemplified by Norfolk, Virginia, face the challenge of street flooding caused by rainfall and tides, which strain transportation and sewer systems and can lead to property damage. While high-fidelity, physics-based simulations provide accurate predictions of urban pluvial flooding, their computational complexity renders them unsuitable for real-time applications. Using data from Norfolk rainfall events between 2016 and 2018, this study compares the performance of a previous surrogate model based on a random forest algorithm with two deep learning models: Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU). This investigation underscores the importance of using a model architecture that supports the communication of prediction uncertainty and the effective integration of relevant, multi-modal features.

Abstract: Numerous models for supervised and reinforcement learning benefit from combinations of discrete and continuous model components. End-to-end learnable discrete-continuous models are compositional, tend to generalize better, and are more interpretable. A popular approach to building discrete-continuous computation graphs is that of integrating discrete probability distributions into neural networks using stochastic softmax tricks. Prior work has mainly focused on computation graphs with a single discrete component on each of the graph's execution paths. We analyze the behavior of more complex stochastic computations graphs with multiple sequential discrete components. We show that it is challenging to optimize the parameters of these models, mainly due to small gradients and local minima. We then propose two new strategies to overcome these challenges. First, we show that increasing the scale parameter of the Gumbel noise perturbations during training improves the learning behavior. Second, we propose dropout residual connections specifically tailored to stochastic, discrete-continuous computation graphs. With an extensive set of experiments, we show that we can train complex discrete-continuous models which one cannot train with standard stochastic softmax tricks. We also show that complex discrete-stochastic models generalize better than their continuous counterparts on several benchmark datasets.

Abstract: The hydrometallurgical method of zinc production involves leaching zinc from ore and then separating the solid residue from the liquid solution by pressure filtration. This separation process is very important since the solid residue contains some moisture that can reduce the amount of zinc recovered. This study modeled the pressure filtration process through Random Forest (RF) and Support Vector Machine (SVM). The models take continuous variables (extracted features) from the lab samples as inputs. Thus, regression models namely Random Forest Regression (RFR) and Support Vector Regression (SVR) were chosen. A total dataset was obtained during the pressure filtration process in two conditions: 1) Polypropylene (S1) and 2) Polyester fabrics (S2). To predict the cake moisture, solids concentration (0.2 and 0.38), temperature (35 and 65 centigrade), pH (2, 3.5, and 5), pressure, cake thickness (14, 20, 26, and 34 mm), air-blow time (2, 10 and 15 min) and filtration time were applied as input variables. The models' predictive accuracy was evaluated by the coefficient of determination (R2) parameter. The results revealed that the RFR model is superior to the SVR model for cake moisture prediction.

Abstract: Monitoring a population of dependent processes under limited resources is critical for abnormal events detection. A novel online collaborative learning method is proposed to adaptively allocate the resources for exploitation of high-risk processes and exploration of dependent dynamics. Efficiency of the proposed method is proved through theoretical analysis and experiments.

Abstract: Splitting of sequential data, such as videos and time series, is an essential step in various data analysis tasks, including object tracking and anomaly detection. However, splitting sequential data presents a variety of challenges that can impact the accuracy and reliability of subsequent analyses. This concept article examines the challenges associated with splitting sequential data, including data acquisition, data representation, split ratio selection, setting up quality criteria, and choosing suitable selection strategies. We explore these challenges through two real-world examples: motor test benches and particle tracking in liquids.

Abstract: Safety is critical to broadening the application of reinforcement learning (RL). Often, we train RL agents in a controlled environment, such as a laboratory, before deploying them in the real world. However, the real-world target task might be unknown prior to deployment. Reward-free RL trains an agent without the reward to adapt quickly once the reward is revealed. We consider the constrained reward-free setting, where an agent (the guide) learns to explore safely without the reward signal. This agent is trained in a controlled environment, which allows unsafe interactions and still provides the safety signal. After the target task is revealed, safety violations are not allowed anymore. Thus, the guide is leveraged to compose a safe behaviour policy. Drawing from transfer learning, we also regularize a target policy (the student) towards the guide while the student is unreliable and gradually eliminate the influence of the guide as training progresses. The empirical analysis shows that this method can achieve safe transfer learning and helps the student solve the target task faster.

Abstract: Deep learning (DL) models for tabular data problems are receiving increasingly more attention, while the algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution. Following the recent trends in other domains, such as natural language processing and computer vision, several retrieval-augmented tabular DL models have been recently proposed. For a given target object, a retrieval-based model retrieves other relevant objects, such as the nearest neighbors, from the available (training) data and uses their features or even labels to make a better prediction. However, we show that the existing retrieval-based tabular DL solutions provide only minor, if any, benefits over the properly tuned simple retrieval-free baselines. Thus, it remains unclear whether the retrieval-based approach is a worthy direction for tabular DL. In this work, we give a strong positive answer to this question. We start by incrementally augmenting a simple feed-forward architecture with an attention-like retrieval component similar to those of many (tabular) retrieval-based models. Then, we highlight several details of the attention mechanism that turn out to have a massive impact on the performance on tabular data problems, but that were not explored in prior work. As a result, we design TabR -- a simple retrieval-based tabular DL model which, on a set of public benchmarks, demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed ``GBDT-friendly'' benchmark (see the first figure).