pwc-archive/papers-with-abstracts huggingface dataset:
A Survey of AI for Materials Science: Foundation Models, LLM Agents, Datasets, and Tools
Authors: Minh-Hao Van, Prateek Verma, Chen Zhao, Xintao Wu
Date: 2025-06-25 00:00:00
Tasks: Continual Learning, Domain Generalization, Large Language Model, Property Prediction, scientific discovery

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are typically narrow in scope and require task-specific engineering, FMs offer cross-domain generalization and exhibit emergent capabilities. Their versatility is especially well-suited to materials science, where research challenges span diverse data types and scales. This survey provides a comprehensive overview of foundation models, agentic systems, datasets, and computational tools supporting this growing field. We introduce a task-driven taxonomy encompassing six broad application areas: data extraction, interpretation and Q\&A; atomistic simulation; property prediction; materials structure, design and discovery; process planning, discovery, and optimization; and multiscale modeling. We discuss recent advances in both unimodal and multimodal FMs, as well as emerging large language model (LLM) agents. Furthermore, we review standardized datasets, open-source tools, and autonomous experimental platforms that collectively fuel the development and integration of FMs into research workflows. We assess the early successes of foundation models and identify persistent limitations, including challenges in generalizability, interpretability, data imbalance, safety concerns, and limited multimodal fusion. Finally, we articulate future research directions centered on scalable pretraining, continual learning, data governance, and trustworthiness.
Explain First, Trust Later: LLM-Augmented Explanations for Graph-Based Crypto Anomaly Detection
Authors: Adriana Watson
Date: 2025-06-17 00:00:00
Tasks: Anomaly Detection

The decentralized finance (DeFi) community has grown rapidly in recent years, pushed forward by cryptocurrency enthusiasts interested in the vast untapped potential of new markets. The surge in popularity of cryptocurrency has ushered in a new era of financial crime. Unfortunately, the novelty of the technology makes the task of catching and prosecuting offenders particularly challenging. Thus, it is necessary to implement automated detection tools related to policies to address the growing criminality in the cryptocurrency realm.
Transformers Beyond Order: A Chaos-Markov-Gaussian Framework for Short-Term Sentiment Forecasting of Any Financial OHLC timeseries Data
Authors: Arif Pathan
Date: 2025-06-06 00:00:00
Tasks: Feature Engineering, Gaussian Processes

Short-term sentiment forecasting in financial markets (e.g., stocks, indices) is challenging due to volatility, non-linearity, and noise in OHLC (Open, High, Low, Close) data. This paper introduces a novel CMG (Chaos-Markov-Gaussian) framework that integrates chaos theory, Markov property, and Gaussian processes to improve prediction accuracy. Chaos theory captures nonlinear dynamics; the Markov chain models regime shifts; Gaussian processes add probabilistic reasoning. We enhance the framework with transformer-based deep learning models to capture temporal patterns efficiently. The CMG Framework is designed for fast, resource-efficient, and accurate forecasting of any financial instrument's OHLC time series. Unlike traditional models that require heavy infrastructure and instrument-specific tuning, CMG reduces overhead and generalizes well. We evaluate the framework on market indices, forecasting sentiment for the next trading day's first quarter. A comparative study against statistical, ML, and DL baselines trained on the same dataset with no feature engineering shows CMG consistently outperforms in accuracy and efficiency, making it valuable for analysts and financial institutions.
Local Averaging Accurately Distills Manifold Structure From Noisy Data
Authors: Yihan Shen, Shiyu Wang, Arnaud Lamy, Mariam Avagyan, John Wright
Date: 2025-06-23 00:00:00
Tasks: Denoising, Dimensionality Reduction

High-dimensional data are ubiquitous, with examples ranging from natural images to scientific datasets, and often reside near low-dimensional manifolds. Leveraging this geometric structure is vital for downstream tasks, including signal denoising, reconstruction, and generation. However, in practice, the manifold is typically unknown and only noisy samples are available. A fundamental approach to uncovering the manifold structure is local averaging, which is a cornerstone of state-of-the-art provable methods for manifold fitting and denoising. However, to the best of our knowledge, there are no works that rigorously analyze the accuracy of local averaging in a manifold setting in high-noise regimes. In this work, we provide theoretical analyses of a two-round mini-batch local averaging method applied to noisy samples drawn from a $d$-dimensional manifold $\mathcal M \subset \mathbb{R}^D$, under a relatively high-noise regime where the noise size is comparable to the reach $\tau$. We show that with high probability, the averaged point $\hat{\mathbf q}$ achieves the bound $d(\hat{\mathbf q}, \mathcal M) \leq \sigma \sqrt{d\left(1+\frac{\kappa\mathrm{diam}(\mathcal {M})}{\log(D)}\right)}$, where $\sigma, \mathrm{diam(\mathcal M)},\kappa$ denote the standard deviation of the Gaussian noise, manifold's diameter and a bound on its extrinsic curvature, respectively. This is the first analysis of local averaging accuracy over the manifold in the relatively high noise regime where $\sigma \sqrt{D} \approx \tau$. The proposed method can serve as a preprocessing step for a wide range of provable methods designed for lower-noise regimes. Additionally, our framework can provide a theoretical foundation for a broad spectrum of denoising and dimensionality reduction methods that rely on local averaging techniques.
TDACloud: Point Cloud Recognition Using Topological Data Analysis
Authors: Anirban Ghosh, Ian Dahlin, Ayan Dutta
Date: 2025-06-23 00:00:00
Tasks: Autonomous Driving, GPU, Topological Data Analysis

Point cloud-based object/place recognition remains a problem of interest in applications such as autonomous driving, scene reconstruction, and localization. Extracting meaningful local descriptors from a query point cloud that can be matched with the descriptors of the collected point clouds is a challenging problem. Furthermore, when the query point cloud is noisy or has been transformed (e.g., rotated), it adds to the complexity. To this end, we propose a novel methodology, named TDACloud, using Topological Data Analysis (TDA) for local descriptor extraction from a point cloud, which does not need resource-intensive GPU-based machine learning training. More specifically, we used the ATOL vectorization method to generate vectors for point clouds. Unlike voxelization, our proposed technique can take raw point clouds as inputs and outputs a fixed-size TDA-descriptor vector. To test the quality of the proposed TDACloud technique, we have implemented it on multiple real-world (e.g., Oxford RobotCar, KITTI-360) and realistic (e.g., ShapeNet) point cloud datasets for object and place recognition. We have also tested TDACloud on noisy and transformed test cases where the query point cloud has been scaled, translated, or rotated. Our results demonstrate high recognition accuracies in noisy conditions and large-scale real-world place recognition while outperforming the baselines by up to approximately 14%.
Wavelet-based Global Orientation and Surface Reconstruction for Point Clouds
Authors: Yueji Ma, Yanzun Meng, Dong Xiao, Zuoqiang Shi, Bin Wang
Date: 2025-06-19 00:00:00
Tasks: CPU, Surface Reconstruction

Unoriented surface reconstruction is an important task in computer graphics and has extensive applications. Based on the compact support of wavelet and orthogonality properties, classic wavelet surface reconstruction achieves good and fast reconstruction. However, this method can only handle oriented points. Despite some improved attempts for unoriented points, such as iWSR, these methods perform poorly on sparse point clouds. To address these shortcomings, we propose a wavelet-based method to represent the mollified indicator function and complete both the orientation and surface reconstruction tasks. We use the modifying kernel function to smoothen out discontinuities on the surface, aligning with the continuity of the wavelet basis function. During the calculation of coefficient, we fully utilize the properties of the convolutional kernel function to shift the modifying computation onto wavelet basis to accelerate. In addition, we propose a novel method for constructing the divergence-free function field and using them to construct the additional homogeneous constraints to improve the effectiveness and stability. Extensive experiments demonstrate that our method achieves state-of-the-art performance in both orientation and reconstruction for sparse models. We align the matrix construction with the compact support property of wavelet basis functions to further accelerate our method, resulting in efficient performance on CPU. Our source codes will be released on GitHub.
HARPT: A Corpus for Analyzing Consumers' Trust and Privacy Concerns in Mobile Health Apps
Authors: Timoteo Kelly, Abdulkadir Korkmaz, Samuel Mallet, Connor Souders, Sadra Aliakbarpour, Praveen Rao
Date: 2025-06-24 00:00:00
Tasks: Data Augmentation

We present HARPT, a large-scale annotated corpus of mobile health app store reviews aimed at advancing research in user privacy and trust. The dataset comprises over 480,000 user reviews labeled into seven categories that capture critical aspects of trust in applications, trust in providers and privacy concerns. Creating HARPT required addressing multiple complexities, such as defining a nuanced label schema, isolating relevant content from large volumes of noisy data, and designing an annotation strategy that balanced scalability with accuracy. This strategy integrated rule-based filtering, iterative manual labeling with review, targeted data augmentation, and weak supervision using transformer-based classifiers to accelerate coverage. In parallel, a carefully curated subset of 7,000 reviews was manually annotated to support model development and evaluation. We benchmark a broad range of classification models, demonstrating that strong performance is achievable and providing a baseline for future research. HARPT is released as a public resource to support work in health informatics, cybersecurity, and natural language processing.
PhishKey: A Novel Centroid-Based Approach for Enhanced Phishing Detection Using Adaptive HTML Component Extraction
Authors: Felipe Castaño, Eduardo Fidalgo, Enrique Alegre, Rocio Alaiz-Rodríguez, Raul Orduna, Francesco Zola
Date: 2025-06-26 00:00:00

Phishing attacks pose a significant cybersecurity threat, evolving rapidly to bypass detection mechanisms and exploit human vulnerabilities. This paper introduces PhishKey to address the challenges of adaptability, robustness, and efficiency. PhishKey is a novel phishing detection method using automatic feature extraction from hybrid sources. PhishKey combines character-level processing with Convolutional Neural Networks (CNN) for URL classification, and a Centroid-Based Key Component Phishing Extractor (CAPE) for HTML content at the word level. CAPE reduces noise and ensures complete sample processing avoiding crop operations on the input data. The predictions from both modules are integrated using a soft-voting ensemble to achieve more accurate and reliable classifications. Experimental evaluations on four state-of-the-art datasets demonstrate the effectiveness of PhishKey. It achieves up to 98.70% F1 Score and shows strong resistance to adversarial manipulations such as injection attacks with minimal performance degradation.
Boosting Generative Adversarial Transferability with Self-supervised Vision Transformer Features
Authors: Shangbo Wu, Yu-an Tan, Ruinan Ma, Wencong Ma, Dehua Zhu, Yuanzhang Li
Date: 2025-06-26 00:00:00
Tasks: Contrastive Learning, Self-Supervised Learning

The ability of deep neural networks (DNNs) come from extracting and interpreting features from the data provided. By exploiting intermediate features in DNNs instead of relying on hard labels, we craft adversarial perturbation that generalize more effectively, boosting black-box transferability. These features ubiquitously come from supervised learning in previous work. Inspired by the exceptional synergy between self-supervised learning and the Transformer architecture, this paper explores whether exploiting self-supervised Vision Transformer (ViT) representations can improve adversarial transferability. We present dSVA -- a generative dual self-supervised ViT features attack, that exploits both global structural features from contrastive learning (CL) and local textural features from masked image modeling (MIM), the self-supervised learning paradigm duo for ViTs. We design a novel generative training framework that incorporates a generator to create black-box adversarial examples, and strategies to train the generator by exploiting joint features and the attention mechanism of self-supervised ViTs. Our findings show that CL and MIM enable ViTs to attend to distinct feature tendencies, which, when exploited in tandem, boast great adversarial generalizability. By disrupting dual deep features distilled by self-supervised ViTs, we are rewarded with remarkable black-box transferability to models of various architectures that outperform state-of-the-arts. Code available at https://github.com/spencerwooo/dSVA.
Rational Miner Behaviour, Protocol Stability, and Time Preference: An Austrian and Game-Theoretic Analysis of Bitcoin's Incentive Environment
Authors: Craig Steven Wright
Date: 2025-06-26 00:00:00

This paper integrates Austrian capital theory with repeated game theory to examine strategic miner behaviour under different institutional conditions in blockchain systems. It shows that when protocol rules are mutable, effective time preference rises, undermining rational long-term planning and cooperative equilibria. Using formal game-theoretic analysis and Austrian economic principles, the paper demonstrates how mutable protocols shift miner incentives from productive investment to political rent-seeking and influence games. The original Bitcoin protocol is interpreted as an institutional anchor: a fixed rule-set enabling calculability and low time preference. Drawing on the work of Bohm-Bawerk, Mises, and Hayek, the argument is made that protocol immutability is essential for restoring strategic coherence, entrepreneurial confidence, and sustainable network equilibrium.
SoK: Can Synthetic Images Replace Real Data? A Survey of Utility and Privacy of Synthetic Image Generation
Authors: Yunsung Chung, Yunbei Zhang, Nassir Marrouche, Jihun Hamm
Date: 2025-06-24 00:00:00
Tasks: Image Generation, Privacy Preserving, Survey, Synthetic Data Generation

Advances in generative models have transformed the field of synthetic image generation for privacy-preserving data synthesis (PPDS). However, the field lacks a comprehensive survey and comparison of synthetic image generation methods across diverse settings. In particular, when we generate synthetic images for the purpose of training a classifier, there is a pipeline of generation-sampling-classification which takes private training as input and outputs the final classifier of interest. In this survey, we systematically categorize existing image synthesis methods, privacy attacks, and mitigations along this generation-sampling-classification pipeline. To empirically compare diverse synthesis approaches, we provide a benchmark with representative generative methods and use model-agnostic membership inference attacks (MIAs) as a measure of privacy risk. Through this study, we seek to answer critical questions in PPDS: Can synthetic data effectively replace real data? Which release strategy balances utility and privacy? Do mitigations improve the utility-privacy tradeoff? Which generative models perform best across different scenarios? With a systematic evaluation of diverse methods, our study provides actionable insights into the utility-privacy tradeoffs of synthetic data generation methods and guides the decision on optimal data releasing strategies for real-world applications.
ZKPROV: A Zero-Knowledge Approach to Dataset Provenance for Large Language Models
Authors: Mina Namazi, Alexander Nemecek, Erman Ayday
Date: 2025-06-26 00:00:00
Tasks: Privacy Preserving

As the deployment of large language models (LLMs) grows in sensitive domains, ensuring the integrity of their computational provenance becomes a critical challenge, particularly in regulated sectors such as healthcare, where strict requirements are applied in dataset usage. We introduce ZKPROV, a novel cryptographic framework that enables zero-knowledge proofs of LLM provenance. It allows users to verify that a model is trained on a reliable dataset without revealing sensitive information about it or its parameters. Unlike prior approaches that focus on complete verification of the training process (incurring significant computational cost) or depend on trusted execution environments, ZKPROV offers a distinct balance. Our method cryptographically binds a trained model to its authorized training dataset(s) through zero-knowledge proofs while avoiding proof of every training step. By leveraging dataset-signed metadata and compact model parameter commitments, ZKPROV provides sound and privacy-preserving assurances that the result of the LLM is derived from a model trained on the claimed authorized and relevant dataset. Experimental results demonstrate the efficiency and scalability of the ZKPROV in generating this proof and verifying it, achieving a practical solution for real-world deployments. We also provide formal security guarantees, proving that our approach preserves dataset confidentiality while ensuring trustworthy dataset provenance.
Empowering Digital Agriculture: A Privacy-Preserving Framework for Data Sharing and Collaborative Research
Authors: Osama Zafar, Rosemarie Santa González, Mina Namazi, Alfonso Morales, Erman Ayday
Date: 2025-06-25 00:00:00
Tasks: Data Integration, Dimensionality Reduction, Federated Learning, Privacy Preserving

Data-driven agriculture, which integrates technology and data into agricultural practices, has the potential to improve crop yield, disease resilience, and long-term soil health. However, privacy concerns, such as adverse pricing, discrimination, and resource manipulation, deter farmers from sharing data, as it can be used against them. To address this barrier, we propose a privacy-preserving framework that enables secure data sharing and collaboration for research and development while mitigating privacy risks. The framework combines dimensionality reduction techniques (like Principal Component Analysis (PCA)) and differential privacy by introducing Laplacian noise to protect sensitive information. The proposed framework allows researchers to identify potential collaborators for a target farmer and train personalized machine learning models either on the data of identified collaborators via federated learning or directly on the aggregated privacy-protected data. It also allows farmers to identify potential collaborators based on similarities. We have validated this on real-life datasets, demonstrating robust privacy protection against adversarial attacks and utility performance comparable to a centralized system. We demonstrate how this framework can facilitate collaboration among farmers and help researchers pursue broader research objectives. The adoption of the framework can empower researchers and policymakers to leverage agricultural data responsibly, paving the way for transformative advances in data-driven agriculture. By addressing critical privacy challenges, this work supports secure data integration, fostering innovation and sustainability in agricultural systems.
Leaner Training, Lower Leakage: Revisiting Memorization in LLM Fine-Tuning with LoRA
Authors: Fei Wang, Baochun Li
Date: 2025-06-25 00:00:00
Tasks: Memorization

Memorization in large language models (LLMs) makes them vulnerable to data extraction attacks. While pre-training memorization has been extensively studied, fewer works have explored its impact in fine-tuning, particularly for LoRA fine-tuning, a widely adopted parameter-efficient method. In this work, we re-examine memorization in fine-tuning and uncover a surprising divergence from prior findings across different fine-tuning strategies. Factors such as model scale and data duplication, which strongly influence memorization in pre-training and full fine-tuning, do not follow the same trend in LoRA fine-tuning. Using a more relaxed similarity-based memorization metric, we demonstrate that LoRA significantly reduces memorization risks compared to full fine-tuning, while still maintaining strong task performance.
Universal and Efficient Detection of Adversarial Data through Nonuniform Impact on Network Layers
Authors: Furkan Mumcu, Yasin Yilmaz
Date: 2025-06-25 00:00:00

Deep Neural Networks (DNNs) are notoriously vulnerable to adversarial input designs with limited noise budgets. While numerous successful attacks with subtle modifications to original input have been proposed, defense techniques against these attacks are relatively understudied. Existing defense approaches either focus on improving DNN robustness by negating the effects of perturbations or use a secondary model to detect adversarial data. Although equally important, the attack detection approach, which is studied in this work, provides a more practical defense compared to the robustness approach. We show that the existing detection methods are either ineffective against the state-of-the-art attack techniques or computationally inefficient for real-time processing. We propose a novel universal and efficient method to detect adversarial examples by analyzing the varying degrees of impact of attacks on different DNN layers. {Our method trains a lightweight regression model that predicts deeper-layer features from early-layer features, and uses the prediction error to detect adversarial samples.} Through theoretical arguments and extensive experiments, we demonstrate that our detection method is highly effective, computationally efficient for real-time processing, compatible with any DNN architecture, and applicable across different domains, such as image, video, and audio.
Poster: Enhancing GNN Robustness for Network Intrusion Detection via Agent-based Analysis
Authors: Zhonghao Zhan, Huichi Zhou, Hamed Haddadi
Date: 2025-06-25 00:00:00
Tasks: Adversarial Attack, Intrusion Detection, Network Intrusion Detection

Graph Neural Networks (GNNs) show great promise for Network Intrusion Detection Systems (NIDS), particularly in IoT environments, but suffer performance degradation due to distribution drift and lack robustness against realistic adversarial attacks. Current robustness evaluations often rely on unrealistic synthetic perturbations and lack demonstrations on systematic analysis of different kinds of adversarial attack, which encompass both black-box and white-box scenarios. This work proposes a novel approach to enhance GNN robustness and generalization by employing Large Language Models (LLMs) in an agentic pipeline as simulated cybersecurity expert agents. These agents scrutinize graph structures derived from network flow data, identifying and potentially mitigating suspicious or adversarially perturbed elements before GNN processing. Our experiments, using a framework designed for realistic evaluation and testing with a variety of adversarial attacks including a dataset collected from physical testbed experiments, demonstrate that integrating LLM analysis can significantly improve the resilience of GNN-based NIDS against challenges, showcasing the potential of LLM agent as a complementary layer in intrusion detection architectures.