pwc-archive/papers-with-abstracts huggingface dataset:
Graph Neural Networks Need Cluster-Normalize-Activate Modules
Authors: Arseny Skryagin, Felix Divo, Mohammad Amin Ali, Devendra Singh Dhami, Kristian Kersting
Date: 2024-12-05 00:00:00
Tasks: Node Classification, Property Prediction

Graph Neural Networks (GNNs) are non-Euclidean deep learning models for graph-structured data. Despite their successful and diverse applications, oversmoothing prohibits deep architectures due to node features converging to a single fixed point. This severely limits their potential to solve complex tasks. To counteract this tendency, we propose a plug-and-play module consisting of three steps: Cluster-Normalize-Activate (CNA). By applying CNA modules, GNNs search and form super nodes in each layer, which are normalized and activated individually. We demonstrate in node classification and property prediction tasks that CNA significantly improves the accuracy over the state-of-the-art. Particularly, CNA reaches 94.18% and 95.75% accuracy on Cora and CiteSeer, respectively. It further benefits GNNs in regression tasks as well, reducing the mean squared error compared to all baselines. At the same time, GNNs with CNA require substantially fewer learnable parameters than competing architectures.
Space to Policy: Scalable Brick Kiln Detection and Automatic Compliance Monitoring with Geospatial Data
Authors: Zeel B Patel, Rishabh Mondal, Shataxi Dubey, Suraj Jaiswal, Sarath Guttikunda, Nipun Batra
Date: 2024-12-05 00:00:00
Tasks: object-detection, Object Detection

Air pollution kills 7 million people annually. The brick kiln sector significantly contributes to economic development but also accounts for 8-14\% of air pollution in India. Policymakers have implemented compliance measures to regulate brick kilns. Emission inventories are critical for air quality modeling and source apportionment studies. However, the largely unorganized nature of the brick kiln sector necessitates labor-intensive survey efforts for monitoring. Recent efforts by air quality researchers have relied on manual annotation of brick kilns using satellite imagery to build emission inventories, but this approach lacks scalability. Machine-learning-based object detection methods have shown promise for detecting brick kilns; however, previous studies often rely on costly high-resolution imagery and fail to integrate with governmental policies. In this work, we developed a scalable machine-learning pipeline that detected and classified 30638 brick kilns across five states in the Indo-Gangetic Plain using free, moderate-resolution satellite imagery from Planet Labs. Our detections have a high correlation with on-ground surveys. We performed automated compliance analysis based on government policies. In the Delhi airshed, stricter policy enforcement has led to the adoption of efficient brick kiln technologies. This study highlights the need for inclusive policies that balance environmental sustainability with the livelihoods of workers.
Boundary-Guided Learning for Gene Expression Prediction in Spatial Transcriptomics
Authors: Mingcheng Qu, Yuncong Wu, Donglin Di, Anyang Su, Tonghua Su, Yang song, Lei Fan
Date: 2024-12-05 00:00:00

Spatial transcriptomics (ST) has emerged as an advanced technology that provides spatial context to gene expression. Recently, deep learning-based methods have shown the capability to predict gene expression from WSI data using ST data. Existing approaches typically extract features from images and the neighboring regions using pretrained models, and then develop methods to fuse this information to generate the final output. However, these methods often fail to account for the cellular structure similarity, cellular density and the interactions within the microenvironment. In this paper, we propose a framework named BG-TRIPLEX, which leverages boundary information extracted from pathological images as guiding features to enhance gene expression prediction from WSIs. Specifically, our model consists of three branches: the spot, in-context and global branches. In the spot and in-context branches, boundary information, including edge and nuclei characteristics, is extracted using pretrained models. These boundary features guide the learning of cellular morphology and the characteristics of microenvironment through Multi-Head Cross-Attention. Finally, these features are integrated with global features to predict the final output. Extensive experiments were conducted on three public ST datasets. The results demonstrate that our BG-TRIPLEX consistently outperforms existing methods in terms of Pearson Correlation Coefficient (PCC). This method highlights the crucial role of boundary features in understanding the complex interactions between WSI and gene expression, offering a promising direction for future research.
Distance-Adaptive Quaternion Knowledge Graph Embedding with Bidirectional Rotation
Authors: Weihua Wang, Qiuyu Liang, Feilong Bao, Guanglai Gao
Date: 2024-12-05 00:00:00
Tasks: Graph Embedding, Knowledge Graph Completion, Knowledge Graph Embedding, Link Prediction, Mathematical Proofs, Triplet

Quaternion contains one real part and three imaginary parts, which provided a more expressive hypercomplex space for learning knowledge graph. Existing quaternion embedding models measure the plausibility of a triplet either through semantic matching or geometric distance scoring functions. However, it appears that semantic matching diminishes the separability of entities, while the distance scoring function weakens the semantics of entities. To address this issue, we propose a novel quaternion knowledge graph embedding model. Our model combines semantic matching with entity's geometric distance to better measure the plausibility of triplets. Specifically, in the quaternion space, we perform a right rotation on head entity and a reverse rotation on tail entity to learn rich semantic features. Then, we utilize distance adaptive translations to learn geometric distance between entities. Furthermore, we provide mathematical proofs to demonstrate our model can handle complex logical relationships. Extensive experimental results and analyses show our model significantly outperforms previous models on well-known knowledge graph completion benchmark datasets. Our code is available at https://github.com/llqy123/DaBR.
Mind the Gap: Towards Generalizable Autonomous Penetration Testing via Domain Randomization and Meta-Reinforcement Learning
Authors: Shicheng Zhou, Jingju Liu, Yuliang Lu, Jiahai Yang, Yue Zhang, Jie Chen
Date: 2024-12-05 00:00:00
Tasks: Large Language Model, Meta Reinforcement Learning, Reinforcement Learning (RL)

With increasing numbers of vulnerabilities exposed on the internet, autonomous penetration testing (pentesting) has emerged as a promising research area. Reinforcement learning (RL) is a natural fit for studying this topic. However, two key challenges limit the applicability of RL-based autonomous pentesting in real-world scenarios: (a) training environment dilemma -- training agents in simulated environments is sample-efficient while ensuring their realism remains challenging; (b) poor generalization ability -- agents' policies often perform poorly when transferred to unseen scenarios, with even slight changes potentially causing significant generalization gap. To this end, we propose GAP, a generalizable autonomous pentesting framework that aims to realizes efficient policy training in realistic environments and train generalizable agents capable of drawing inferences about other cases from one instance. GAP introduces a Real-to-Sim-to-Real pipeline that (a) enables end-to-end policy learning in unknown real environments while constructing realistic simulations; (b) improves agents' generalization ability by leveraging domain randomization and meta-RL learning.Specially, we are among the first to apply domain randomization in autonomous pentesting and propose a large language model-powered domain randomization method for synthetic environment generation. We further apply meta-RL to improve agents' generalization ability in unseen environments by leveraging synthetic environments. The combination of two methods effectively bridges the generalization gap and improves agents' policy adaptation performance.Experiments are conducted on various vulnerable virtual machines, with results showing that GAP can enable policy learning in various realistic environments, achieve zero-shot policy transfer in similar environments, and realize rapid policy adaptation in dissimilar environments.
Federated Learning in Mobile Networks: A Comprehensive Case Study on Traffic Forecasting
Authors: Nikolaos Pavlidis, Vasileios Perifanis, Selim F. Yilmaz, Francesc Wilhelmi, Marco Miozzo, Pavlos S. Efraimidis, Remous-Aris Koutsiamanis, Pavol Mulinka, Paolo Dini
Date: 2024-12-05 00:00:00
Tasks: Federated Learning, Management, Prediction, Privacy Preserving, Traffic Prediction

The increasing demand for efficient resource allocation in mobile networks has catalyzed the exploration of innovative solutions that could enhance the task of real-time cellular traffic prediction. Under these circumstances, federated learning (FL) stands out as a distributed and privacy-preserving solution to foster collaboration among different sites, thus enabling responsive near-the-edge solutions. In this paper, we comprehensively study the potential benefits of FL in telecommunications through a case study on federated traffic forecasting using real-world data from base stations (BSs) in Barcelona (Spain). Our study encompasses relevant aspects within the federated experience, including model aggregation techniques, outlier management, the impact of individual clients, personalized learning, and the integration of exogenous sources of data. The performed evaluation is based on both prediction accuracy and sustainability, thus showcasing the environmental impact of employed FL algorithms in various settings. The findings from our study highlight FL as a promising and robust solution for mobile traffic prediction, emphasizing its twin merits as a privacy-conscious and environmentally sustainable approach, while also demonstrating its capability to overcome data heterogeneity and ensure high-quality predictions, marking a significant stride towards its integration in mobile traffic management systems.
Learnable Similarity and Dissimilarity Guided Symmetric Non-Negative Matrix Factorization
Authors: Wenlong Lyu, Yuheng Jia
Date: 2024-12-05 00:00:00
Tasks: Clustering

Symmetric nonnegative matrix factorization (SymNMF) is a powerful tool for clustering, which typically uses the $k$-nearest neighbor ($k$-NN) method to construct similarity matrix. However, $k$-NN may mislead clustering since the neighbors may belong to different clusters, and its reliability generally decreases as $k$ grows. In this paper, we construct the similarity matrix as a weighted $k$-NN graph with learnable weight that reflects the reliability of each $k$-th NN. This approach reduces the search space of the similarity matrix learning to $n - 1$ dimension, as opposed to the $\mathcal{O}(n^2)$ dimension of existing methods, where $n$ represents the number of samples. Moreover, to obtain a discriminative similarity matrix, we introduce a dissimilarity matrix with a dual structure of the similarity matrix, and propose a new form of orthogonality regularization with discussions on its geometric interpretation and numerical stability. An efficient alternative optimization algorithm is designed to solve the proposed model, with theoretically guarantee that the variables converge to a stationary point that satisfies the KKT conditions. The advantage of the proposed model is demonstrated by the comparison with nine state-of-the-art clustering methods on eight datasets. The code is available at \url{https://github.com/lwl-learning/LSDGSymNMF}.
DeepFEA: Deep Learning for Prediction of Transient Finite Element Analysis Solutions
Authors: Georgios Triantafyllou, Panagiotis G. Kalozoumis, George Dimas, Dimitris K. Iakovidis
Date: 2024-12-05 00:00:00
Tasks: Deep Learning

Finite Element Analysis (FEA) is a powerful but computationally intensive method for simulating physical phenomena. Recent advancements in machine learning have led to surrogate models capable of accelerating FEA. Yet there are still limitations in developing surrogates of transient FEA models that can simultaneously predict the solutions for both nodes and elements with applicability on both the 2D and 3D domains. Motivated by this research gap, this study proposes DeepFEA, a deep learning-based framework that leverages a multilayer Convolutional Long Short-Term Memory (ConvLSTM) network branching into two parallel convolutional neural networks to predict the solutions for both nodes and elements of FEA models. The proposed network is optimized using a novel adaptive learning algorithm, called Node-Element Loss Optimization (NELO). NELO minimizes the error occurring at both branches of the network enabling the prediction of solutions for transient FEA simulations. The experimental evaluation of DeepFEA is performed on three datasets in the context of structural mechanics, generated to serve as publicly available reference datasets. The results show that DeepFEA can achieve less than 3% normalized mean and root mean squared error for 2D and 3D simulation scenarios, and inference times that are two orders of magnitude faster than FEA. In contrast, relevant state-of-the-art methods face challenges with multi-dimensional output and dynamic input prediction. Furthermore, DeepFEA's robustness was demonstrated in a real-life biomedical scenario, confirming its suitability for accurate and efficient predictions of FEA simulations.
M2PDE: Compositional Generative Multiphysics and Multi-component PDE Simulation
Authors: Tao Zhang, Zhenhai Liu, Feipeng Qi, Yongjun Jiao, Tailin Wu
Date: 2024-12-05 00:00:00

Multiphysics simulation, which models the interactions between multiple physical processes, and multi-component simulation of complex structures are critical in fields like nuclear and aerospace engineering. Previous studies use numerical solvers or ML-based surrogate models for these simulations. However, multiphysics simulations typically require integrating multiple specialized solvers-each for a specific physical process-into a coupled program, which introduces significant development challenges. Furthermore, existing numerical algorithms struggle with highly complex large-scale structures in multi-component simulations. Here we propose compositional Multiphysics and Multi-component PDE Simulation with Diffusion models (M2PDE) to overcome these challenges. During diffusion-based training, M2PDE learns energy functions modeling the conditional probability of one physical process/component conditioned on other processes/components. In inference, M2PDE generates coupled multiphysics and multi-component solutions by sampling from the joint probability distribution. We evaluate M2PDE on two multiphysics tasks-reaction-diffusion and nuclear thermal coupling-where it achieves more accurate predictions than surrogate models in challenging scenarios. We then apply it to a multi-component prismatic fuel element problem, demonstrating that M2PDE scales from single-component training to a 64-component structure and outperforms existing domain-decomposition and graph-based approaches. The code is available at https://github.com/AI4Science-WestlakeU/M2PDE.
Understanding Memorization in Generative Models via Sharpness in Probability Landscapes
Authors: Dongjae Jeon, Dueun Kim, Albert No
Date: 2024-12-05 00:00:00
Tasks: Memorization

In this paper, we introduce a geometric framework to analyze memorization in diffusion models using the eigenvalues of the Hessian of the log probability density. We propose that memorization arises from isolated points in the learned probability distribution, characterized by sharpness in the probability landscape, as indicated by large negative eigenvalues of the Hessian. Through experiments on various datasets, we demonstrate that these eigenvalues effectively detect and quantify memorization. Our approach provides a clear understanding of memorization in diffusion models and lays the groundwork for developing strategies to ensure secure and reliable generative models
MultiTASC++: A Continuously Adaptive Scheduler for Edge-Based Multi-Device Cascade Inference
Authors: Sokratis Nikolaidis, Stylianos I. Venieris, Iakovos S. Venieris
Date: 2024-12-05 00:00:00

Cascade systems, consisting of a lightweight model processing all samples and a heavier, high-accuracy model refining challenging samples, have become a widely-adopted distributed inference approach to achieving high accuracy and maintaining a low computational burden for mobile and IoT devices. As intelligent indoor environments, like smart homes, continue to expand, a new scenario emerges, the multi-device cascade. In this setting, multiple diverse devices simultaneously utilize a shared heavy model hosted on a server, often situated within or close to the consumer environment. This work introduces MultiTASC++, a continuously adaptive multi-tenancy-aware scheduler that dynamically controls the forwarding decision functions of devices to optimize system throughput while maintaining high accuracy and low latency. Through extensive experimentation in diverse device environments and with varying server-side models, we demonstrate the scheduler's efficacy in consistently maintaining a targeted satisfaction rate while providing the highest available accuracy across different device tiers and workloads of up to 100 devices. This demonstrates its scalability and efficiency in addressing the unique challenges of collaborative DNN inference in dynamic and diverse IoT environments.
LossVal: Efficient Data Valuation for Neural Networks
Authors: Tim Wibiral, Mohamed Karim Belaid, Maximilian Rabus, Ansgar Scherp
Date: 2024-12-05 00:00:00
Tasks: Data Valuation

Assessing the importance of individual training samples is a key challenge in machine learning. Traditional approaches retrain models with and without specific samples, which is computationally expensive and ignores dependencies between data points. We introduce LossVal, an efficient data valuation method that computes importance scores during neural network training by embedding a self-weighting mechanism into loss functions like cross-entropy and mean squared error. LossVal reduces computational costs, making it suitable for large datasets and practical applications. Experiments on classification and regression tasks across multiple datasets show that LossVal effectively identifies noisy samples and is able to distinguish helpful from harmful samples. We examine the gradient calculation of LossVal to highlight its advantages. The source code is available at: https://github.com/twibiral/LossVal
SKIM: Any-bit Quantization Pushing The Limits of Post-Training Quantization
Authors: Runsheng Bai, Bo Liu, Qiang Liu
Date: 2024-12-05 00:00:00
Tasks: Clustering, GPU, Quantization

Large Language Models (LLMs) exhibit impressive performance across various tasks, but deploying them for inference poses challenges. Their high resource demands often necessitate complex, costly multi-GPU pipelines, or the use of smaller, less capable models. While quantization offers a promising solution utilizing lower precision for model storage, existing methods frequently experience significant performance drops at lower precision levels. Additionally, they typically provide only a limited set of solutions at specific bit levels, many of which are extensively manually tuned. To address these challenges, we propose a new method called SKIM: Scaled K-means clustering wIth Mixed precision. Our approach introduces two novel techniques: 1. A greedy algorithm to solve approximately optimal bit allocation across weight channels, and 2. A trainable scaling vector for non-differentiable K-means clustering. These techniques substantially improve performance and can be adapted to any given bit. Notably, in terms of model perplexity, our method narrows the gap between 3-bit quantized LLaMA models and their full precision counterparts by 16.3% on average.
Linear Discriminant Analysis in Credit Scoring: A Transparent Hybrid Model Approach
Authors: Md Shihab Reza, Monirul Islam Mahmud, Ifti Azad Abeer, Nova Ahmed
Date: 2024-12-05 00:00:00
Tasks: Fairness

The development of computing has made credit scoring approaches possible, with various machine learning (ML) and deep learning (DL) techniques becoming more and more valuable. While complex models yield more accurate predictions, their interpretability is often weakened, which is a concern for credit scoring that places importance on decision fairness. As features of the dataset are a crucial factor for the credit scoring system, we implement Linear Discriminant Analysis (LDA) as a feature reduction technique, which reduces the burden of the models complexity. We compared 6 different machine learning models, 1 deep learning model, and a hybrid model with and without using LDA. From the result, we have found our hybrid model, XG-DNN, outperformed other models with the highest accuracy of 99.45% and a 99% F1 score with LDA. Lastly, to interpret model decisions, we have applied 2 different explainable AI techniques named LIME (local) and Morris Sensitivity Analysis (global). Through this research, we showed how feature reduction techniques can be used without affecting the performance and explainability of the model, which can be very useful in resource-constrained settings to optimize the computational workload.
Directed Structural Adaptation to Overcome Statistical Conflicts and Enable Continual Learning
Authors: Zeki Doruk Erden, Boi Faltings
Date: 2024-12-05 00:00:00
Tasks: Continual Learning

Adaptive networks today rely on overparameterized fixed topologies that cannot break through the statistical conflicts they encounter in the data they are exposed to, and are prone to "catastrophic forgetting" as the network attempts to reuse the existing structures to learn new task. We propose a structural adaptation method, DIRAD, that can complexify as needed and in a directed manner without being limited by statistical conflicts within a dataset. We then extend this method and present the PREVAL framework, designed to prevent "catastrophic forgetting" in continual learning by detection of new data and assigning encountered data to suitable models adapted to process them, without needing task labels anywhere in the workflow. We show the reliability of the DIRAD in growing a network with high performance and orders-of-magnitude simpler than fixed topology networks; and demonstrate the proof-of-concept operation of PREVAL, in which continual adaptation to new tasks is observed while being able to detect and discern previously-encountered tasks.