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Advances in Machine Learning Research Using Knowledge Graphs

arXiv.org Artificial Intelligence

Machine learning is an interdisciplinary field that studies how computers can learn and simulate human learning behaviour. By acquiring new knowledge, machine learning aims to reorganize existing knowledge structures to continuously improve its own performance. Machine learning was proposed in the mid-1950s, and over the next 30 years, related research in the field of machine learning continued to develop. Machine learning has interdisciplinary attributes and has been widely applied in the field of artificial intelligence. Zhang and Wang [2016] argue that the way to transform big data into more valuable knowledge is by applying machine learning techniques.


Mining and Transferring Feature-Geometry Coherence for Unsupervised Point Cloud Registration

arXiv.org Artificial Intelligence

Point cloud registration, a fundamental task in 3D vision, has achieved remarkable success with learning-based methods in outdoor environments. Unsupervised outdoor point cloud registration methods have recently emerged to circumvent the need for costly pose annotations. However, they fail to establish reliable optimization objectives for unsupervised training, either relying on overly strong geometric assumptions, or suffering from poor-quality pseudo-labels due to inadequate integration of low-level geometric and high-level contextual information. We have observed that in the feature space, latent new inlier correspondences tend to cluster around respective positive anchors that summarize features of existing inliers. Motivated by this observation, we propose a novel unsupervised registration method termed INTEGER to incorporate high-level contextual information for reliable pseudo-label mining. Specifically, we propose the Feature-Geometry Coherence Mining module to dynamically adapt the teacher for each mini-batch of data during training and discover reliable pseudo-labels by considering both high-level feature representations and low-level geometric cues. Furthermore, we propose Anchor-Based Contrastive Learning to facilitate contrastive learning with anchors for a robust feature space. Lastly, we introduce a Mixed-Density Student to learn density-invariant features, addressing challenges related to density variation and low overlap in the outdoor scenario. Extensive experiments on KITTI and nuScenes datasets demonstrate that our INTEGER achieves competitive performance in terms of accuracy and generalizability.


LASE: Learned Adjacency Spectral Embeddings

arXiv.org Machine Learning

We put forth a principled design of a neural architecture to learn nodal Adjacency Spectral Embeddings (ASE) from graph inputs. By bringing to bear the gradient descent (GD) method and leveraging the principle of algorithm unrolling, we truncate and re-interpret each GD iteration as a layer in a graph neural network (GNN) that is trained to approximate the ASE. Accordingly, we call the resulting embeddings and our parametric model Learned ASE (LASE), which is interpretable, parameter efficient, robust to inputs with unobserved edges, and offers controllable complexity during inference. LASE layers combine Graph Convolutional Network (GCN) and fully-connected Graph Attention Network (GAT) modules, which is intuitively pleasing since GCN-based local aggregations alone are insufficient to express the sought graph eigenvectors. We propose several refinements to the unrolled LASE architecture (such as sparse attention in the GAT module and decoupled layerwise parameters) that offer favorable approximation error versus computation tradeoffs; even outperforming heavily-optimized eigendecomposition routines from scientific computing libraries. Because LASE is a differentiable function with respect to its parameters as well as its graph input, we can seamlessly integrate it as a trainable module within a larger (semi-)supervised graph representation learning pipeline. The resulting end-to-end system effectively learns ``discriminative ASEs'' that exhibit competitive performance in supervised link prediction and node classification tasks, outperforming a GNN even when the latter is endowed with open loop, meaning task-agnostic, precomputed spectral positional encodings.


Can Stability be Detrimental? Better Generalization through Gradient Descent Instabilities

arXiv.org Machine Learning

Traditional analyses of gradient descent optimization show that, when the largest eigenvalue of the loss Hessian - often referred to as the sharpness - is below a critical learning-rate threshold, then training is'stable' and training loss decreases monotonically. Recent studies, however, have suggested that the majority of modern deep neural networks achieve good performance despite operating outside this stable regime. In this work, we demonstrate that such instabilities, induced by large learning rates, move model parameters toward flatter regions of the loss landscape. Our crucial insight lies in noting that, during these instabilities, the orientation of the Hessian eigenvectors rotate. This, we conjecture, allows the model to explore regions of the loss landscape that display more desirable geometrical properties for generalization, such as flatness. These rotations are a consequence of network depth, and we prove that for any network with depth > 1, unstable growth in parameters causes rotations in the principal components of the Hessian, which promotes exploration of the parameter space away from unstable directions. Our empirical studies reveal an implicit regularization effect in gradient descent with large learning rates operating beyond the stability threshold. We find these lead to improved generalization performance on modern benchmark datasets. Deep neural networks are widely successful across a number of tasks, but their generalization performance is dependent on careful choices of hyperparameters which govern the learning process. Gradient descent (including stochastic gradient descent and ADAM (Kingma & Ba, 2017)) is arguably the most widely-used learning algorithm due to its simplicity and versatility. For such methods, the descent lemma upper-bounds the choice of learning rate by the local curvature (or sharpness) to guarantee stable optimization trajectories and provable decreases for convex training losses. Recently, the'unstable' learning-rate regime has been a focal point for research.


SWAN: SGD with Normalization and Whitening Enables Stateless LLM Training

arXiv.org Artificial Intelligence

Adaptive optimizers such as Adam (Kingma & Ba, 2015) have been central to the success of large language models. However, they often require to maintain optimizer states throughout training, which can result in memory requirements several times greater than the model footprint. This overhead imposes constraints on scalability and computational efficiency. Stochastic Gradient Descent (SGD), in contrast, is a stateless optimizer, as it does not track state variables during training. Consequently, it achieves optimal memory efficiency. However, its capability in LLM training is limited (Zhao et al., 2024b). In this work, we show that pre-processing SGD in a stateless manner can achieve the same performance as the Adam optimizer for LLM training, while drastically reducing the memory cost. Specifically, we propose to pre-process the instantaneous stochastic gradients using normalization and whitening. We show that normalization stabilizes gradient distributions, and whitening counteracts the local curvature of the loss landscape. This results in SWAN (SGD with Whitening And Normalization), a stochastic optimizer that eliminates the need to store any optimizer states. Empirically, SWAN has the same memory footprint as SGD, achieving $\approx 50\%$ reduction on total end-to-end memory compared to Adam. In language modeling tasks, SWAN demonstrates comparable or even better performance than Adam: when pre-training the LLaMA model with 350M and 1.3B parameters, SWAN achieves a 2x speedup by reaching the same evaluation perplexity using half as many tokens.


An Approach To Enhance IoT Security In 6G Networks Through Explainable AI

arXiv.org Artificial Intelligence

Wireless communication has evolved significantly, with 6G offering groundbreaking capabilities, particularly for IoT. However, the integration of IoT into 6G presents new security challenges, expanding the attack surface due to vulnerabilities introduced by advanced technologies such as open RAN, terahertz (THz) communication, IRS, massive MIMO, and AI. Emerging threats like AI exploitation, virtualization risks, and evolving attacks, including data manipulation and signal interference, further complicate security efforts. As 6G standards are set to be finalized by 2030, work continues to align security measures with technological advances. However, substantial gaps remain in frameworks designed to secure integrated IoT and 6G systems. Our research addresses these challenges by utilizing tree-based machine learning algorithms to manage complex datasets and evaluate feature importance. We apply data balancing techniques to ensure fair attack representation and use SHAP and LIME to improve model transparency. By aligning feature importance with XAI methods and cross-validating for consistency, we boost model accuracy and enhance IoT security within the 6G ecosystem.


Bayesian penalized empirical likelihood and MCMC sampling

arXiv.org Machine Learning

In this study, we introduce a novel methodological framework called Bayesian Penalized Empirical Likelihood (BPEL), designed to address the computational challenges inherent in empirical likelihood (EL) approaches. Our approach has two primary objectives: (i) to enhance the inherent flexibility of EL in accommodating diverse model conditions, and (ii) to facilitate the use of well-established Markov Chain Monte Carlo (MCMC) sampling schemes as a convenient alternative to the complex optimization typically required for statistical inference using EL. To achieve the first objective, we propose a penalized approach that regularizes the Lagrange multipliers, significantly reducing the dimensionality of the problem while accommodating a comprehensive set of model conditions. For the second objective, our study designs and thoroughly investigates two popular sampling schemes within the BPEL context. We demonstrate that the BPEL framework is highly flexible and efficient, enhancing the adaptability and practicality of EL methods. Our study highlights the practical advantages of using sampling techniques over traditional optimization methods for EL problems, showing rapid convergence to the global optima of posterior distributions and ensuring the effective resolution of complex statistical inference challenges.


An information theoretic limit to data amplification

arXiv.org Machine Learning

In recent years generative artificial intelligence has been used to create data to support science analysis. For example, Generative Adversarial Networks (GANs) have been trained using Monte Carlo simulated input and then used to generate data for the same problem. This has the advantage that a GAN creates data in a significantly reduced computing time. N training events for a GAN can result in GN generated events with the gain factor, G, being more than one. This appears to violate the principle that one cannot get information for free. This is not the only way to amplify data so this process will be referred to as data amplification which is studied using information theoretic concepts. It is shown that a gain of greater than one is possible whilst keeping the information content of the data unchanged. This leads to a mathematical bound which only depends on the number of generated and training events. This study determines conditions on both the underlying and reconstructed probability distributions to ensure this bound. In particular, the resolution of variables in amplified data is not improved by the process but the increase in sample size can still improve statistical significance. The bound is confirmed using computer simulation and analysis of GAN generated data from the literature.


Improving Pareto Set Learning for Expensive Multi-objective Optimization via Stein Variational Hypernetworks

arXiv.org Machine Learning

Expensive multi-objective optimization problems (EMOPs) are common in real-world scenarios where evaluating objective functions is costly and involves extensive computations or physical experiments. Current Pareto set learning methods for such problems often rely on surrogate models like Gaussian processes to approximate the objective functions. These surrogate models can become fragmented, resulting in numerous small uncertain regions between explored solutions. When using acquisition functions such as the Lower Confidence Bound (LCB), these uncertain regions can turn into pseudo-local optima, complicating the search for globally optimal solutions. To address these challenges, we propose a novel approach called SVH-PSL, which integrates Stein Variational Gradient Descent (SVGD) with Hypernetworks for efficient Pareto set learning. Our method addresses the issues of fragmented surrogate models and pseudo-local optima by collectively moving particles in a manner that smooths out the solution space. The particles interact with each other through a kernel function, which helps maintain diversity and encourages the exploration of underexplored regions. This kernel-based interaction prevents particles from clustering around pseudo-local optima and promotes convergence towards globally optimal solutions. Our approach aims to establish robust relationships between trade-off reference vectors and their corresponding true Pareto solutions, overcoming the limitations of existing methods. Through extensive experiments across both synthetic and real-world MOO benchmarks, we demonstrate that SVH-PSL significantly improves the quality of the learned Pareto set, offering a promising solution for expensive multi-objective optimization problems.


Diverse Concept Proposals for Concept Bottleneck Models

arXiv.org Artificial Intelligence

Concept bottleneck models are interpretable predictive models that are often used in domains where model trust is a key priority, such as healthcare. They identify a small number of human-interpretable concepts in the data, which they then use to make predictions. Learning relevant concepts from data proves to be a challenging task. The most predictive concepts may not align with expert intuition, thus, failing interpretability with no recourse. Our proposed approach identifies a number of predictive concepts that explain the data. By offering multiple alternative explanations, we allow the human expert to choose the one that best aligns with their expectation. To demonstrate our method, we show that it is able discover all possible concept representations on a synthetic dataset. On EHR data, our model was able to identify 4 out of the 5 pre-defined concepts without supervision.