pwc-archive/papers-with-abstracts huggingface dataset:
Respecting the limit:Bayesian optimization with a bound on the optimal value
Authors: HanYang Wang, Juergen Branke, Matthias Poloczek
Date: 2024-11-07 00:00:00
Tasks: Bayesian Optimization

In many real-world optimization problems, we have prior information about what objective function values are achievable. In this paper, we study the scenario that we have either exact knowledge of the minimum value or a, possibly inexact, lower bound on its value. We propose bound-aware Bayesian optimization (BABO), a Bayesian optimization method that uses a new surrogate model and acquisition function to utilize such prior information. We present SlogGP, a new surrogate model that incorporates bound information and adapts the Expected Improvement (EI) acquisition function accordingly. Empirical results on a variety of benchmarks demonstrate the benefit of taking prior information about the optimal value into account, and that the proposed approach significantly outperforms existing techniques. Furthermore, we notice that even in the absence of prior information on the bound, the proposed SlogGP surrogate model still performs better than the standard GP model in most cases, which we explain by its larger expressiveness.
Neuromorphic Wireless Split Computing with Multi-Level Spikes
Authors: Dengyu Wu, Jiechen Chen, Bipin Rajendran, H. Vincent Poor, Osvaldo Simeone
Date: 2024-11-07 00:00:00

Inspired by biological processes, neuromorphic computing leverages spiking neural networks (SNNs) to perform inference tasks, offering significant efficiency gains for workloads involving sequential data. Recent advances in hardware and software have shown that embedding a small payload within each spike exchanged between spiking neurons can enhance inference accuracy without increasing energy consumption. To scale neuromorphic computing to larger workloads, split computing - where an SNN is partitioned across two devices - is a promising solution. In such architectures, the device hosting the initial layers must transmit information about the spikes generated by its output neurons to the second device. This establishes a trade-off between the benefits of multi-level spikes, which carry additional payload information, and the communication resources required for transmitting extra bits between devices. This paper presents the first comprehensive study of a neuromorphic wireless split computing architecture that employs multi-level SNNs. We propose digital and analog modulation schemes for an orthogonal frequency division multiplexing (OFDM) radio interface to enable efficient communication. Simulation and experimental results using software-defined radios reveal performance improvements achieved by multi-level SNN models and provide insights into the optimal payload size as a function of the connection quality between the transmitter and receiver.
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs
Authors: Chengxin Hu, Hao Li
Date: 2024-11-07 00:00:00

Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as predicting chemical reaction outcomes and describing molecular properties. However, most current work overlooks the multi-level nature of graph features. The impact of different feature levels on LLMs and the importance of each level remain unexplored, and it is possible that different chemistry tasks require different feature levels. In this work, we first investigate the effect of feature granularity by fusing GNN-generated feature tokens, discovering that even reducing all tokens to a single token does not significantly impact performance. We then explore the effect of various feature levels on performance, finding that both the quality of LLM-generated molecules and performance on different tasks benefit from different feature levels. We conclude with two key insights: (1) current molecular Multimodal LLMs(MLLMs) lack a comprehensive understanding of graph features, and (2) static processing is not sufficient for hierarchical graph feature. Our code will be publicly available soon.
Field Assessment of Force Torque Sensors for Planetary Rover Navigation
Authors: Levin Gerdes, Carlos Pérez del Pulgar, Raúl Castilla Arquillo, Martin Azkarate
Date: 2024-11-07 00:00:00
Tasks: State Estimation, Terrain Estimation

Proprioceptive sensors on planetary rovers serve for state estimation and for understanding terrain and locomotion performance. While inertial measurement units (IMUs) are widely used to this effect, force-torque sensors are less explored for planetary navigation despite their potential to directly measure interaction forces and provide insights into traction performance. This paper presents an evaluation of the performance and use cases of force-torque sensors based on data collected from a six-wheeled rover during tests over varying terrains, speeds, and slopes. We discuss challenges, such as sensor signal reliability and terrain response accuracy, and identify opportunities regarding the use of these sensors. The data is openly accessible and includes force-torque measurements from each of the six-wheel assemblies as well as IMU data from within the rover chassis. This paper aims to inform the design of future studies and rover upgrades, particularly in sensor integration and control algorithms, to improve navigation capabilities.
Is network fragmentation a useful complexity measure?
Authors: Coenraad Mouton, Randle Rabe, Daniël G. Haasbroek, Marthinus W. Theunissen, Hermanus L. Potgieter, Marelie H. Davel
Date: 2024-11-07 00:00:00
Tasks: image-classification, Image Classification

It has been observed that the input space of deep neural network classifiers can exhibit `fragmentation', where the model function rapidly changes class as the input space is traversed. The severity of this fragmentation tends to follow the double descent curve, achieving a maximum at the interpolation regime. We study this phenomenon in the context of image classification and ask whether fragmentation could be predictive of generalization performance. Using a fragmentation-based complexity measure, we show this to be possible by achieving good performance on the PGDL (Predicting Generalization in Deep Learning) benchmark. In addition, we report on new observations related to fragmentation, namely (i) fragmentation is not limited to the input space but occurs in the hidden representations as well, (ii) fragmentation follows the trends in the validation error throughout training, and (iii) fragmentation is not a direct result of increased weight norms. Together, this indicates that fragmentation is a phenomenon worth investigating further when studying the generalization ability of deep neural networks.
Differential Privacy in Continual Learning: Which Labels to Update?
Authors: Marlon Tobaben, Talal Alrawajfeh, Marcus Klasson, Mikko Heikkilä, Arno Solin, Antti Honkela
Date: 2024-11-07 00:00:00
Tasks: Continual Learning, valid

The goal of continual learning (CL) is to retain knowledge across tasks, but this conflicts with strict privacy required for sensitive training data that prevents storing or memorising individual samples. To address that, we combine CL and differential privacy (DP). We highlight that failing to account for privacy leakage through the set of labels a model can output can break the privacy of otherwise valid DP algorithms. This is especially relevant in CL. We show that mitigating the issue with a data-independent overly large label space can have minimal negative impact on utility when fine-tuning a pre-trained model under DP, while learning the labels with a separate DP mechanism risks losing small classes.
Semantic-Aware Resource Management for C-V2X Platooning via Multi-Agent Reinforcement Learning
Authors: Wenjun Zhang, Qiong Wu, Pingyi Fan, Kezhi Wang, Nan Cheng, Wen Chen, Khaled B. Letaief
Date: 2024-11-07 00:00:00
Tasks: Decision Making, Fairness, Management, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Semantic Communication, Semantic Similarity, Semantic Textual Similarity

Semantic communication transmits the extracted features of information rather than raw data, significantly reducing redundancy, which is crucial for addressing spectrum and energy challenges in 6G networks. In this paper, we introduce semantic communication into a cellular vehicle-to-everything (C-V2X)- based autonomous vehicle platoon system for the first time, aiming to achieve efficient management of communication resources in a dynamic environment. Firstly, we construct a mathematical model for semantic communication in platoon systems, in which the DeepSC model and MU-DeepSC model are used to semantically encode and decode unimodal and multi-modal data, respectively. Then, we propose the quality of experience (QoE) metric based on semantic similarity and semantic rate. Meanwhile, we consider the success rate of semantic information transmission (SRS) metric to ensure the fairness of channel resource allocation. Next, the optimization problem is posed with the aim of maximizing the QoE in vehicle-to-vehicle (V2V) links while improving SRS. To solve this mixed integer nonlinear programming problem (MINLP) and adapt to time-varying channel conditions, the paper proposes a distributed semantic-aware multi-modal resource allocation (SAMRA) algorithm based on multi-agent reinforcement learning (MARL), referred to as SAMRAMARL. The algorithm can dynamically allocate channels and power and determine semantic symbol length based on the contextual importance of the transmitted information, ensuring efficient resource utilization. Finally, extensive simulations have demonstrated that SAMRAMARL outperforms existing methods, achieving significant gains in QoE, SRS, and communication delay in C-V2X platooning scenarios.
Enhancing Trust in Clinically Significant Prostate Cancer Prediction with Multiple Magnetic Resonance Imaging Modalities
Authors: Benjamin Ng, Chi-en Amy Tai, E. Zhixuan Zeng, Alexander Wong
Date: 2024-11-07 00:00:00

In the United States, prostate cancer is the second leading cause of deaths in males with a predicted 35,250 deaths in 2024. However, most diagnoses are non-lethal and deemed clinically insignificant which means that the patient will likely not be impacted by the cancer over their lifetime. As a result, numerous research studies have explored the accuracy of predicting clinical significance of prostate cancer based on magnetic resonance imaging (MRI) modalities and deep neural networks. Despite their high performance, these models are not trusted by most clinical scientists as they are trained solely on a single modality whereas clinical scientists often use multiple magnetic resonance imaging modalities during their diagnosis. In this paper, we investigate combining multiple MRI modalities to train a deep learning model to enhance trust in the models for clinically significant prostate cancer prediction. The promising performance and proposed training pipeline showcase the benefits of incorporating multiple MRI modalities for enhanced trust and accuracy.
Centrality Graph Shift Operators for Graph Neural Networks
Authors: Yassine Abbahaddou, Fragkiskos D. Malliaros, Johannes F. Lutzeyer, Michalis Vazirgiannis
Date: 2024-11-07 00:00:00
Tasks: Graph Attention, Graph Neural Network, Graph Representation Learning, Representation Learning

Graph Shift Operators (GSOs), such as the adjacency and graph Laplacian matrices, play a fundamental role in graph theory and graph representation learning. Traditional GSOs are typically constructed by normalizing the adjacency matrix by the degree matrix, a local centrality metric. In this work, we instead propose and study Centrality GSOs (CGSOs), which normalize adjacency matrices by global centrality metrics such as the PageRank, $k$-core or count of fixed length walks. We study spectral properties of the CGSOs, allowing us to get an understanding of their action on graph signals. We confirm this understanding by defining and running the spectral clustering algorithm based on different CGSOs on several synthetic and real-world datasets. We furthermore outline how our CGSO can act as the message passing operator in any Graph Neural Network and in particular demonstrate strong performance of a variant of the Graph Convolutional Network and Graph Attention Network using our CGSOs on several real-world benchmark datasets.
IGDrivSim: A Benchmark for the Imitation Gap in Autonomous Driving
Authors: Clémence Grislain, Risto Vuorio, Cong Lu, Shimon Whiteson
Date: 2024-11-07 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Imitation Learning, Navigate

Developing autonomous vehicles that can navigate complex environments with human-level safety and efficiency is a central goal in self-driving research. A common approach to achieving this is imitation learning, where agents are trained to mimic human expert demonstrations collected from real-world driving scenarios. However, discrepancies between human perception and the self-driving car's sensors can introduce an $\textit{imitation}$ gap, leading to imitation learning failures. In this work, we introduce $\textbf{IGDrivSim}$, a benchmark built on top of the Waymax simulator, designed to investigate the effects of the imitation gap in learning autonomous driving policy from human expert demonstrations. Our experiments show that this perception gap between human experts and self-driving agents can hinder the learning of safe and effective driving behaviors. We further show that combining imitation with reinforcement learning, using a simple penalty reward for prohibited behaviors, effectively mitigates these failures. Our code is open-sourced at: https://github.com/clemgris/IGDrivSim.git.
Cybercrime Prediction via Geographically Weighted Learning
Authors: Muhammad Al-Zafar Khan, Jamal Al-Karaki, Emad Mahafzah
Date: 2024-11-07 00:00:00
Tasks: Graph Neural Network, Prediction

Inspired by the success of Geographically Weighted Regression and its accounting for spatial variations, we propose GeogGNN -- A graph neural network model that accounts for geographical latitude and longitudinal points. Using a synthetically generated dataset, we apply the algorithm for a 4-class classification problem in cybersecurity with seemingly realistic geographic coordinates centered in the Gulf Cooperation Council region. We demonstrate that it has higher accuracy than standard neural networks and convolutional neural networks that treat the coordinates as features. Encouraged by the speed-up in model accuracy by the GeogGNN model, we provide a general mathematical result that demonstrates that a geometrically weighted neural network will, in principle, always display higher accuracy in the classification of spatially dependent data by making use of spatial continuity and local averaging features.
Sharp Analysis for KL-Regularized Contextual Bandits and RLHF
Authors: Heyang Zhao, Chenlu Ye, Quanquan Gu, Tong Zhang
Date: 2024-11-07 00:00:00
Tasks: Multi-Armed Bandits, Reinforcement Learning (RL)

Reverse-Kullback-Leibler (KL) regularization has emerged to be a predominant technique used to enhance policy optimization in reinforcement learning (RL) and reinforcement learning from human feedback (RLHF), which forces the learned policy to stay close to a reference policy. While the effectiveness and necessity of KL-regularization have been empirically demonstrated in various practical scenarios, current theoretical analysis of KL-regularized RLHF still obtains the same $\mathcal{O}(1 / \epsilon^2)$ sample complexity as problems without KL-regularization. To understand the fundamental distinction between policy learning objectives with KL-regularization and ones without KL-regularization, we are the first to theoretically demonstrate the power of KL-regularization by providing a sharp analysis for KL-regularized contextual bandits and RLHF, revealing an $\mathcal{O}(1 / \epsilon)$ sample complexity when $\epsilon$ is sufficiently small. We further explore the role of data coverage in contextual bandits and RLHF. While the coverage assumption is commonly employed in offline RLHF to link the samples from the reference policy to the optimal policy, often at the cost of a multiplicative dependence on the coverage coefficient, its impact on the sample complexity of online RLHF remains unclear. Previous theoretical analyses of online RLHF typically require explicit exploration and additional structural assumptions on the reward function class. In contrast, we show that with sufficient coverage from the reference policy, a simple two-stage mixed sampling strategy can achieve a sample complexity with only an additive dependence on the coverage coefficient. Our results provide a comprehensive understanding of the roles of KL-regularization and data coverage in RLHF, shedding light on the design of more efficient RLHF algorithms.
Towards Robust Federated Analytics via Differentially Private Measurements of Statistical Heterogeneity
Authors: Mary Scott, Graham Cormode, Carsten Maple
Date: 2024-11-07 00:00:00

Statistical heterogeneity is a measure of how skewed the samples of a dataset are. It is a common problem in the study of differential privacy that the usage of a statistically heterogeneous dataset results in a significant loss of accuracy. In federated scenarios, statistical heterogeneity is more likely to happen, and so the above problem is even more pressing. We explore the three most promising ways to measure statistical heterogeneity and give formulae for their accuracy, while simultaneously incorporating differential privacy. We find the optimum privacy parameters via an analytic mechanism, which incorporates root finding methods. We validate the main theorems and related hypotheses experimentally, and test the robustness of the analytic mechanism to different heterogeneity levels. The analytic mechanism in a distributed setting delivers superior accuracy to all combinations involving the classic mechanism and/or the centralized setting. All measures of statistical heterogeneity do not lose significant accuracy when a heterogeneous sample is used.
Higher-Order GNNs Meet Efficiency: Sparse Sobolev Graph Neural Networks
Authors: Jhony H. Giraldo, Aref Einizade, Andjela Todorovic, Jhon A. Castro-Correa, Mohsen Badiey, Thierry Bouwmans, Fragkiskos D. Malliaros
Date: 2024-11-07 00:00:00
Tasks: Graph Mining, Node Classification

Graph Neural Networks (GNNs) have shown great promise in modeling relationships between nodes in a graph, but capturing higher-order relationships remains a challenge for large-scale networks. Previous studies have primarily attempted to utilize the information from higher-order neighbors in the graph, involving the incorporation of powers of the shift operator, such as the graph Laplacian or adjacency matrix. This approach comes with a trade-off in terms of increased computational and memory demands. Relying on graph spectral theory, we make a fundamental observation: the regular and the Hadamard power of the Laplacian matrix behave similarly in the spectrum. This observation has significant implications for capturing higher-order information in GNNs for various tasks such as node classification and semi-supervised learning. Consequently, we propose a novel graph convolutional operator based on the sparse Sobolev norm of graph signals. Our approach, known as Sparse Sobolev GNN (S2-GNN), employs Hadamard products between matrices to maintain the sparsity level in graph representations. S2-GNN utilizes a cascade of filters with increasing Hadamard powers to generate a diverse set of functions. We theoretically analyze the stability of S2-GNN to show the robustness of the model against possible graph perturbations. We also conduct a comprehensive evaluation of S2-GNN across various graph mining, semi-supervised node classification, and computer vision tasks. In particular use cases, our algorithm demonstrates competitive performance compared to state-of-the-art GNNs in terms of performance and running time.
Pruning Literals for Highly Efficient Explainability at Word Level
Authors: Rohan Kumar Yadav, Bimal Bhattarai, Abhik Jana, Lei Jiao, Seid Muhie Yimam
Date: 2024-11-07 00:00:00

Designing an explainable model becomes crucial now for Natural Language Processing(NLP) since most of the state-of-the-art machine learning models provide a limited explanation for the prediction. In the spectrum of an explainable model, Tsetlin Machine(TM) is promising because of its capability of providing word-level explanation using proposition logic. However, concern rises over the elaborated combination of literals (propositional logic) in the clause that makes the model difficult for humans to comprehend, despite having a transparent learning process. In this paper, we design a post-hoc pruning of clauses that eliminate the randomly placed literals in the clause thereby making the model more efficiently interpretable than the vanilla TM. Experiments on the publicly available YELP-HAT Dataset demonstrate that the proposed pruned TM's attention map aligns more with the human attention map than the vanilla TM's attention map. In addition, the pairwise similarity measure also surpasses the attention map-based neural network models. In terms of accuracy, the proposed pruning method does not degrade the accuracy significantly but rather enhances the performance up to 4% to 9% in some test data.
Uncertainty Prediction Neural Network (UpNet): Embedding Artificial Neural Network in Bayesian Inversion Framework to Quantify the Uncertainty of Remote Sensing Retrieval
Authors: Dasheng Fan, Xihan Mu, Yongkang Lai, Donghui Xie, Guangjian Yan
Date: 2024-11-07 00:00:00
Tasks: Bayesian Inference, Computational Efficiency, Retrieval, Uncertainty Quantification

For the retrieval of large-scale vegetation biophysical parameters, the inversion of radiative transfer models (RTMs) is the most commonly used approach. In recent years, Artificial Neural Network (ANN)-based methods have become the mainstream for inverting RTMs due to their high accuracy and computational efficiency. It has been widely used in the retrieval of biophysical variables (BV). However, due to the lack of the Bayesian inversion theory interpretation, it faces challenges in quantifying the retrieval uncertainty, a crucial metric for product quality validation and downstream applications such as data assimilation or ecosystem carbon cycling modeling. This study proved that the ANN trained with squared loss outputs the posterior mean, providing a rigorous foundation for its uncertainty quantification, regularization, and incorporation of prior information. A Bayesian theoretical framework was subsequently proposed for ANN-based methods. Using this framework, we derived a new algorithm called Uncertainty Prediction Neural Network (UpNet), which enables the simultaneous training of two ANNs to retrieve BV and provide retrieval uncertainty. To validate our method, we compared UpNet with the standard Bayesian inference method, i.e., Markov Chain Monte Carlo (MCMC), in the inversion of a widely used RTM called ProSAIL for retrieving BVs and estimating uncertainty. The results demonstrated that the BVs retrieved and the uncertainties estimated by UpNet were highly consistent with those from MCMC, achieving over a million-fold acceleration. These results indicated that UpNet has significant potential for fast retrieval and uncertainty quantification of BVs or other parameters with medium and high-resolution remote sensing data. Our Python implementation is available at: https://github.com/Dash-RSer/UpNet.