pwc-archive/papers-with-abstracts huggingface dataset:
Exploring structure diversity in atomic resolution microscopy with graph neural networks
Authors: Zheng Luo, Ming Feng, Zijian Gao, Jinyang Yu, Liang Hu, Tao Wang, Shenao Xue, Shen Zhou, Fangping Ouyang, Dawei Feng, Kele Xu, Shanshan Wang
Date: 2024-10-23 00:00:00
Tasks: Diversity, Few-Shot Learning, Graph Neural Network

The emergence of deep learning (DL) has provided great opportunities for the high-throughput analysis of atomic-resolution micrographs. However, the DL models trained by image patches in fixed size generally lack efficiency and flexibility when processing micrographs containing diversified atomic configurations. Herein, inspired by the similarity between the atomic structures and graphs, we describe a few-shot learning framework based on an equivariant graph neural network (EGNN) to analyze a library of atomic structures (e.g., vacancies, phases, grain boundaries, doping, etc.), showing significantly promoted robustness and three orders of magnitude reduced computing parameters compared to the image-driven DL models, which is especially evident for those aggregated vacancy lines with flexible lattice distortion. Besides, the intuitiveness of graphs enables quantitative and straightforward extraction of the atomic-scale structural features in batches, thus statistically unveiling the self-assembly dynamics of vacancy lines under electron beam irradiation. A versatile model toolkit is established by integrating EGNN sub-models for single structure recognition to process images involving varied configurations in the form of a task chain, leading to the discovery of novel doping configurations with superior electrocatalytic properties for hydrogen evolution reactions. This work provides a powerful tool to explore structure diversity in a fast, accurate, and intelligent manner.
Is Smoothness the Key to Robustness? A Comparison of Attention and Convolution Models Using a Novel Metric
Authors: Baiyuan Chen
Date: 2024-10-23 00:00:00
Tasks: Topological Data Analysis

Robustness is a critical aspect of machine learning models. Existing robustness evaluation approaches often lack theoretical generality or rely heavily on empirical assessments, limiting insights into the structural factors contributing to robustness. Moreover, theoretical robustness analysis is not applicable for direct comparisons between models. To address these challenges, we propose $\textit{TopoLip}$, a metric based on layer-wise analysis that bridges topological data analysis and Lipschitz continuity for robustness evaluation. TopoLip provides a unified framework for both theoretical and empirical robustness comparisons across different architectures or configurations, and it reveals how model parameters influence the robustness of models. Using TopoLip, we demonstrate that attention-based models typically exhibit smoother transformations and greater robustness compared to convolution-based models, as validated through theoretical analysis and adversarial tasks. Our findings establish a connection between architectural design, robustness, and topological properties.
Incremental Learning of Affordances using Markov Logic Networks
Authors: George Potter, Gertjan Burghouts, Joris Sijs
Date: 2024-10-23 00:00:00
Tasks: Incremental Learning

Affordances enable robots to have a semantic understanding of their surroundings. This allows them to have more acting flexibility when completing a given task. Capturing object affordances in a machine learning model is a difficult task, because of their dependence on contextual information. Markov Logic Networks (MLN) combine probabilistic reasoning with logic that is able to capture such context. Mobile robots operate in partially known environments wherein unseen object affordances can be observed. This new information must be incorporated into the existing knowledge, without having to retrain the MLN from scratch. We introduce the MLN Cumulative Learning Algorithm (MLN-CLA). MLN-CLA learns new relations in various knowledge domains by retaining knowledge and only updating the changed knowledge, for which the MLN is retrained. We show that MLN-CLA is effective for accumulative learning and zero-shot affordance inference, outperforming strong baselines.
Self-Supervised Graph Neural Networks for Enhanced Feature Extraction in Heterogeneous Information Networks
Authors: Jianjun Wei, Yue Liu, Xin Huang, Xin Zhang, Wenyi Liu, Xu Yan
Date: 2024-10-23 00:00:00
Tasks: Attribute, Diversity, Graph Neural Network, Self-Supervised Learning

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data often have, traditional GNN methods may be overly dependent on the initial structure and attribute information of the graph, which limits their ability to accurately simulate more complex relationships and patterns in the graph. Therefore, this study proposes a graph neural network model under a self-supervised learning framework, which can flexibly combine different types of additional information of the attribute graph and its nodes, so as to better mine the deep features in the graph data. By introducing a self-supervisory mechanism, it is expected to improve the adaptability of existing models to the diversity and complexity of graph data and improve the overall performance of the model.
A Kernel Perspective on Distillation-based Collaborative Learning
Authors: Sejun Park, Kihun Hong, Ganguk Hwang
Date: 2024-10-23 00:00:00
Tasks: regression

Over the past decade, there is a growing interest in collaborative learning that can enhance AI models of multiple parties. However, it is still challenging to enhance performance them without sharing private data and models from individual parties. One recent promising approach is to develop distillation-based algorithms that exploit unlabeled public data but the results are still unsatisfactory in both theory and practice. To tackle this problem, we rigorously analyze a representative distillation-based algorithm in the view of kernel regression. This work provides the first theoretical results to prove the (nearly) minimax optimality of the nonparametric collaborative learning algorithm that does not directly share local data or models in massively distributed statistically heterogeneous environments. Inspired by our theoretical results, we also propose a practical distillation-based collaborative learning algorithm based on neural network architecture. Our algorithm successfully bridges the gap between our theoretical assumptions and practical settings with neural networks through feature kernel matching. We simulate various regression tasks to verify our theory and demonstrate the practical feasibility of our proposed algorithm.
Predicting Company Growth by Econophysics informed Machine Learning
Authors: Ruyi Tao, Kaiwei Liu, Xu Jing, Jiang Zhang
Date: 2024-10-23 00:00:00
Tasks: Decision Making, Time Series, Time Series Forecasting

Predicting company growth is crucial for strategic adjustment, operational decision-making, risk assessment, and loan eligibility reviews. Traditional models for company growth often focus too much on theory, overlooking practical forecasting, or they rely solely on time series forecasting techniques, ignoring interpretability and the inherent mechanisms of company growth. In this paper, we propose a machine learning-based prediction framework that incorporates an econophysics model for company growth. Our model captures both the intrinsic growth mechanisms of companies led by scaling laws and the fluctuations influenced by random factors and individual decisions, demonstrating superior predictive performance compared with methods that use time series techniques alone. Its advantages are more pronounced in long-range prediction tasks. By explicitly modeling the baseline growth and volatility components, our model is more interpretable.
Adversarial Domain Adaptation for Metal Cutting Sound Detection: Leveraging Abundant Lab Data for Scarce Industry Data
Authors: Mir Imtiaz Mostafiz, Eunseob Kim, Adrian Shuai Li, Elisa Bertino, Martin Byung-Guk Jun, Ali Shakouri
Date: 2024-10-23 00:00:00
Tasks: Domain Adaptation

Cutting state monitoring in the milling process is crucial for improving manufacturing efficiency and tool life. Cutting sound detection using machine learning (ML) models, inspired by experienced machinists, can be employed as a cost-effective and non-intrusive monitoring method in a complex manufacturing environment. However, labeling industry data for training is costly and time-consuming. Moreover, industry data is often scarce. In this study, we propose a novel adversarial domain adaptation (DA) approach to leverage abundant lab data to learn from scarce industry data, both labeled, for training a cutting-sound detection model. Rather than adapting the features from separate domains directly, we project them first into two separate latent spaces that jointly work as the feature space for learning domain-independent representations. We also analyze two different mechanisms for adversarial learning where the discriminator works as an adversary and a critic in separate settings, enabling our model to learn expressive domain-invariant and domain-ingrained features, respectively. We collected cutting sound data from multiple sensors in different locations, prepared datasets from lab and industry domain, and evaluated our learning models on them. Experiments showed that our models outperformed the multi-layer perceptron based vanilla domain adaptation models in labeling tasks on the curated datasets, achieving near 92%, 82% and 85% accuracy respectively for three different sensors installed in industry settings.
Securing Federated Learning against Backdoor Threats with Foundation Model Integration
Authors: Xiaohuan Bi, Xi Li
Date: 2024-10-23 00:00:00
Tasks: Backdoor Attack, Federated Learning

Federated Learning (FL) enables decentralized model training while preserving privacy. Recently, the integration of Foundation Models (FMs) into FL has enhanced performance but introduced a novel backdoor attack mechanism. Attackers can exploit FM vulnerabilities to embed backdoors into synthetic data generated by FMs. During global model fusion, these backdoors are transferred to the global model through compromised synthetic data, subsequently infecting all client models. Existing FL backdoor defenses are ineffective against this novel attack due to its fundamentally different mechanism compared to classic ones. In this work, we propose a novel data-free defense strategy that addresses both classic and novel backdoor attacks in FL. The shared attack pattern lies in the abnormal activations within the hidden feature space during model aggregation. Hence, we propose to constrain internal activations to remain within reasonable ranges, effectively mitigating attacks while preserving model functionality. The activation constraints are optimized using synthetic data alongside FL training. Extensive experiments demonstrate its effectiveness against both novel and classic backdoor attacks, outperforming existing defenses.
DisenGCD: A Meta Multigraph-assisted Disentangled Graph Learning Framework for Cognitive Diagnosis
Authors: Shangshang Yang, Mingyang Chen, Ziwen Wang, Xiaoshan Yu, Panpan Zhang, Haiping Ma, Xingyi Zhang
Date: 2024-10-23 00:00:00
Tasks: cognitive diagnosis, Diagnostic, Graph Attention, Graph Learning

Existing graph learning-based cognitive diagnosis (CD) methods have made relatively good results, but their student, exercise, and concept representations are learned and exchanged in an implicit unified graph, which makes the interaction-agnostic exercise and concept representations be learned poorly, failing to provide high robustness against noise in students' interactions. Besides, lower-order exercise latent representations obtained in shallow layers are not well explored when learning the student representation. To tackle the issues, this paper suggests a meta multigraph-assisted disentangled graph learning framework for CD (DisenGCD), which learns three types of representations on three disentangled graphs: student-exercise-concept interaction, exercise-concept relation, and concept dependency graphs, respectively. Specifically, the latter two graphs are first disentangled from the interaction graph. Then, the student representation is learned from the interaction graph by a devised meta multigraph learning module; multiple learnable propagation paths in this module enable current student latent representation to access lower-order exercise latent representations, which can lead to more effective nad robust student representations learned; the exercise and concept representations are learned on the relation and dependency graphs by graph attention modules. Finally, a novel diagnostic function is devised to handle three disentangled representations for prediction. Experiments show better performance and robustness of DisenGCD than state-of-the-art CD methods and demonstrate the effectiveness of the disentangled learning framework and meta multigraph module. The source code is available at \textcolor{red}{\url{https://github.com/BIMK/Intelligent-Education/tree/main/DisenGCD}}.
Multimodal Information Bottleneck for Deep Reinforcement Learning with Multiple Sensors
Authors: Bang You, Huaping Liu
Date: 2024-10-23 00:00:00
Tasks: Deep Reinforcement Learning, reinforcement-learning, Reinforcement Learning

Reinforcement learning has achieved promising results on robotic control tasks but struggles to leverage information effectively from multiple sensory modalities that differ in many characteristics. Recent works construct auxiliary losses based on reconstruction or mutual information to extract joint representations from multiple sensory inputs to improve the sample efficiency and performance of reinforcement learning algorithms. However, the representations learned by these methods could capture information irrelevant to learning a policy and may degrade the performance. We argue that compressing information in the learned joint representations about raw multimodal observations is helpful, and propose a multimodal information bottleneck model to learn task-relevant joint representations from egocentric images and proprioception. Our model compresses and retains the predictive information in multimodal observations for learning a compressed joint representation, which fuses complementary information from visual and proprioceptive feedback and meanwhile filters out task-irrelevant information in raw multimodal observations. We propose to minimize the upper bound of our multimodal information bottleneck objective for computationally tractable optimization. Experimental evaluations on several challenging locomotion tasks with egocentric images and proprioception show that our method achieves better sample efficiency and zero-shot robustness to unseen white noise than leading baselines. We also empirically demonstrate that leveraging information from egocentric images and proprioception is more helpful for learning policies on locomotion tasks than solely using one single modality.
Predicting 30-Day Hospital Readmission in Medicare Patients: Insights from an LSTM Deep Learning Model
Authors: Xintao Li, Sibei Liu, Dezhi Yu, Yang Zhang, Xiaoyu Liu
Date: 2024-10-23 00:00:00
Tasks: Feature Engineering, Readmission Prediction

Readmissions among Medicare beneficiaries are a major problem for the US healthcare system from a perspective of both healthcare operations and patient caregiving outcomes. Our study analyzes Medicare hospital readmissions using LSTM networks with feature engineering to assess feature contributions. We selected variables from admission-level data, inpatient medical history and patient demography. The LSTM model is designed to capture temporal dynamics from admission-level and patient-level data. On a case study on the MIMIC dataset, the LSTM model outperformed the logistic regression baseline, accurately leveraging temporal features to predict readmission. The major features were the Charlson Comorbidity Index, hospital length of stay, the hospital admissions over the past 6 months, while demographic variables were less impactful. This work suggests that LSTM networks offers a more promising approach to improve Medicare patient readmission prediction. It captures temporal interactions in patient databases, enhancing current prediction models for healthcare providers. Adoption of predictive models into clinical practice may be more effective in identifying Medicare patients to provide early and targeted interventions to improve patient outcomes.
GDDA: Semantic OOD Detection on Graphs under Covariate Shift via Score-Based Diffusion Models
Authors: Zhixia He, Chen Zhao, Minglai Shao, Yujie Lin, Dong Li, Qin Tian
Date: 2024-10-23 00:00:00
Tasks: Out of Distribution (OOD) Detection

Out-of-distribution (OOD) detection poses a significant challenge for Graph Neural Networks (GNNs), particularly in open-world scenarios with varying distribution shifts. Most existing OOD detection methods on graphs primarily focus on identifying instances in test data domains caused by either semantic shifts (changes in data classes) or covariate shifts (changes in data features), while leaving the simultaneous occurrence of both distribution shifts under-explored. In this work, we address both types of shifts simultaneously and introduce a novel challenge for OOD detection on graphs: graph-level semantic OOD detection under covariate shift. In this scenario, variations between the training and test domains result from the concurrent presence of both covariate and semantic shifts, where only graphs associated with unknown classes are identified as OOD samples (OODs). To tackle this challenge, we propose a novel two-phase framework called Graph Disentangled Diffusion Augmentation (GDDA). The first phase focuses on disentangling graph representations into domain-invariant semantic factors and domain-specific style factors. In the second phase, we introduce a novel distribution-shift-controlled score-based generative diffusion model that generates latent factors outside the training semantic and style spaces. Additionally, auxiliary pseudo-in-distribution (InD) and pseudo-OOD graph representations are employed to enhance the effectiveness of the energy-based semantic OOD detector. Extensive empirical studies on three benchmark datasets demonstrate that our approach outperforms state-of-the-art baselines.
MobileSafetyBench: Evaluating Safety of Autonomous Agents in Mobile Device Control
Authors: Juyong Lee, Dongyoon Hahm, June Suk Choi, W. Bradley Knox, Kimin Lee
Date: 2024-10-23 00:00:00

Autonomous agents powered by large language models (LLMs) show promising potential in assistive tasks across various domains, including mobile device control. As these agents interact directly with personal information and device settings, ensuring their safe and reliable behavior is crucial to prevent undesirable outcomes. However, no benchmark exists for standardized evaluation of the safety of mobile device-control agents. In this work, we introduce MobileSafetyBench, a benchmark designed to evaluate the safety of device-control agents within a realistic mobile environment based on Android emulators. We develop a diverse set of tasks involving interactions with various mobile applications, including messaging and banking applications, challenging agents with managing risks encompassing misuse and negative side effects. These tasks include tests to evaluate the safety of agents in daily scenarios as well as their robustness against indirect prompt injection attacks. Our experiments demonstrate that baseline agents, based on state-of-the-art LLMs, often fail to effectively prevent harm while performing the tasks. To mitigate these safety concerns, we propose a prompting method that encourages agents to prioritize safety considerations. While this method shows promise in promoting safer behaviors, there is still considerable room for improvement to fully earn user trust. This highlights the urgent need for continued research to develop more robust safety mechanisms in mobile environments. We open-source our benchmark at: https://mobilesafetybench.github.io/.
Univariate Conditional Variational Autoencoder for Morphogenic Patterns Design in Frontal Polymerization-Based Manufacturing
Authors: Qibang Liu, Pengfei Cai, Diab Abueidda, Sagar Vyas, Seid Koric, Rafael Gomez-Bombarelli, Philippe Geubelle
Date: 2024-10-23 00:00:00

Under some initial and boundary conditions, the rapid reaction-thermal diffusion process taking place during frontal polymerization (FP) destabilizes the planar mode of front propagation, leading to spatially varying, complex hierarchical patterns in thermoset polymeric materials. Although modern reaction-diffusion models can predict the patterns resulting from unstable FP, the inverse design of patterns, which aims to retrieve process conditions that produce a desired pattern, remains an open challenge due to the non-unique and non-intuitive mapping between process conditions and manufactured patterns. In this work, we propose a probabilistic generative model named univariate conditional variational autoencoder (UcVAE) for the inverse design of hierarchical patterns in FP-based manufacturing. Unlike the cVAE, which encodes both the design space and the design target, the UcVAE encodes only the design space. In the encoder of the UcVAE, the number of training parameters is significantly reduced compared to the cVAE, resulting in a shorter training time while maintaining comparable performance. Given desired pattern images, the trained UcVAE can generate multiple process condition solutions that produce high-fidelity hierarchical patterns.
WAGLE: Strategic Weight Attribution for Effective and Modular Unlearning in Large Language Models
Authors: Jinghan Jia, Jiancheng Liu, Yihua Zhang, Parikshit Ram, Nathalie Baracaldo, Sijia Liu
Date: 2024-10-23 00:00:00

The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. Despite growing interest of LLM unlearning, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning, malicious use prevention, and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.