pwc-archive/papers-with-abstracts huggingface dataset:
Hybrid Quantum Neural Networks with Amplitude Encoding: Advancing Recovery Rate Predictions
Authors: Ying Chen, Paul Griffin, Paolo Recchia, Lei Zhou, Hongrui Zhang
Date: 2025-01-27 00:00:00
Tasks: Data Compression, Management, Quantum Machine Learning

Recovery rate prediction plays a pivotal role in bond investment strategies, enhancing risk assessment, optimizing portfolio allocation, improving pricing accuracy, and supporting effective credit risk management. However, forecasting faces challenges like high-dimensional features, small sample sizes, and overfitting. We propose a hybrid Quantum Machine Learning model incorporating Parameterized Quantum Circuits (PQC) within a neural network framework. PQCs inherently preserve unitarity, avoiding computationally costly orthogonality constraints, while amplitude encoding enables exponential data compression, reducing qubit requirements logarithmically. Applied to a global dataset of 1,725 observations (1996-2023), our method achieved superior accuracy (RMSE 0.228) compared to classical neural networks (0.246) and quantum models with angle encoding (0.242), with efficient computation times. This work highlights the potential of hybrid quantum-classical architectures in advancing recovery rate forecasting.
Can Molecular Evolution Mechanism Enhance Molecular Representation?
Authors: Kun Li, Longtao Hu, Xiantao Cai, Jia Wu, Wenbin Hu
Date: 2025-01-27 00:00:00
Tasks: Molecular Property Prediction, molecular representation, Property Prediction

Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through transformations such as adding, deleting, and modifying atoms and chemical bonds, reflecting specific evolutionary paths. Existing molecular representation methods mainly focus on mining data, such as atomic-level structures and chemical bonds directly from the molecules, often overlooking their evolutionary history. Consequently, we aim to explore the possibility of enhancing molecular representations by simulating the evolutionary process. We extract and analyze the changes in the evolutionary pathway and explore combining it with existing molecular representations. Therefore, this paper proposes the molecular evolutionary network (MEvoN) for molecular representations. First, we construct the MEvoN using molecules with a small number of atoms and generate evolutionary paths utilizing similarity calculations. Then, by modeling the atomic-level changes, MEvoN reveals their impact on molecular properties. Experimental results show that the MEvoN-based molecular property prediction method significantly improves the performance of traditional end-to-end algorithms on several molecular datasets. The code is available at https://anonymous.4open.science/r/MEvoN-7416/.
LemmaHead: RAG Assisted Proof Generation Using Large Language Models
Authors: Tianbo Yang, Mingqi Yang, Hongyi Zhao, Tianshuo Yang
Date: 2025-01-27 00:00:00
Tasks: Automated Theorem Proving, Mathematical Proofs, Mathematical Reasoning, RAG, Retrieval-augmented Generation

Developing the logic necessary to solve mathematical problems or write mathematical proofs is one of the more difficult objectives for large language models (LLMS). Currently, the most popular methods in literature consists of fine-tuning the model on written mathematical content such as academic publications and textbooks, so that the model can learn to emulate the style of mathematical writing. In this project, we explore the effectiveness of using retrieval augmented generation (RAG) to address gaps in the mathematical reasoning of LLMs. We develop LemmaHead, a RAG knowledge base that supplements queries to the model with relevant mathematical context, with particular focus on context from published textbooks. To measure our model's performance in mathematical reasoning, our testing paradigm focuses on the task of automated theorem proving via generating proofs to a given mathematical claim in the Lean formal language.
Enhancing Synthetic Oversampling for Imbalanced Datasets Using Proxima-Orion Neighbors and q-Gaussian Weighting Technique
Authors: Pankaj Yadav, Vivek Vijay, Gulshan Sihag
Date: 2025-01-27 00:00:00
Tasks: Density Estimation, Diversity

In this article, we propose a novel oversampling algorithm to increase the number of instances of minority class in an imbalanced dataset. We select two instances, Proxima and Orion, from the set of all minority class instances, based on a combination of relative distance weights and density estimation of majority class instances. Furthermore, the q-Gaussian distribution is used as a weighting mechanism to produce new synthetic instances to improve the representation and diversity. We conduct a comprehensive experiment on 42 datasets extracted from KEEL software and eight datasets from the UCI ML repository to evaluate the usefulness of the proposed (PO-QG) algorithm. Wilcoxon signed-rank test is used to compare the proposed algorithm with five other existing algorithms. The test results show that the proposed technique improves the overall classification performance. We also demonstrate the PO-QG algorithm to a dataset of Indian patients with sarcopenia.
Memorization and Regularization in Generative Diffusion Models
Authors: Ricardo Baptista, Agnimitra Dasgupta, Nikola B. Kovachki, Assad Oberai, Andrew M. Stuart
Date: 2025-01-27 00:00:00
Tasks: Memorization

Diffusion models have emerged as a powerful framework for generative modeling. At the heart of the methodology is score matching: learning gradients of families of log-densities for noisy versions of the data distribution at different scales. When the loss function adopted in score matching is evaluated using empirical data, rather than the population loss, the minimizer corresponds to the score of a time-dependent Gaussian mixture. However, use of this analytically tractable minimizer leads to data memorization: in both unconditioned and conditioned settings, the generative model returns the training samples. This paper contains an analysis of the dynamical mechanism underlying memorization. The analysis highlights the need for regularization to avoid reproducing the analytically tractable minimizer; and, in so doing, lays the foundations for a principled understanding of how to regularize. Numerical experiments investigate the properties of: (i) Tikhonov regularization; (ii) regularization designed to promote asymptotic consistency; and (iii) regularizations induced by under-parameterization of a neural network or by early stopping when training a neural network. These experiments are evaluated in the context of memorization, and directions for future development of regularization are highlighted.
Investigating Application of Deep Neural Networks in Intrusion Detection System Design
Authors: Mofe O. Jeje
Date: 2025-01-27 00:00:00
Tasks: feature selection, Intrusion Detection, Network Intrusion Detection

Despite decades of development, existing IDSs still face challenges in improving detection accuracy, evasion, and detection of unknown attacks. To solve these problems, many researchers have focused on designing and developing IDSs that use Deep Neural Networks (DNN) which provides advanced methods of threat investigation and detection. Given this reason, the motivation of this research then, is to learn how effective applications of Deep Neural Networks (DNN) can accurately detect and identify malicious network intrusion, while advancing the frontiers of their optimal potential use in network intrusion detection. Using the ASNM-TUN dataset, the study used a Multilayer Perceptron modeling approach in Deep Neural Network to identify network intrusions, in addition to distinguishing them in terms of legitimate network traffic, direct network attacks, and obfuscated network attacks. To further enhance the speed and efficiency of this DNN solution, a thorough feature selection technique called Forward Feature Selection (FFS), which resulted in a significant reduction in the feature subset, was implemented. Using the Multilayer Perceptron model, test results demonstrate no support for the model to accurately and correctly distinguish the classification of network intrusion.
Risk-Aware Distributional Intervention Policies for Language Models
Authors: Bao Nguyen, Binh Nguyen, Duy Nguyen, Viet Anh Nguyen
Date: 2025-01-27 00:00:00

Language models are prone to occasionally undesirable generations, such as harmful or toxic content, despite their impressive capability to produce texts that appear accurate and coherent. This paper presents a new two-stage approach to detect and mitigate undesirable content generations by rectifying activations. First, we train an ensemble of layerwise classifiers to detect undesirable content using activations by minimizing a smooth surrogate of the risk-aware score. Then, for contents that are detected as undesirable, we propose layerwise distributional intervention policies that perturb the attention heads minimally while guaranteeing probabilistically the effectiveness of the intervention. Benchmarks on several language models and datasets show that our method outperforms baselines in reducing the generation of undesirable output.
GraphICL: Unlocking Graph Learning Potential in LLMs through Structured Prompt Design
Authors: Yuanfu Sun, Zhengnan Ma, Yi Fang, Jing Ma, Qiaoyu Tan
Date: 2025-01-27 00:00:00
Tasks: Graph Learning, Graph Neural Network, In-Context Learning, Prompt Engineering

The growing importance of textual and relational systems has driven interest in enhancing large language models (LLMs) for graph-structured data, particularly Text-Attributed Graphs (TAGs), where samples are represented by textual descriptions interconnected by edges. While research has largely focused on developing specialized graph LLMs through task-specific instruction tuning, a comprehensive benchmark for evaluating LLMs solely through prompt design remains surprisingly absent. Without such a carefully crafted evaluation benchmark, most if not all, tailored graph LLMs are compared against general LLMs using simplistic queries (e.g., zero-shot reasoning with LLaMA), which can potentially camouflage many advantages as well as unexpected predicaments of them. To achieve more general evaluations and unveil the true potential of LLMs for graph tasks, we introduce Graph In-context Learning (GraphICL) Benchmark, a comprehensive benchmark comprising novel prompt templates designed to capture graph structure and handle limited label knowledge. Our systematic evaluation shows that general-purpose LLMs equipped with our GraphICL outperform state-of-the-art specialized graph LLMs and graph neural network models in resource-constrained settings and out-of-domain tasks. These findings highlight the significant potential of prompt engineering to enhance LLM performance on graph learning tasks without training and offer a strong baseline for advancing research in graph LLMs.
Scale-Insensitive Neural Network Significance Tests
Authors: Hasan Fallahgoul
Date: 2025-01-27 00:00:00
Tasks: valid

This paper develops a scale-insensitive framework for neural network significance testing, substantially generalizing existing approaches through three key innovations. First, we replace metric entropy calculations with Rademacher complexity bounds, enabling the analysis of neural networks without requiring bounded weights or specific architectural constraints. Second, we weaken the regularity conditions on the target function to require only Sobolev space membership $H^s([-1,1]^d)$ with $s > d/2$, significantly relaxing previous smoothness assumptions while maintaining optimal approximation rates. Third, we introduce a modified sieve space construction based on moment bounds rather than weight constraints, providing a more natural theoretical framework for modern deep learning practices. Our approach achieves these generalizations while preserving optimal convergence rates and establishing valid asymptotic distributions for test statistics. The technical foundation combines localization theory, sharp concentration inequalities, and scale-insensitive complexity measures to handle unbounded weights and general Lipschitz activation functions. This framework better aligns theoretical guarantees with contemporary deep learning practice while maintaining mathematical rigor.
Adversarially Robust Bloom Filters: Privacy, Reductions, and Open Problems
Authors: Hayder Tirmazi
Date: 2025-01-27 00:00:00
Tasks: Adversarial Robustness, model

A Bloom filter is a space-efficient probabilistic data structure that represents a set $S$ of elements from a larger universe $U$. This efficiency comes with a trade-off, namely, it allows for a small chance of false positives. When you query the Bloom filter about an element x, the filter will respond 'Yes' if $x \in S$. If $x \notin S$, it may still respond 'Yes' with probability at most $\varepsilon$. We investigate the adversarial robustness and privacy of Bloom filters, addressing open problems across three prominent frameworks: the game-based model of Naor-Oved-Yogev (NOY), the simulator-based model of Filic et. al., and learning-augmented variants. We prove the first formal connection between the Filic and NOY models, showing that Filic correctness implies AB-test resilience. We resolve a longstanding open question by proving that PRF-backed Bloom filters fail the NOY model's stronger BP-test. Finally, we introduce the first private Bloom filters with differential privacy guarantees, including constructions applicable to learned Bloom filters. Our taxonomy organizes the space of robustness and privacy guarantees, clarifying relationships between models and constructions.
Automatic Machine Learning Framework to Study Morphological Parameters of AGN Host Galaxies within $z < 1.4$ in the Hyper Supreme-Cam Wide Survey
Authors: Chuan Tian, C. Megan Urry, Aritra Ghosh, Daisuke Nagai, Tonima T. Ananna, Meredith C. Powell, Connor Auge, Aayush Mishra, David B. Sanders, Nico Cappelluti, Kevin Schawinski
Date: 2025-01-27 00:00:00
Tasks: Transfer Learning

We present a composite machine learning framework to estimate posterior probability distributions of bulge-to-total light ratio, half-light radius, and flux for Active Galactic Nucleus (AGN) host galaxies within $z<1.4$ and $m<23$ in the Hyper Supreme-Cam Wide survey. We divide the data into five redshift bins: low ($0<z<0.25$), mid ($0.25<z<0.5$), high ($0.5<z<0.9$), extra ($0.9<z<1.1$) and extreme ($1.1<z<1.4$), and train our models independently in each bin. We use PSFGAN to decompose the AGN point source light from its host galaxy, and invoke the Galaxy Morphology Posterior Estimation Network (GaMPEN) to estimate morphological parameters of the recovered host galaxy. We first trained our models on simulated data, and then fine-tuned our algorithm via transfer learning using labeled real data. To create training labels for transfer learning, we used GALFIT to fit $\sim 20,000$ real HSC galaxies in each redshift bin. We comprehensively examined that the predicted values from our final models agree well with the GALFIT values for the vast majority of cases. Our PSFGAN + GaMPEN framework runs at least three orders of magnitude faster than traditional light-profile fitting methods, and can be easily retrained for other morphological parameters or on other datasets with diverse ranges of resolutions, seeing conditions, and signal-to-noise ratios, making it an ideal tool for analyzing AGN host galaxies from large surveys coming soon from the Rubin-LSST, Euclid, and Roman telescopes.
Geometric Deep Learning for Automated Landmarking of Maxillary Arches on 3D Oral Scans from Newborns with Cleft Lip and Palate
Authors: Artur Agaronyan, HyeRan Choo, Marius Linguraru, Syed Muhammad Anwar
Date: 2025-01-27 00:00:00

Rapid advances in 3D model scanning have enabled the mass digitization of dental clay models. However, most clinicians and researchers continue to use manual morphometric analysis methods on these models such as landmarking. This is a significant step in treatment planning for craniomaxillofacial conditions. We aimed to develop and test a geometric deep learning model that would accurately and reliably label landmarks on a complicated and specialized patient population -- infants, as accurately as a human specialist without a large amount of training data. Our developed pipeline demonstrated an accuracy of 94.44% with an absolute mean error of 1.676 +/- 0.959 mm on a set of 100 models acquired from newborn babies with cleft lip and palate. Our proposed pipeline has the potential to serve as a fast, accurate, and reliable quantifier of maxillary arch morphometric features, as well as an integral step towards a future fully automated dental treatment pipeline.
Selective Experience Sharing in Reinforcement Learning Enhances Interference Management
Authors: Madan Dahal, Mojtaba Vaezi
Date: 2025-01-27 00:00:00
Tasks: Management, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

We propose a novel multi-agent reinforcement learning (RL) approach for inter-cell interference mitigation, in which agents selectively share their experiences with other agents. Each base station is equipped with an agent, which receives signal-to-interference-plus-noise ratio from its own associated users. This information is used to evaluate and selectively share experiences with neighboring agents. The idea is that even a few pertinent experiences from other agents can lead to effective learning. This approach enables fully decentralized training and execution, minimizes information sharing between agents and significantly reduces communication overhead, which is typically the burden of interference management. The proposed method outperforms state-of-the-art multi-agent RL techniques where training is done in a decentralized manner. Furthermore, with a 75% reduction in experience sharing, the proposed algorithm achieves 98% of the spectral efficiency obtained by algorithms sharing all experiences.
Integrating Personalized Federated Learning with Control Systems for Enhanced Performance
Authors: Alice Smith, Bob Johnson, Michael Geller
Date: 2025-01-27 00:00:00
Tasks: Federated Learning, Personalized Federated Learning

In the expanding field of machine learning, federated learning has emerged as a pivotal methodology for distributed data environments, ensuring privacy while leveraging decentralized data sources. However, the heterogeneity of client data and the need for tailored models necessitate the integration of personalization techniques to enhance learning efficacy and model performance. This paper introduces a novel framework that amalgamates personalized federated learning with robust control systems, aimed at optimizing both the learning process and the control of data flow across diverse networked environments. Our approach harnesses personalized algorithms that adapt to the unique characteristics of each client's data, thereby improving the relevance and accuracy of the model for individual nodes without compromising the overall system performance. To manage and control the learning process across the network, we employ a sophisticated control system that dynamically adjusts the parameters based on real-time feedback and system states, ensuring stability and efficiency. Through rigorous experimentation, we demonstrate that our integrated system not only outperforms standard federated learning models in terms of accuracy and learning speed but also maintains system integrity and robustness in face of varying network conditions and data distributions. The experimental results, obtained from a multi-client simulated environment with non-IID data distributions, underscore the benefits of integrating control systems into personalized federated learning frameworks, particularly in scenarios demanding high reliability and precision.
INRet: A General Framework for Accurate Retrieval of INRs for Shapes
Authors: Yushi Guan, Daniel Kwan, Ruofan Liang, Selvakumar Panneer, Nilesh Jain, Nilesh Ahuja, Nandita Vijaykumar
Date: 2025-01-27 00:00:00
Tasks: 3D Scene Reconstruction, 3D Shape Retrieval, Retrieval

Implicit neural representations (INRs) have become an important method for encoding various data types, such as 3D objects or scenes, images, and videos. They have proven to be particularly effective at representing 3D content, e.g., 3D scene reconstruction from 2D images, novel 3D content creation, as well as the representation, interpolation, and completion of 3D shapes. With the widespread generation of 3D data in an INR format, there is a need to support effective organization and retrieval of INRs saved in a data store. A key aspect of retrieval and clustering of INRs in a data store is the formulation of similarity between INRs that would, for example, enable retrieval of similar INRs using a query INR. In this work, we propose INRet, a method for determining similarity between INRs that represent shapes, thus enabling accurate retrieval of similar shape INRs from an INR data store. INRet flexibly supports different INR architectures such as INRs with octree grids, triplanes, and hash grids, as well as different implicit functions including signed/unsigned distance function and occupancy field. We demonstrate that our method is more general and accurate than the existing INR retrieval method, which only supports simple MLP INRs and requires the same architecture between the query and stored INRs. Furthermore, compared to converting INRs to other representations (e.g., point clouds or multi-view images) for 3D shape retrieval, INRet achieves higher accuracy while avoiding the conversion overhead.
CENSOR: Defense Against Gradient Inversion via Orthogonal Subspace Bayesian Sampling
Authors: Kaiyuan Zhang, Siyuan Cheng, Guangyu Shen, Bruno Ribeiro, Shengwei An, Pin-Yu Chen, Xiangyu Zhang, Ninghui Li
Date: 2025-01-27 00:00:00
Tasks: Federated Learning

Federated learning collaboratively trains a neural network on a global server, where each local client receives the current global model weights and sends back parameter updates (gradients) based on its local private data. The process of sending these model updates may leak client's private data information. Existing gradient inversion attacks can exploit this vulnerability to recover private training instances from a client's gradient vectors. Recently, researchers have proposed advanced gradient inversion techniques that existing defenses struggle to handle effectively. In this work, we present a novel defense tailored for large neural network models. Our defense capitalizes on the high dimensionality of the model parameters to perturb gradients within a subspace orthogonal to the original gradient. By leveraging cold posteriors over orthogonal subspaces, our defense implements a refined gradient update mechanism. This enables the selection of an optimal gradient that not only safeguards against gradient inversion attacks but also maintains model utility. We conduct comprehensive experiments across three different datasets and evaluate our defense against various state-of-the-art attacks and defenses. Code is available at https://censor-gradient.github.io.