pwc-archive/papers-with-abstracts huggingface dataset:
DeepOFormer: Deep Operator Learning with Domain-informed Features for Fatigue Life Prediction
Authors: Chenyang Li, Tanmay Sunil Kapure, Prokash Chandra Roy, Zhengtao Gan, Bo Shen
Date: 2025-03-28 00:00:00
Tasks: Operator learning, Prediction

Fatigue life characterizes the duration a material can function before failure under specific environmental conditions, and is traditionally assessed using stress-life (S-N) curves. While machine learning and deep learning offer promising results for fatigue life prediction, they face the overfitting challenge because of the small size of fatigue experimental data in specific materials. To address this challenge, we propose, DeepOFormer, by formulating S-N curve prediction as an operator learning problem. DeepOFormer improves the deep operator learning framework with a transformer-based encoder and a mean L2 relative error loss function. We also consider Stussi, Weibull, and Pascual and Meeker (PM) features as domain-informed features. These features are motivated by empirical fatigue models. To evaluate the performance of our DeepOFormer, we compare it with different deep learning models and XGBoost on a dataset with 54 S-N curves of aluminum alloys. With seven different aluminum alloys selected for testing, our DeepOFormer achieves an R2 of 0.9515, a mean absolute error of 0.2080, and a mean relative error of 0.5077, significantly outperforming state-of-the-art deep/machine learning methods including DeepONet, TabTransformer, and XGBoost, etc. The results highlight that our Deep0Former integrating with domain-informed features substantially improves prediction accuracy and generalization capabilities for fatigue life prediction in aluminum alloys.
STADE: Standard Deviation as a Pruning Metric
Authors: Diego Coello de Portugal Mecke, Haya Alyoussef, Ilia Koloiarov, Maximilian Stubbemann, Lars Schmidt-Thieme
Date: 2025-03-28 00:00:00

Recently, Large Language Models (LLMs) have become very widespread and are used to solve a wide variety of tasks. To successfully handle these tasks, LLMs require longer training times and larger model sizes. This makes LLMs ideal candidates for pruning methods that reduce computational demands while maintaining performance. Previous methods require a retraining phase after pruning to maintain the original model's performance. However, state-of-the-art pruning methods, such as Wanda, prune the model without retraining, making the pruning process faster and more efficient. Building upon Wanda's work, this study provides a theoretical explanation of why the method is effective and leverages these insights to enhance the pruning process. Specifically, a theoretical analysis of the pruning problem reveals a common scenario in Machine Learning where Wanda is the optimal pruning method. Furthermore, this analysis is extended to cases where Wanda is no longer optimal, leading to the development of a new method, STADE, based on the standard deviation of the input. From a theoretical standpoint, STADE demonstrates better generality across different scenarios. Finally, extensive experiments on Llama and Open Pre-trained Transformers (OPT) models validate these theoretical findings, showing that depending on the training conditions, Wanda's optimal performance varies as predicted by the theoretical framework. These insights contribute to a more robust understanding of pruning strategies and their practical implications. Code is available at: https://github.com/Coello-dev/STADE/
Comparison between neural network clustering, hierarchical clustering and k-means clustering: Applications using fluidic lenses
Authors: Graciana Puentes
Date: 2025-03-28 00:00:00
Tasks: Clustering

A comparison between neural network clustering (NNC), hierarchical clustering (HC) and K-means clustering (KMC) is performed to evaluate the computational superiority of these three machine learning (ML) techniques for organizing large datasets into clusters. For NNC, a self-organizing map (SOM) training was applied to a collection of wavefront sensor reconstructions, decomposed in terms of 15 Zernike coefficients, characterizing the optical aberrations of the phase front transmitted by fluidic lenses. In order to understand the distribution and structure of the 15 Zernike variables within an input space, SOM-neighboring weight distances, SOM-sample hits, SOM-weight positions and SOM-weight planes were analyzed to form a visual interpretation of the system's structural properties. In the case of HC, the data was partitioned using a combined dissimilarity-linkage matrix computation. The effectiveness of this method was confirmed by a high cophenetic correlation coefficient value (c=0.9651). Additionally, a maximum number of clusters was established by setting an inconsistency cutoff of 0.8, yielding a total of 7 clusters for system segmentation. In addition, a KMC approach was employed to establish a quantitative measure of clustering segmentation efficiency, obtaining a sillhoute average value of 0.905 for data segmentation into K=5 non-overlapping clusters. On the other hand, the NNC analysis revealed that the 15 variables could be characterized through the collective influence of 8 clusters. It was established that the formation of clusters through the combined linkage and dissimilarity algorithms of HC alongside KMC is a more dependable clustering solution than separate assessment via NNC or HC, where altering the SOM size or inconsistency cutoff can lead to completely new clustering configurations.
Robustness quantification: a new method for assessing the reliability of the predictions of a classifier
Authors: Adrián Detavernier, Jasper De Bock
Date: 2025-03-28 00:00:00
Tasks: Uncertainty Quantification

Based on existing ideas in the field of imprecise probabilities, we present a new approach for assessing the reliability of the individual predictions of a generative probabilistic classifier. We call this approach robustness quantification, compare it to uncertainty quantification, and demonstrate that it continues to work well even for classifiers that are learned from small training sets that are sampled from a shifted distribution.
Instance-Level Data-Use Auditing of Visual ML Models
Authors: Zonghao Huang, Neil Zhenqiang Gong, Michael K. Reiter
Date: 2025-03-28 00:00:00

The growing trend of legal disputes over the unauthorized use of data in machine learning (ML) systems highlights the urgent need for reliable data-use auditing mechanisms to ensure accountability and transparency in ML. In this paper, we present the first proactive instance-level data-use auditing method designed to enable data owners to audit the use of their individual data instances in ML models, providing more fine-grained auditing results. Our approach integrates any black-box membership inference technique with a sequential hypothesis test, providing a quantifiable and tunable false-detection rate. We evaluate our method on three types of visual ML models: image classifiers, visual encoders, and Contrastive Image-Language Pretraining (CLIP) models. In additional, we apply our method to evaluate the performance of two state-of-the-art approximate unlearning methods. Our findings reveal that neither method successfully removes the influence of the unlearned data instances from image classifiers and CLIP models even if sacrificing model utility by $10.33\%$.
Generative Reliability-Based Design Optimization Using In-Context Learning Capabilities of Large Language Models
Authors: Zhonglin Jiang, Qian Tang, Zequn Wang
Date: 2025-03-28 00:00:00
Tasks: In-Context Learning, Prompt Engineering

Large Language Models (LLMs) have demonstrated remarkable in-context learning capabilities, enabling flexible utilization of limited historical information to play pivotal roles in reasoning, problem-solving, and complex pattern recognition tasks. Inspired by the successful applications of LLMs in multiple domains, this paper proposes a generative design method by leveraging the in-context learning capabilities of LLMs with the iterative search mechanisms of metaheuristic algorithms for solving reliability-based design optimization problems. In detail, reliability analysis is performed by engaging the LLMs and Kriging surrogate modeling to overcome the computational burden. By dynamically providing critical information of design points to the LLMs with prompt engineering, the method enables rapid generation of high-quality design alternatives that satisfy reliability constraints while achieving performance optimization. With the Deepseek-V3 model, three case studies are used to demonstrated the performance of the proposed approach. Experimental results indicate that the proposed LLM-RBDO method successfully identifies feasible solutions that meet reliability constraints while achieving a comparable convergence rate compared to traditional genetic algorithms.
MASCOTS: Model-Agnostic Symbolic COunterfactual explanations for Time Series
Authors: Dawid Płudowski, Francesco Spinnato, Piotr Wilczyński, Krzysztof Kotowski, Evridiki Vasileia Ntagiou, Riccardo Guidotti, Przemysław Biecek
Date: 2025-03-28 00:00:00
Tasks: counterfactual, Counterfactual Reasoning, Time Series

Counterfactual explanations provide an intuitive way to understand model decisions by identifying minimal changes required to alter an outcome. However, applying counterfactual methods to time series models remains challenging due to temporal dependencies, high dimensionality, and the lack of an intuitive human-interpretable representation. We introduce MASCOTS, a method that leverages the Bag-of-Receptive-Fields representation alongside symbolic transformations inspired by Symbolic Aggregate Approximation. By operating in a symbolic feature space, it enhances interpretability while preserving fidelity to the original data and model. Unlike existing approaches that either depend on model structure or autoencoder-based sampling, MASCOTS directly generates meaningful and diverse counterfactual observations in a model-agnostic manner, operating on both univariate and multivariate data. We evaluate MASCOTS on univariate and multivariate benchmark datasets, demonstrating comparable validity, proximity, and plausibility to state-of-the-art methods, while significantly improving interpretability and sparsity. Its symbolic nature allows for explanations that can be expressed visually, in natural language, or through semantic representations, making counterfactual reasoning more accessible and actionable.
Grasping a Handful: Sequential Multi-Object Dexterous Grasp Generation
Authors: Haofei Lu, Yifei Dong, Zehang Weng, Jens Lundell, Danica Kragic
Date: 2025-03-28 00:00:00
Tasks: Grasp Generation

We introduce the sequential multi-object robotic grasp sampling algorithm SeqGrasp that can robustly synthesize stable grasps on diverse objects using the robotic hand's partial Degrees of Freedom (DoF). We use SeqGrasp to construct the large-scale Allegro Hand sequential grasping dataset SeqDataset and use it for training the diffusion-based sequential grasp generator SeqDiffuser. We experimentally evaluate SeqGrasp and SeqDiffuser against the state-of-the-art non-sequential multi-object grasp generation method MultiGrasp in simulation and on a real robot. The experimental results demonstrate that SeqGrasp and SeqDiffuser reach an 8.71%-43.33% higher grasp success rate than MultiGrasp. Furthermore, SeqDiffuser is approximately 1000 times faster at generating grasps than SeqGrasp and MultiGrasp.
Hybrid Time-Domain Behavior Model Based on Neural Differential Equations and RNNs
Authors: Zenghui Chang, Yang Zhang, Hu Tan, Hong Cai Chen
Date: 2025-03-28 00:00:00
Tasks: Computational Efficiency, Differential equation solution

Nonlinear dynamics system identification is crucial for circuit emulation. Traditional continuous-time domain modeling approaches have limitations in fitting capability and computational efficiency when used for modeling circuit IPs and device behaviors.This paper presents a novel continuous-time domain hybrid modeling paradigm. It integrates neural network differential models with recurrent neural networks (RNNs), creating NODE-RNN and NCDE-RNN models based on neural ordinary differential equations (NODE) and neural controlled differential equations (NCDE), respectively.Theoretical analysis shows that this hybrid model has mathematical advantages in event-driven dynamic mutation response and gradient propagation stability. Validation using real data from PIN diodes in high-power microwave environments shows NCDE-RNN improves fitting accuracy by 33\% over traditional NCDE, and NODE-RNN by 24\% over CTRNN, especially in capturing nonlinear memory effects.The model has been successfully deployed in Verilog-A and validated through circuit emulation, confirming its compatibility with existing platforms and practical value.This hybrid dynamics paradigm, by restructuring the neural differential equation solution path, offers new ideas for high-precision circuit time-domain modeling and is significant for complex nonlinear circuit system modeling.
DynaGraph: Interpretable Multi-Label Prediction from EHRs via Dynamic Graph Learning and Contrastive Augmentation
Authors: Munib Mesinovic, Soheila Molaei, Peter Watkinson, Tingting Zhu
Date: 2025-03-28 00:00:00
Tasks: graph construction, Graph Learning, Time Series

Learning from longitudinal electronic health records is limited if it does not capture the temporal trajectories of the patient's state in a clinical setting. Graph models allow us to capture the hidden dependencies of the multivariate time-series when the graphs are constructed in a similar dynamic manner. Previous dynamic graph models require a pre-defined and/or static graph structure, which is unknown in most cases, or they only capture the spatial relations between the features. Furthermore in healthcare, the interpretability of the model is an essential requirement to build trust with clinicians. In addition to previously proposed attention mechanisms, there has not been an interpretable dynamic graph framework for data from multivariate electronic health records (EHRs). Here, we propose DynaGraph, an end-to-end interpretable contrastive graph model that learns the dynamics of multivariate time-series EHRs as part of optimisation. We validate our model in four real-world clinical datasets, ranging from primary care to secondary care settings with broad demographics, in challenging settings where tasks are imbalanced and multi-labelled. Compared to state-of-the-art models, DynaGraph achieves significant improvements in balanced accuracy and sensitivity over the nearest complex competitors in time-series or dynamic graph modelling across three ICU and one primary care datasets. Through a pseudo-attention approach to graph construction, our model also indicates the importance of clinical covariates over time, providing means for clinical validation.
Data-driven modeling of fluid flow around rotating structures with graph neural networks
Authors: Rui Gao, Zhi Cheng, Rajeev K. Jaiman
Date: 2025-03-28 00:00:00
Tasks: Graph Neural Network

Graph neural networks, recently introduced into the field of fluid flow surrogate modeling, have been successfully applied to model the temporal evolution of various fluid flow systems. Existing applications, however, are mostly restricted to cases where the domain is time-invariant. The present work extends the application of graph neural network-based modeling to fluid flow around structures rotating with respect to a certain axis. Specifically, we propose to apply a graph neural network-based surrogate modeling for fluid flow with the mesh corotating with the structure. Unlike conventional data-driven approaches that rely on structured Cartesian meshes, our framework operates on unstructured co-rotating meshes, enforcing rotation equivariance of the learned model by leveraging co-rotating polar (2D) and cylindrical (3D) coordinate systems. To model the pressure for systems without Dirichlet pressure boundaries, we propose a novel local directed pressure difference formulation that is invariant to the reference pressure point and value. For flow systems with large mesh sizes, we introduce a scheme to train the network in single or distributed graphics processing units by accumulating the backpropagated gradients from partitions of the mesh. The effectiveness of our proposed framework is examined on two test cases: (i) fluid flow in a 2D rotating mixer, and (ii) the flow past a 3D rotating cube. Our results show that the model achieves stable and accurate rollouts for over 2000 time steps in periodic regimes while capturing accurate short-term dynamics in chaotic flow regimes. In addition, the drag and lift force predictions closely match the CFD calculations, highlighting the potential of the framework for modeling both periodic and chaotic fluid flow around rotating structures.
FLAM: Foundation Model-Based Body Stabilization for Humanoid Locomotion and Manipulation
Authors: Xianqi Zhang, Hongliang Wei, Wenrui Wang, Xingtao Wang, Xiaopeng Fan, Debin Zhao
Date: 2025-03-28 00:00:00
Tasks: Reinforcement Learning (RL)

Humanoid robots have attracted significant attention in recent years. Reinforcement Learning (RL) is one of the main ways to control the whole body of humanoid robots. RL enables agents to complete tasks by learning from environment interactions, guided by task rewards. However, existing RL methods rarely explicitly consider the impact of body stability on humanoid locomotion and manipulation. Achieving high performance in whole-body control remains a challenge for RL methods that rely solely on task rewards. In this paper, we propose a Foundation model-based method for humanoid Locomotion And Manipulation (FLAM for short). FLAM integrates a stabilizing reward function with a basic policy. The stabilizing reward function is designed to encourage the robot to learn stable postures, thereby accelerating the learning process and facilitating task completion. Specifically, the robot pose is first mapped to the 3D virtual human model. Then, the human pose is stabilized and reconstructed through a human motion reconstruction model. Finally, the pose before and after reconstruction is used to compute the stabilizing reward. By combining this stabilizing reward with the task reward, FLAM effectively guides policy learning. Experimental results on a humanoid robot benchmark demonstrate that FLAM outperforms state-of-the-art RL methods, highlighting its effectiveness in improving stability and overall performance.
Analysis of On-policy Policy Gradient Methods under the Distribution Mismatch
Authors: Weizhen Wang, Jianping He, Xiaoming Duan
Date: 2025-03-28 00:00:00
Tasks: Policy Gradient Methods

Policy gradient methods are one of the most successful methods for solving challenging reinforcement learning problems. However, despite their empirical successes, many SOTA policy gradient algorithms for discounted problems deviate from the theoretical policy gradient theorem due to the existence of a distribution mismatch. In this work, we analyze the impact of this mismatch on the policy gradient methods. Specifically, we first show that in the case of tabular parameterizations, the methods under the mismatch remain globally optimal. Then, we extend this analysis to more general parameterizations by leveraging the theory of biased stochastic gradient descent. Our findings offer new insights into the robustness of policy gradient methods as well as the gap between theoretical foundations and practical implementations.
Exploring Data Scaling Trends and Effects in Reinforcement Learning from Human Feedback
Authors: Wei Shen, Guanlin Liu, Zheng Wu, Ruofei Zhu, Qingping Yang, Chao Xin, Yu Yue, Lin Yan
Date: 2025-03-28 00:00:00
Tasks: Diversity

Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning large language models with human preferences. While recent research has focused on algorithmic improvements, the importance of prompt-data construction has been overlooked. This paper addresses this gap by exploring data-driven bottlenecks in RLHF performance scaling, particularly reward hacking and decreasing response diversity. We introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM) to mitigate reward hacking. We also propose a novel prompt-selection method, Pre-PPO, to maintain response diversity and enhance learning effectiveness. Additionally, we find that prioritizing mathematical and coding tasks early in RLHF training significantly improves performance. Experiments across two model sizes validate our methods' effectiveness and scalability. Results show that RTV is most resistant to reward hacking, followed by GenRM with ground truth, and then GenRM with SFT Best-of-N responses. Our strategies enable rapid capture of subtle task-specific distinctions, leading to substantial improvements in overall RLHF performance. This work highlights the importance of careful data construction and provides practical methods to overcome performance barriers in RLHF.
DREMnet: An Interpretable Denoising Framework for Semi-Airborne Transient Electromagnetic Signal
Authors: Shuang Wang, Ming Guo, Xuben Wang, Fei Deng, Lifeng Mao, Bin Wang, Wenlong Gao
Date: 2025-03-28 00:00:00
Tasks: Denoising, Representation Learning

The semi-airborne transient electromagnetic method (SATEM) is capable of conducting rapid surveys over large-scale and hard-to-reach areas. However, the acquired signals are often contaminated by complex noise, which can compromise the accuracy of subsequent inversion interpretations. Traditional denoising techniques primarily rely on parameter selection strategies, which are insufficient for processing field data in noisy environments. With the advent of deep learning, various neural networks have been employed for SATEM signal denoising. However, existing deep learning methods typically use single-mapping learning approaches that struggle to effectively separate signal from noise. These methods capture only partial information and lack interpretability. To overcome these limitations, we propose an interpretable decoupled representation learning framework, termed DREMnet, that disentangles data into content and context factors, enabling robust and interpretable denoising in complex conditions. To address the limitations of CNN and Transformer architectures, we utilize the RWKV architecture for data processing and introduce the Contextual-WKV mechanism, which allows unidirectional WKV to perform bidirectional signal modeling. Our proposed Covering Embedding technique retains the strong local perception of convolutional networks through stacked embedding. Experimental results on test datasets demonstrate that the DREMnet method outperforms existing techniques, with processed field data that more accurately reflects the theoretical signal, offering improved identification of subsurface electrical structures.