Perceptrons
On the Internal Representations of Graph Metanetworks
Weight space learning is an emerging paradigm in the deep learning community. The primary goal of weight space learning is to extract informative features from a set of parameters using specially designed neural networks, often referred to as metanetworks. However, it remains unclear how these metanetworks learn solely from parameters. To address this, we take the first step toward understanding representations of metanetworks, specifically graph metanetworks (GMNs), which achieve state-of-the-art results in this field, using centered kernel alignment (CKA). Through various experiments, we reveal that GMNs and general neural networks (e.g., multi-layer perceptrons (MLPs) and convolutional neural networks (CNNs)) differ in terms of their representation space. The field of weight space learning has gained a lot of attention these days.
Evidential Uncertainty Probes for Graph Neural Networks
Yu, Linlin, Li, Kangshuo, Saha, Pritom Kumar, Lou, Yifei, Chen, Feng
Accurate quantification of both aleatoric and epistemic uncertainties is essential when deploying Graph Neural Networks (GNNs) in high-stakes applications such as drug discovery and financial fraud detection, where reliable predictions are critical. Although Evidential Deep Learning (EDL) efficiently quantifies uncertainty using a Dirichlet distribution over predictive probabilities, existing EDL-based GNN (EGNN) models require modifications to the network architecture and retraining, failing to take advantage of pre-trained models. We propose a plug-and-play framework for uncertainty quantification in GNNs that works with pre-trained models without the need for retraining. Our Evidential Probing Network (EPN) uses a lightweight Multi-Layer-Perceptron (MLP) head to extract evidence from learned representations, allowing efficient integration with various GNN architectures. We further introduce evidence-based regularization techniques, referred to as EPN-reg, to enhance the estimation of epistemic uncertainty with theoretical justifications. Extensive experiments demonstrate that the proposed EPN-reg achieves state-of-the-art performance in accurate and efficient uncertainty quantification, making it suitable for real-world deployment.
Machine learning algorithms to predict stroke in China based on causal inference of time series analysis
Zheng, Qizhi, Zhao, Ayang, Wang, Xinzhu, Bai, Yanhong, Wang, Zikun, Wang, Xiuying, Zeng, Xianzhang, Dong, Guanghui
Participants: This study employed a combination of Vector Autoregression (VAR) model and Graph Neural Networks (GNN) to systematically construct dynamic causal inference. Multiple classic classification algorithms were compared, including Random Forest, Logistic Regression, XGBoost, Support Vector Machine (SVM), K-Nearest Neighbor (KNN), Gradient Boosting, and Multi Layer Perceptron (MLP). The SMOTE algorithm was used to undersample a small number of samples and employed Stratified K-fold Cross Validation. Results: This study included a total of 11,789 participants, including 6,334 females (53.73%) and 5,455 males (46.27%), with an average age of 65 years. Introduction of dynamic causal inference features has significantly improved the performance of almost all models. The area under the ROC curve of each model ranged from 0.78 to 0.83, indicating significant difference (P < 0.01). Among all the models, the Gradient Boosting model demonstrated the highest performance and stability. Model explanation and feature importance analysis generated model interpretation that illustrated significant contributors associated with risks of stroke. Conclusions and Relevance: This study proposes a stroke risk prediction method that combines dynamic causal inference with machine learning models, significantly improving prediction accuracy and revealing key health factors that affect stroke. The research results indicate that dynamic causal inference features have important value in predicting stroke risk, especially in capturing the impact of changes in health status over time on stroke risk. By further optimizing the model and introducing more variables, this study provides theoretical basis and practical guidance for future stroke prevention and intervention strategies.
NeRF-VIO: Map-Based Visual-Inertial Odometry with Initialization Leveraging Neural Radiance Fields
Zhang, Yanyu, Wang, Dongming, Xu, Jie, Liu, Mengyuan, Zhu, Pengxiang, Ren, Wei
A prior map serves as a foundational reference for localization in context-aware applications such as augmented reality (AR). Providing valuable contextual information about the environment, the prior map is a vital tool for mitigating drift. In this paper, we propose a map-based visual-inertial localization algorithm (NeRF-VIO) with initialization using neural radiance fields (NeRF). Our algorithm utilizes a multilayer perceptron model and redefines the loss function as the geodesic distance on \(SE(3)\), ensuring the invariance of the initialization model under a frame change within \(\mathfrak{se}(3)\). The evaluation demonstrates that our model outperforms existing NeRF-based initialization solution in both accuracy and efficiency. By integrating a two-stage update mechanism within a multi-state constraint Kalman filter (MSCKF) framework, the state of NeRF-VIO is constrained by both captured images from an onboard camera and rendered images from a pre-trained NeRF model. The proposed algorithm is validated using a real-world AR dataset, the results indicate that our two-stage update pipeline outperforms MSCKF across all data sequences.
ResMoE: Space-efficient Compression of Mixture of Experts LLMs via Residual Restoration
Ai, Mengting, Wei, Tianxin, Chen, Yifan, Zeng, Zhichen, Zhao, Ritchie, Varatkar, Girish, Rouhani, Bita Darvish, Tang, Xianfeng, Tong, Hanghang, He, Jingrui
Mixture-of-Experts (MoE) Transformer, the backbone architecture The profound impact of the Transformer architecture in the domain of multiple phenomenal language models, leverages sparsity of machine learning is undeniable, for the fields including by activating only a fraction of model parameters for each input natural language processing [3, 14, 18, 45, 48, 61] and computer token. The sparse structure, while allowing constant time costs, vision [17, 39, 64], to name a few. To further improve the capabilities results in space inefficiency: we still need to load all the model of pre-trained large language models (LLMs), one general parameters during inference. We introduce ResMoE, an innovative strategy is to scale up their parameters. Mixture-of-Experts (MoE) MoE approximation framework that utilizes Wasserstein barycenter [52] extends the traditional feedforward neural network (FFN) layer to extract a common expert (barycenter expert) and approximate by replacing a single multilayer perceptron (MLP) with multiple the residuals between this barycenter expert and the original ones. MLPs, referred to as "experts". While enhancing the performance, ResMoE enhances the space efficiency for inference of large-scale sparse MoE keeps computing costs (FLOPs) comparable to the original MoE Transformers in a one-shot and data-agnostic manner without dense model, as only a few selected experts will be activated retraining while maintaining minimal accuracy loss, thereby each time. The framework of an MoE layer is demonstrated in paving the way for broader accessibility to large language models.
Superscopes: Amplifying Internal Feature Representations for Language Model Interpretation
Understanding and interpreting the internal representations of large language models (LLMs) remains an open challenge. Patchscopes introduced a method for probing internal activations by patching them into new prompts, prompting models to self-explain their hidden representations. We introduce Superscopes, a technique that systematically amplifies superposed features in MLP outputs (multilayer perceptron) and hidden states before patching them into new contexts. Inspired by the "features as directions" perspective and the Classifier-Free Guidance (CFG) approach from diffusion models, Superscopes amplifies weak but meaningful features, enabling the interpretation of internal representations that previous methods failed to explain-all without requiring additional training. This approach provides new insights into how LLMs build context and represent complex concepts, further advancing mechanistic interpretability.
AF-KAN: Activation Function-Based Kolmogorov-Arnold Networks for Efficient Representation Learning
Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.
Machine Learning for Improved Density Functional Theory Thermodynamics
Simak, Sergei I., Delczeg-Czirjak, Erna K., Eriksson, Olle
The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stability calculations. In this work, we present a machine learning (ML) approach to systematically correct these errors, improving the reliability of first-principles predictions. A neural network model has been trained to predict the discrepancy between DFT-calculated and experimentally measured enthalpies for binary and ternary alloys and compounds. The model utilizes a structured feature set comprising elemental concentrations, atomic numbers, and interaction terms to capture key chemical and structural effects. By applying supervised learning and rigorous data curation we ensure a robust and physically meaningful correction. The model is implemented as a multi-layer perceptron (MLP) regressor with three hidden layers, optimized through leave-one-out cross-validation (LOOCV) and k-fold cross-validation to prevent overfitting. We illustrate the effectiveness of this method by applying it to the Al-Ni-Pd and Al-Ni-Ti systems, which are of interest for high-temperature applications in aerospace and protective coatings.
Enhancing Network Security: A Hybrid Approach for Detection and Mitigation of Distributed Denial-of-Service Attacks Using Machine Learning
Shohan, Nizo Jaman, Tanbhir, Gazi, Elahi, Faria, Ullah, Ahsan, Sakib, Md. Nazmus
The distributed denial-of-service (DDoS) attack stands out as a highly formidable cyber threat, representing an advanced form of the denial-of-service (DoS) attack. A DDoS attack involves multiple computers working together to overwhelm a system, making it unavailable. On the other hand, a DoS attack is a one-on-one attempt to make a system or website inaccessible. Thus, it is crucial to construct an effective model for identifying various DDoS incidents. Although extensive research has focused on binary detection models for DDoS identification, they face challenges to adapt evolving threats, necessitating frequent updates. Whereas multiclass detection models offer a comprehensive defense against diverse DDoS attacks, ensuring adaptability in the ever-changing cyber threat landscape. In this paper, we propose a Hybrid Model to strengthen network security by combining the featureextraction abilities of 1D Convolutional Neural Networks (CNNs) with the classification skills of Random Forest (RF) and Multi-layer Perceptron (MLP) classifiers. Using the CIC-DDoS2019 dataset, we perform multiclass classification of various DDoS attacks and conduct a comparative analysis of evaluation metrics for RF, MLP, and our proposed Hybrid Model. After analyzing the results, we draw meaningful conclusions and confirm the superiority of our Hybrid Model by performing thorough cross-validation. Additionally, we integrate our machine learning model with Snort, which provides a robust and adaptive solution for detecting and mitigating various DDoS attacks.
Nearly Optimal Differentially Private ReLU Regression
Ding, Meng, Lei, Mingxi, Wang, Shaowei, Zheng, Tianhang, Wang, Di, Xu, Jinhui
In this paper, we investigate one of the most fundamental nonconvex learning problems, ReLU regression, in the Differential Privacy (DP) model. Previous studies on private ReLU regression heavily rely on stringent assumptions, such as constant bounded norms for feature vectors and labels. We relax these assumptions to a more standard setting, where data can be i.i.d. sampled from $O(1)$-sub-Gaussian distributions. We first show that when $\varepsilon = \tilde{O}(\sqrt{\frac{1}{N}})$ and there is some public data, it is possible to achieve an upper bound of $\Tilde{O}(\frac{d^2}{N^2 \varepsilon^2})$ for the excess population risk in $(\epsilon, \delta)$-DP, where $d$ is the dimension and $N$ is the number of data samples. Moreover, we relax the requirement of $\epsilon$ and public data by proposing and analyzing a one-pass mini-batch Generalized Linear Model Perceptron algorithm (DP-MBGLMtron). Additionally, using the tracing attack argument technique, we demonstrate that the minimax rate of the estimation error for $(\varepsilon, \delta)$-DP algorithms is lower bounded by $\Omega(\frac{d^2}{N^2 \varepsilon^2})$. This shows that DP-MBGLMtron achieves the optimal utility bound up to logarithmic factors. Experiments further support our theoretical results.