The development of the DRL model for malware attribution involved extensive research, iterative coding, and numerous adjustments based on the insights gathered from predecessor models and contemporary research papers. This preparatory work was essential to establish a robust foundation for the model, ensuring it could adapt and respond effectively to the dynamic nature of malware threats. Initially, the model struggled with low accuracy levels, but through persistent adjustments to its architecture and learning algorithms, accuracy improved dramatically from about 7 percent to over 73 percent in early iterations. By the end of the training, the model consistently reached accuracy levels near 98 percent, demonstrating its strong capability to accurately recognise and attribute malware activities. This upward trajectory in training accuracy is graphically represented in the Figure, which vividly illustrates the model maturation and increasing proficiency over time.

Diagnosis prediction is a critical task in healthcare, where timely and accurate identification of medical conditions can significantly impact patient outcomes. Traditional machine learning and deep learning models have achieved notable success in this domain but often lack interpretability which is a crucial requirement in clinical settings. In this study, we explore the use of neuro-symbolic methods, specifically Logical Neural Networks (LNNs), to develop explainable models for diagnosis prediction. Essentially, we design and implement LNN-based models that integrate domain-specific knowledge through logical rules with learnable thresholds. Our models, particularly $M_{\text{multi-pathway}}$ and $M_{\text{comprehensive}}$, demonstrate superior performance over traditional models such as Logistic Regression, SVM, and Random Forest, achieving higher accuracy (up to 80.52\%) and AUROC scores (up to 0.8457) in the case study of diabetes prediction. The learned weights and thresholds within the LNN models provide direct insights into feature contributions, enhancing interpretability without compromising predictive power. These findings highlight the potential of neuro-symbolic approaches in bridging the gap between accuracy and explainability in healthcare AI applications. By offering transparent and adaptable diagnostic models, our work contributes to the advancement of precision medicine and supports the development of equitable healthcare solutions. Future research will focus on extending these methods to larger and more diverse datasets to further validate their applicability across different medical conditions and populations.

Graph Neural Networks (GNNs) have demonstrated remarkable proficiency in handling a range of graph analytical tasks across various domains, such as e-commerce and social networks. Despite their versatility, GNNs face significant challenges in transferability, limiting their utility in real-world applications. Existing research in GNN transfer learning overlooks discrepancies in distribution among various graph datasets, facing challenges when transferring across different distributions. How to effectively adopt a well-trained GNN to new graphs with varying feature and structural distributions remains an under-explored problem. Taking inspiration from the success of Low-Rank Adaptation (LoRA) in adapting large language models to various domains, we propose GraphLoRA, an effective and parameter-efficient method for transferring well-trained GNNs to diverse graph domains. Specifically, we first propose a Structure-aware Maximum Mean Discrepancy (SMMD) to align divergent node feature distributions across source and target graphs. Moreover, we introduce low-rank adaptation by injecting a small trainable GNN alongside the pre-trained one, effectively bridging structural distribution gaps while mitigating the catastrophic forgetting. Additionally, a structure-aware regularization objective is proposed to enhance the adaptability of the pre-trained GNN to target graph with scarce supervision labels. Extensive experiments on eight real-world datasets demonstrate the effectiveness of GraphLoRA against fourteen baselines by tuning only 20% of parameters, even across disparate graph domains. The code is available at https://github.com/AllminerLab/GraphLoRA.

Deep learning, a multi-layered neural network approach inspired by the brain, has revolutionized machine learning. One of its key enablers has been backpropagation, an algorithm that computes the gradient of a loss function with respect to the weights and biases in the neural network model, in combination with its use in gradient descent. However, the implementation of deep learning in digital computers is intrinsically energy hungry, with energy consumption becoming prohibitively high for many applications. This has stimulated the development of specialized hardware, ranging from neuromorphic CMOS integrated circuits and integrated photonic tensor cores to unconventional, material-based computing system. The learning process in these material systems, realized, e.g., by artificial evolution, equilibrium propagation or surrogate modelling, is a complicated and time-consuming process. Here, we demonstrate a simple yet efficient and accurate gradient extraction method, based on the principle of homodyne detection, for performing gradient descent on a loss function directly in a physical system without the need of an analytical description. By perturbing the parameters that need to be optimized using sinusoidal waveforms with distinct frequencies, we effectively obtain the gradient information in a highly robust and scalable manner. We illustrate the method in dopant network processing units, but argue that it is applicable in a wide range of physical systems. Homodyne gradient extraction can in principle be fully implemented in materia, facilitating the development of autonomously learning material systems.

We study the mixing time of the projected Langevin algorithm (LA) and the privacy curve of noisy Stochastic Gradient Descent (SGD), beyond nonexpansive iterations. Specifically, we derive new mixing time bounds for the projected LA which are, in some important cases, dimension-free and poly-logarithmic on the accuracy, closely matching the existing results in the smooth convex case. Additionally, we establish new upper bounds for the privacy curve of the subsampled noisy SGD algorithm. These bounds show a crucial dependency on the regularity of gradients, and are useful for a wide range of convex losses beyond the smooth case. Our analysis relies on a suitable extension of the Privacy Amplification by Iteration (PABI) framework (Feldman et al., 2018; Altschuler and Talwar, 2022, 2023) to noisy iterations whose gradient map is not necessarily nonexpansive. This extension is achieved by designing an optimization problem which accounts for the best possible R\'enyi divergence bound obtained by an application of PABI, where the tractability of the problem is crucially related to the modulus of continuity of the associated gradient mapping. We show that, in several interesting cases -- including the nonsmooth convex, weakly smooth and (strongly) dissipative -- such optimization problem can be solved exactly and explicitly. This yields the tightest possible PABI-based bounds, where our results are either new or substantially sharper than those in previous works.

In many applications, both data samples and features have underlying hierarchical structures. However, existing methods for learning these latent structures typically focus on either samples or features, ignoring possible coupling between them. In this paper, we introduce a coupled hierarchical structure learning method using tree-Wasserstein distance (TWD). Our method jointly computes TWDs for samples and features, representing their latent hierarchies as trees. We propose an iterative, unsupervised procedure to build these sample and feature trees based on diffusion geometry, hyperbolic geometry, and wavelet filters. We show that this iterative procedure converges and empirically improves the quality of the constructed trees. The method is also computationally efficient and scales well in high-dimensional settings. Our method can be seamlessly integrated with hyperbolic graph convolutional networks (HGCN). We demonstrate that our method outperforms competing approaches in sparse approximation and unsupervised Wasserstein distance learning on several word-document and single-cell RNA-sequencing datasets. In addition, integrating our method into HGCN enhances performance in link prediction and node classification tasks.

Linear discriminant analysis is a widely used method for classification. However, the high dimensionality of predictors combined with small sample sizes often results in large classification errors. To address this challenge, it is crucial to leverage data from related source models to enhance the classification performance of a target model. We propose to address this problem in the framework of transfer learning. In this paper, we present novel transfer learning methods via regularized random-effects linear discriminant analysis, where the discriminant direction is estimated as a weighted combination of ridge estimates obtained from both the target and source models. Multiple strategies for determining these weights are introduced and evaluated, including one that minimizes the estimation risk of the discriminant vector and another that minimizes the classification error. Utilizing results from random matrix theory, we explicitly derive the asymptotic values of these weights and the associated classification error rates in the high-dimensional setting, where $p/n \rightarrow \gamma$, with $p$ representing the predictor dimension and $n$ the sample size. We also provide geometric interpretations of various weights and a guidance on which weights to choose. Extensive numerical studies, including simulations and analysis of proteomics-based 10-year cardiovascular disease risk classification, demonstrate the effectiveness of the proposed approach.

In time-series analysis, many recent works seek to provide a unified view and representation for time-series across multiple domains, leading to the development of foundation models for time-series data. Despite diverse modeling techniques, existing models are black boxes and fail to provide insights and explanations about their representations. In this paper, we present VQShape, a pre-trained, generalizable, and interpretable model for time-series representation learning and classification. By introducing a novel representation for time-series data, we forge a connection between the latent space of VQShape and shape-level features. Using vector quantization, we show that time-series from different domains can be described using a unified set of low-dimensional codes, where each code can be represented as an abstracted shape in the time domain. On classification tasks, we show that the representations of VQShape can be utilized to build interpretable classifiers, achieving comparable performance to specialist models. Additionally, in zero-shot learning, VQShape and its codebook can generalize to previously unseen datasets and domains that are not included in the pre-training process. The code and pre-trained weights are available at https://github.com/YunshiWen/VQShape.

Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian noise, while many real-world applications are subject to non-Gaussian corruptions. Variants of GPs that are more robust to alternative noise models have been proposed, and entail significant trade-offs between accuracy and robustness, and between computational requirements and theoretical guarantees. In this work, we propose and study a GP model that achieves robustness against sparse outliers by inferring data-point-specific noise levels with a sequential selection procedure maximizing the log marginal likelihood that we refer to as relevance pursuit. We show, surprisingly, that the model can be parameterized such that the associated log marginal likelihood is strongly concave in the data-point-specific noise variances, a property rarely found in either robust regression objectives or GP marginal likelihoods. This in turn implies the weak submodularity of the corresponding subset selection problem, and thereby proves approximation guarantees for the proposed algorithm. We compare the model's performance relative to other approaches on diverse regression and Bayesian optimization tasks, including the challenging but common setting of sparse corruptions of the labels within or close to the function range.

Inverse problems can be described as limited-data problems in which the signal of interest cannot be observed directly. A physics-based forward model that relates the signal with the observations is typically needed. Unfortunately, unknown model parameters and imperfect forward models can undermine the signal recovery. Even though supervised machine learning offers promising avenues to improve the robustness of the solutions, we have to rely on model-based learning when there is no access to ground truth for the training. Here, we studied a linear inverse problem that included an unknown non-linear model parameter and utilized a Bayesian model-based learning approach that allowed signal recovery and subsequently estimation of the model parameter. This approach, called Bayesian Approximation Error approach, employed a simplified model of the physics of the problem augmented with an approximation error term that compensated for the simplification. An error subspace was spanned with the help of the eigenvectors of the approximation error covariance matrix which allowed, alongside the primary signal, simultaneous estimation of the induced error. The estimated error and signal were then used to determine the unknown model parameter. For the model parameter estimation, we tested different approaches: a conditional Gaussian regression, an iterative (model-based) optimization, and a Gaussian process that was modeled with the help of physics-informed learning. In addition, alternating optimization was used as a reference method. As an example application, we focused on the problem of reconstructing brain activity from EEG recordings under the condition that the electrical conductivity of the patient's skull was unknown in the model. Our results demonstrated clear improvements in EEG source localization accuracy and provided feasible estimates for the unknown model parameter, skull conductivity.