pwc-archive/papers-with-abstracts huggingface dataset:
FRET: Feature Redundancy Elimination for Test Time Adaptation
Authors: Linjing You, Jiabao Lu, Xiayuan Huang, Xiangli Nie
Date: 2025-05-15 00:00:00
Tasks: Contrastive Learning, Test-time Adaptation

Test-Time Adaptation (TTA) aims to enhance the generalization of deep learning models when faced with test data that exhibits distribution shifts from the training data. In this context, only a pre-trained model and unlabeled test data are available, making it particularly relevant for privacy-sensitive applications. In practice, we observe that feature redundancy in embeddings tends to increase as domain shifts intensify in TTA. However, existing TTA methods often overlook this redundancy, which can hinder the model's adaptability to new data. To address this issue, we introduce Feature Redundancy Elimination for Test-time Adaptation (FRET), a novel perspective for TTA. A straightforward approach (S-FRET) is to directly minimize the feature redundancy score as an optimization objective to improve adaptation. Despite its simplicity and effectiveness, S-FRET struggles with label shifts, limiting its robustness in real-world scenarios. To mitigate this limitation, we further propose Graph-based FRET (G-FRET), which integrates a Graph Convolutional Network (GCN) with contrastive learning. This design not only reduces feature redundancy but also enhances feature discriminability in both the representation and prediction layers. Extensive experiments across multiple model architectures, tasks, and datasets demonstrate the effectiveness of S-FRET and show that G-FRET achieves state-of-the-art performance. Further analysis reveals that G-FRET enables the model to extract non-redundant and highly discriminative features during inference, thereby facilitating more robust test-time adaptation.
Accelerating Visual-Policy Learning through Parallel Differentiable Simulation
Authors: Haoxiang You, Yilang Liu, Ian Abraham
Date: 2025-05-15 00:00:00
Tasks: GPU

In this work, we propose a computationally efficient algorithm for visual policy learning that leverages differentiable simulation and first-order analytical policy gradients. Our approach decouple the rendering process from the computation graph, enabling seamless integration with existing differentiable simulation ecosystems without the need for specialized differentiable rendering software. This decoupling not only reduces computational and memory overhead but also effectively attenuates the policy gradient norm, leading to more stable and smoother optimization. We evaluate our method on standard visual control benchmarks using modern GPU-accelerated simulation. Experiments show that our approach significantly reduces wall-clock training time and consistently outperforms all baseline methods in terms of final returns. Notably, on complex tasks such as humanoid locomotion, our method achieves a $4\times$ improvement in final return, and successfully learns a humanoid running policy within 4 hours on a single GPU.
Seasonal Forecasting of Pan-Arctic Sea Ice with State Space Model
Authors: Wei Wang, Weidong Yang, Lei Wang, Guihua Wang, Ruibo Lei
Date: 2025-05-15 00:00:00
Tasks: Deep Learning

The rapid decline of Arctic sea ice resulting from anthropogenic climate change poses significant risks to indigenous communities, ecosystems, and the global climate system. This situation emphasizes the immediate necessity for precise seasonal sea ice forecasts. While dynamical models perform well for short-term forecasts, they encounter limitations in long-term forecasts and are computationally intensive. Deep learning models, while more computationally efficient, often have difficulty managing seasonal variations and uncertainties when dealing with complex sea ice dynamics. In this research, we introduce IceMamba, a deep learning architecture that integrates sophisticated attention mechanisms within the state space model. Through comparative analysis of 25 renowned forecast models, including dynamical, statistical, and deep learning approaches, our experimental results indicate that IceMamba delivers excellent seasonal forecasting capabilities for Pan-Arctic sea ice concentration. Specifically, IceMamba outperforms all tested models regarding average RMSE and anomaly correlation coefficient (ACC) and ranks second in Integrated Ice Edge Error (IIEE). This innovative approach enhances our ability to foresee and alleviate the effects of sea ice variability, offering essential insights for strategies aimed at climate adaptation.
A Conformal Predictive Measure for Assessing Catastrophic Forgetting
Authors: Ioannis Pitsiorlas, Nour Jamoussi, Marios Kountouris
Date: 2025-05-15 00:00:00
Tasks: Conformal Prediction, Continual Learning

This work introduces a novel methodology for assessing catastrophic forgetting (CF) in continual learning. We propose a new conformal prediction (CP)-based metric, termed the Conformal Prediction Confidence Factor (CPCF), to quantify and evaluate CF effectively. Our framework leverages adaptive CP to estimate forgetting by monitoring the model's confidence on previously learned tasks. This approach provides a dynamic and practical solution for monitoring and measuring CF of previous tasks as new ones are introduced, offering greater suitability for real-world applications. Experimental results on four benchmark datasets demonstrate a strong correlation between CPCF and the accuracy of previous tasks, validating the reliability and interpretability of the proposed metric. Our results highlight the potential of CPCF as a robust and effective tool for assessing and understanding CF in dynamic learning environments.
Clustering Rooftop PV Systems via Probabilistic Embeddings
Authors: Kutay Bölat, Tarek Alskaif, Peter Palensky, Simon Tindemans
Date: 2025-05-15 00:00:00
Tasks: Clustering, Imputation, Management, Missing Values

As the number of rooftop photovoltaic (PV) installations increases, aggregators and system operators are required to monitor and analyze these systems, raising the challenge of integration and management of large, spatially distributed time-series data that are both high-dimensional and affected by missing values. In this work, a probabilistic entity embedding-based clustering framework is proposed to address these problems. This method encodes each PV system's characteristic power generation patterns and uncertainty as a probability distribution, then groups systems by their statistical distances and agglomerative clustering. Applied to a multi-year residential PV dataset, it produces concise, uncertainty-aware cluster profiles that outperform a physics-based baseline in representativeness and robustness, and support reliable missing-value imputation. A systematic hyperparameter study further offers practical guidance for balancing model performance and robustness.
ZEUS: Zero-shot Embeddings for Unsupervised Separation of Tabular Data
Authors: Patryk Marszałek, Tomasz Kuśmierczyk, Witold Wydmański, Jacek Tabor, Marek Śmieja
Date: 2025-05-15 00:00:00
Tasks: Clustering, Deep Learning, Zero-Shot Learning

Clustering tabular data remains a significant open challenge in data analysis and machine learning. Unlike for image data, similarity between tabular records often varies across datasets, making the definition of clusters highly dataset-dependent. Furthermore, the absence of supervised signals complicates hyperparameter tuning in deep learning clustering methods, frequently resulting in unstable performance. To address these issues and reduce the need for per-dataset tuning, we adopt an emerging approach in deep learning: zero-shot learning. We propose ZEUS, a self-contained model capable of clustering new datasets without any additional training or fine-tuning. It operates by decomposing complex datasets into meaningful components that can then be clustered effectively. Thanks to pre-training on synthetic datasets generated from a latent-variable prior, it generalizes across various datasets without requiring user intervention. To the best of our knowledge, ZEUS is the first zero-shot method capable of generating embeddings for tabular data in a fully unsupervised manner. Experimental results demonstrate that it performs on par with or better than traditional clustering algorithms and recent deep learning-based methods, while being significantly faster and more user-friendly.
GNN-Suite: a Graph Neural Network Benchmarking Framework for Biomedical Informatics
Authors: Sebestyén Kamp, Giovanni Stracquadanio, T. Ian Simpson
Date: 2025-05-15 00:00:00
Tasks: Benchmarking, Graph Neural Network

We present GNN-Suite, a robust modular framework for constructing and benchmarking Graph Neural Network (GNN) architectures in computational biology. GNN-Suite standardises experimentation and reproducibility using the Nextflow workflow to evaluate GNN performance. We demonstrate its utility in identifying cancer-driver genes by constructing molecular networks from protein-protein interaction (PPI) data from STRING and BioGRID and annotating nodes with features from the PCAWG, PID, and COSMIC-CGC repositories. Our design enables fair comparisons among diverse GNN architectures including GAT, GAT3H, GCN, GCN2, GIN, GTN, HGCN, PHGCN, and GraphSAGE and a baseline Logistic Regression (LR) model. All GNNs were configured as standardised two-layer models and trained with uniform hyperparameters (dropout = 0.2; Adam optimiser with learning rate = 0.01; and an adjusted binary cross-entropy loss to address class imbalance) over an 80/20 train-test split for 300 epochs. Each model was evaluated over 10 independent runs with different random seeds to yield statistically robust performance metrics, with balanced accuracy (BACC) as the primary measure. Notably, GCN2 achieved the highest BACC (0.807 +/- 0.035) on a STRING-based network, although all GNN types outperformed the LR baseline, highlighting the advantage of network-based learning over feature-only approaches. Our results show that a common framework for implementing and evaluating GNN architectures aids in identifying not only the best model but also the most effective means of incorporating complementary data. By making GNN-Suite publicly available, we aim to foster reproducible research and promote improved benchmarking standards in computational biology. Future work will explore additional omics datasets and further refine network architectures to enhance predictive accuracy and interpretability in biomedical applications.
Learning Repetition-Invariant Representations for Polymer Informatics
Authors: Yihan Zhu, Gang Liu, Eric Inae, Tengfei Luo, Meng Jiang
Date: 2025-05-15 00:00:00
Tasks: Graph Neural Network, Representation Learning

Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods, though effective for small molecules, only model the single unit of polymers and fail to produce consistent vector representations for the true polymer structure with varying numbers of units. To address this challenge, we introduce Graph Repetition Invariance (GRIN), a novel method to learn polymer representations that are invariant to the number of repeating units in their graph representations. GRIN integrates a graph-based maximum spanning tree alignment with repeat-unit augmentation to ensure structural consistency. We provide theoretical guarantees for repetition-invariance from both model and data perspectives, demonstrating that three repeating units are the minimal augmentation required for optimal invariant representation learning. GRIN outperforms state-of-the-art baselines on both homopolymer and copolymer benchmarks, learning stable, repetition-invariant representations that generalize effectively to polymer chains of unseen sizes.
Random Client Selection on Contrastive Federated Learning for Tabular Data
Authors: Achmad Ginanjar, Xue Li, Priyanka Singh, Wen Hua
Date: 2025-05-16 00:00:00
Tasks: Federated Learning, Privacy Preserving, Representation Learning, Vertical Federated Learning

Vertical Federated Learning (VFL) has revolutionised collaborative machine learning by enabling privacy-preserving model training across multiple parties. However, it remains vulnerable to information leakage during intermediate computation sharing. While Contrastive Federated Learning (CFL) was introduced to mitigate these privacy concerns through representation learning, it still faces challenges from gradient-based attacks. This paper presents a comprehensive experimental analysis of gradient-based attacks in CFL environments and evaluates random client selection as a defensive strategy. Through extensive experimentation, we demonstrate that random client selection proves particularly effective in defending against gradient attacks in the CFL network. Our findings provide valuable insights for implementing robust security measures in contrastive federated learning systems, contributing to the development of more secure collaborative learning frameworks
Context-Aware Probabilistic Modeling with LLM for Multimodal Time Series Forecasting
Authors: Yueyang Yao, Jiajun Li, Xingyuan Dai, Mengmeng Zhang, Xiaoyan Gong, Fei-Yue Wang, Yisheng Lv
Date: 2025-05-16 00:00:00
Tasks: Time Series, Time Series Forecasting

Time series forecasting is important for applications spanning energy markets, climate analysis, and traffic management. However, existing methods struggle to effectively integrate exogenous texts and align them with the probabilistic nature of large language models (LLMs). Current approaches either employ shallow text-time series fusion via basic prompts or rely on deterministic numerical decoding that conflict with LLMs' token-generation paradigm, which limits contextual awareness and distribution modeling. To address these limitations, we propose CAPTime, a context-aware probabilistic multimodal time series forecasting method that leverages text-informed abstraction and autoregressive LLM decoding. Our method first encodes temporal patterns using a pretrained time series encoder, then aligns them with textual contexts via learnable interactions to produce joint multimodal representations. By combining a mixture of distribution experts with frozen LLMs, we enable context-aware probabilistic forecasting while preserving LLMs' inherent distribution modeling capabilities. Experiments on diverse time series forecasting tasks demonstrate the superior accuracy and generalization of CAPTime, particularly in multimodal scenarios. Additional analysis highlights its robustness in data-scarce scenarios through hybrid probabilistic decoding.
Cell Library Characterization for Composite Current Source Models Based on Gaussian Process Regression and Active Learning
Authors: Tao Bai, Junzhuo Zhou, Zeyuan Deng, Ting-Jung Lin, Wei Xing, Peng Cao, Lei He
Date: 2025-05-16 00:00:00
Tasks: Active Learning, GPR

The composite current source (CCS) model has been adopted as an advanced timing model that represents the current behavior of cells for improved accuracy and better capability than traditional non-linear delay models (NLDM) to model complex dynamic effects and interactions under advanced process nodes. However, the high accuracy requirement, large amount of data and extensive simulation cost pose severe challenges to CCS characterization. To address these challenges, we introduce a novel Gaussian Process Regression(GPR) model with active learning(AL) to establish the characterization framework efficiently and accurately. Our approach significantly outperforms conventional commercial tools as well as learning based approaches by achieving an average absolute error of 2.05 ps and a relative error of 2.27% for current waveform of 57 cells under 9 process, voltage, temperature (PVT) corners with TSMC 22nm process. Additionally, our model drastically reduces the runtime to 27% and the storage by up to 19.5x compared with that required by commercial tools.
Attention-Based Reward Shaping for Sparse and Delayed Rewards
Authors: Ian Holmes, Min Chi
Date: 2025-05-16 00:00:00
Tasks: Reinforcement Learning (RL)

Sparse and delayed reward functions pose a significant obstacle for real-world Reinforcement Learning (RL) applications. In this work, we propose Attention-based REward Shaping (ARES), a general and robust algorithm which uses a transformer's attention mechanism to generate shaped rewards and create a dense reward function for any environment. ARES requires a set of episodes and their final returns as input. It can be trained entirely offline and is able to generate meaningful shaped rewards even when using small datasets or episodes produced by agents taking random actions. ARES is compatible with any RL algorithm and can handle any level of reward sparsity. In our experiments, we focus on the most challenging case where rewards are fully delayed until the end of each episode. We evaluate ARES across a diverse range of environments, widely used RL algorithms, and baseline methods to assess the effectiveness of the shaped rewards it produces. Our results show that ARES can significantly improve learning in delayed reward settings, enabling RL agents to train in scenarios that would otherwise require impractical amounts of data or even be unlearnable. To our knowledge, ARES is the first approach that works fully offline, remains robust to extreme reward delays and low-quality data, and is not limited to goal-based tasks.
Distilled Circuits: A Mechanistic Study of Internal Restructuring in Knowledge Distillation
Authors: Reilly Haskins, Benjamin Adams
Date: 2025-05-16 00:00:00
Tasks: Knowledge Distillation

Knowledge distillation compresses a larger neural model (teacher) into smaller, faster student models by training them to match teacher outputs. However, the internal computational transformations that occur during this process remain poorly understood. We apply techniques from mechanistic interpretability to analyze how internal circuits, representations, and activation patterns differ between teacher and student. Focusing on GPT2-small and its distilled counterpart DistilGPT2, we find that student models reorganize, compress, and discard teacher components, often resulting in stronger reliance on fewer individual components. To quantify functional alignment beyond output similarity, we introduce an alignment metric based on influence-weighted component similarity, validated across multiple tasks. Our findings reveal that while knowledge distillation preserves broad functional behaviors, it also causes significant shifts in internal computation, with important implications for the robustness and generalization capacity of distilled models.
MergeBench: A Benchmark for Merging Domain-Specialized LLMs
Authors: Yifei He, Siqi Zeng, Yuzheng Hu, Rui Yang, Tong Zhang, Han Zhao
Date: 2025-05-16 00:00:00
Tasks: Instruction Following

Model merging provides a scalable alternative to multi-task training by combining specialized finetuned models through parameter arithmetic, enabling efficient deployment without the need for joint training or access to all task data. While recent methods have shown promise, existing evaluations are limited in both model scale and task diversity, leaving open questions about their applicability to large, domain-specialized LLMs. To tackle the challenges, we introduce MergeBench, a comprehensive evaluation suite designed to assess model merging at scale. MergeBench builds on state-of-the-art open-source language models, including Llama and Gemma families at 2B to 9B scales, and covers five key domains: instruction following, mathematics, multilingual understanding, coding and safety. We standardize finetuning and evaluation protocols, and assess eight representative merging methods across multi-task performance, forgetting and runtime efficiency. Based on extensive experiments, we provide practical guidelines for algorithm selection and share insights showing that model merging tends to perform better on stronger base models, with techniques such as merging coefficient tuning and sparsification improving knowledge retention. However, several challenges remain, including the computational cost on large models, the gap for in-domain performance compared to multi-task models, and the underexplored role of model merging in standard LLM training pipelines. We hope MergeBench provides a foundation for future research to advance the understanding and practical application of model merging. We open source our code at \href{https://github.com/uiuctml/MergeBench}{https://github.com/uiuctml/MergeBench}.
LARGO: Latent Adversarial Reflection through Gradient Optimization for Jailbreaking LLMs
Authors: Ran Li, Hao Wang, Chengzhi Mao
Date: 2025-05-16 00:00:00
Tasks: Red Teaming

Efficient red-teaming method to uncover vulnerabilities in Large Language Models (LLMs) is crucial. While recent attacks often use LLMs as optimizers, the discrete language space make gradient-based methods struggle. We introduce LARGO (Latent Adversarial Reflection through Gradient Optimization), a novel latent self-reflection attack that reasserts the power of gradient-based optimization for generating fluent jailbreaking prompts. By operating within the LLM's continuous latent space, LARGO first optimizes an adversarial latent vector and then recursively call the same LLM to decode the latent into natural language. This methodology yields a fast, effective, and transferable attack that produces fluent and stealthy prompts. On standard benchmarks like AdvBench and JailbreakBench, LARGO surpasses leading jailbreaking techniques, including AutoDAN, by 44 points in attack success rate. Our findings demonstrate a potent alternative to agentic LLM prompting, highlighting the efficacy of interpreting and attacking LLM internals through gradient optimization.
Ready2Unlearn: A Learning-Time Approach for Preparing Models with Future Unlearning Readiness
Authors: Hanyu Duan, Yi Yang, Ahmed Abbasi, Kar Yan Tam
Date: 2025-05-16 00:00:00
Tasks: Machine Unlearning, Meta-Learning

This paper introduces Ready2Unlearn, a learning-time optimization approach designed to facilitate future unlearning processes. Unlike the majority of existing unlearning efforts that focus on designing unlearning algorithms, which are typically implemented reactively when an unlearning request is made during the model deployment phase, Ready2Unlearn shifts the focus to the training phase, adopting a "forward-looking" perspective. Building upon well-established meta-learning principles, Ready2Unlearn proactively trains machine learning models with unlearning readiness, such that they are well prepared and can handle future unlearning requests in a more efficient and principled manner. Ready2Unlearn is model-agnostic and compatible with any gradient ascent-based machine unlearning algorithms. We evaluate the method on both vision and language tasks under various unlearning settings, including class-wise unlearning and random data unlearning. Experimental results show that by incorporating such preparedness at training time, Ready2Unlearn produces an unlearning-ready model state, which offers several key advantages when future unlearning is required, including reduced unlearning time, improved retention of overall model capability, and enhanced resistance to the inadvertent recovery of forgotten data. We hope this work could inspire future efforts to explore more proactive strategies for equipping machine learning models with built-in readiness towards more reliable and principled machine unlearning.