pwc-archive/papers-with-abstracts huggingface dataset:
Relational Graph Transformer
Authors: Vijay Prakash Dwivedi, Sri Jaladi, Yangyi Shen, Federico López, Charilaos I. Kanatsoulis, Rishi Puri, Matthias Fey, Jure Leskovec
Date: 2025-05-16 00:00:00
Tasks: Graph Neural Network

Relational Deep Learning (RDL) is a promising approach for building state-of-the-art predictive models on multi-table relational data by representing it as a heterogeneous temporal graph. However, commonly used Graph Neural Network models suffer from fundamental limitations in capturing complex structural patterns and long-range dependencies that are inherent in relational data. While Graph Transformers have emerged as powerful alternatives to GNNs on general graphs, applying them to relational entity graphs presents unique challenges: (i) Traditional positional encodings fail to generalize to massive, heterogeneous graphs; (ii) existing architectures cannot model the temporal dynamics and schema constraints of relational data; (iii) existing tokenization schemes lose critical structural information. Here we introduce the Relational Graph Transformer (RelGT), the first graph transformer architecture designed specifically for relational tables. RelGT employs a novel multi-element tokenization strategy that decomposes each node into five components (features, type, hop distance, time, and local structure), enabling efficient encoding of heterogeneity, temporality, and topology without expensive precomputation. Our architecture combines local attention over sampled subgraphs with global attention to learnable centroids, incorporating both local and database-wide representations. Across 21 tasks from the RelBench benchmark, RelGT consistently matches or outperforms GNN baselines by up to 18%, establishing Graph Transformers as a powerful architecture for Relational Deep Learning.
Group-in-Group Policy Optimization for LLM Agent Training
Authors: Lang Feng, Zhenghai Xue, Tingcong Liu, Bo An
Date: 2025-05-16 00:00:00
Tasks: GPU, Mathematical Reasoning, Reinforcement Learning (RL)

Recent advances in group-based reinforcement learning (RL) have driven frontier large language models (LLMs) in single-turn tasks like mathematical reasoning. However, their scalability to long-horizon LLM agent training remains limited. Unlike static tasks, agent-environment interactions unfold over many steps and often yield sparse or delayed rewards, making credit assignment across individual steps significantly more challenging. In this work, we propose Group-in-Group Policy Optimization (GiGPO), a novel RL algorithm that achieves fine-grained credit assignment for LLM agents while preserving the appealing properties of group-based RL: critic-free, low memory, and stable convergence. GiGPO introduces a two-level structure for estimating relative advantage: (i) At the episode-level, GiGPO computes macro relative advantages based on groups of complete trajectories; (ii) At the step-level, GiGPO introduces an anchor state grouping mechanism that retroactively constructs step-level groups by identifying repeated environment states across trajectories. Actions stemming from the same state are grouped together, enabling micro relative advantage estimation. This hierarchical structure effectively captures both global trajectory quality and local step effectiveness without relying on auxiliary models or additional rollouts. We evaluate GiGPO on two challenging agent benchmarks, ALFWorld and WebShop, using Qwen2.5-1.5B-Instruct and Qwen2.5-7B-Instruct. Crucially, GiGPO delivers fine-grained per-step credit signals and achieves performance gains of > 12\% on ALFWorld and > 9\% on WebShop over the GRPO baseline: all while maintaining the same GPU memory overhead, identical LLM rollout, and incurring little to no additional time cost.
GenoArmory: A Unified Evaluation Framework for Adversarial Attacks on Genomic Foundation Models
Authors: Haozheng Luo, Chenghao Qiu, Yimin Wang, Shang Wu, Jiahao Yu, Han Liu, Binghui Wang, Yan Chen
Date: 2025-05-16 00:00:00
Tasks: Adversarial Attack, Adversarial Defense, Adversarial Robustness, Genome Understanding, Quantization

We propose the first unified adversarial attack benchmark for Genomic Foundation Models (GFMs), named GenoArmory. Unlike existing GFM benchmarks, GenoArmory offers the first comprehensive evaluation framework to systematically assess the vulnerability of GFMs to adversarial attacks. Methodologically, we evaluate the adversarial robustness of five state-of-the-art GFMs using four widely adopted attack algorithms and three defense strategies. Importantly, our benchmark provides an accessible and comprehensive framework to analyze GFM vulnerabilities with respect to model architecture, quantization schemes, and training datasets. Additionally, we introduce GenoAdv, a new adversarial sample dataset designed to improve GFM safety. Empirically, classification models exhibit greater robustness to adversarial perturbations compared to generative models, highlighting the impact of task type on model vulnerability. Moreover, adversarial attacks frequently target biologically significant genomic regions, suggesting that these models effectively capture meaningful sequence features.
ReaCritic: Large Reasoning Transformer-based DRL Critic-model Scaling For Heterogeneous Networks
Authors: Feiran You, Hongyang Du
Date: 2025-05-16 00:00:00
Tasks: Deep Reinforcement Learning, OpenAI Gym

Heterogeneous Networks (HetNets) pose critical challenges for intelligent management due to the diverse user requirements and time-varying wireless conditions. These factors introduce significant decision complexity, which limits the adaptability of existing Deep Reinforcement Learning (DRL) methods. In many DRL algorithms, especially those involving value-based or actor-critic structures, the critic component plays a key role in guiding policy learning by estimating value functions. However, conventional critic models often use shallow architectures that map observations directly to scalar estimates, limiting their ability to handle multi-task complexity. In contrast, recent progress in inference-time scaling of Large Language Models (LLMs) has shown that generating intermediate reasoning steps can significantly improve decision quality. Motivated by this, we propose ReaCritic, a large reasoning transformer-based criticmodel scaling scheme that brings reasoning ability into DRL. ReaCritic performs horizontal reasoning over parallel state-action inputs and vertical reasoning through deep transformer stacks. It is compatible with a broad range of value-based and actor-critic DRL algorithms and enhances generalization in dynamic wireless environments. Extensive experiments demonstrate that ReaCritic improves convergence speed and final performance across various HetNet settings and standard OpenAI Gym control tasks.
Logo-LLM: Local and Global Modeling with Large Language Models for Time Series Forecasting
Authors: Wenjie Ou, Zhishuo Zhao, Dongyue Guo, Yi Lin
Date: 2025-05-16 00:00:00
Tasks: Time Series, Time Series Forecasting

Time series forecasting is critical across multiple domains, where time series data exhibits both local patterns and global dependencies. While Transformer-based methods effectively capture global dependencies, they often overlook short-term local variations in time series. Recent methods that adapt large language models (LLMs) into time series forecasting inherit this limitation by treating LLMs as black-box encoders, relying solely on the final-layer output and underutilizing hierarchical representations. To address this limitation, we propose Logo-LLM, a novel LLM-based framework that explicitly extracts and models multi-scale temporal features from different layers of a pre-trained LLM. Through empirical analysis, we show that shallow layers of LLMs capture local dynamics in time series, while deeper layers encode global trends. Moreover, Logo-LLM introduces lightweight Local-Mixer and Global-Mixer modules to align and integrate features with the temporal input across layers. Extensive experiments demonstrate that Logo-LLM achieves superior performance across diverse benchmarks, with strong generalization in few-shot and zero-shot settings while maintaining low computational overhead.
Informed, but Not Always Improved: Challenging the Benefit of Background Knowledge in GNNs
Authors: Kutalmış Coşkun, Ivo Kavisanczki, Amin Mirzaei, Tom Siegl, Bjarne C. Hiller, Stefan Lüdtke, Martin Becker
Date: 2025-05-16 00:00:00

In complex and low-data domains such as biomedical research, incorporating background knowledge (BK) graphs, such as protein-protein interaction (PPI) networks, into graph-based machine learning pipelines is a promising research direction. However, while BK is often assumed to improve model performance, its actual contribution and the impact of imperfect knowledge remain poorly understood. In this work, we investigate the role of BK in an important real-world task: cancer subtype classification. Surprisingly, we find that (i) state-of-the-art GNNs using BK perform no better than uninformed models like linear regression, and (ii) their performance remains largely unchanged even when the BK graph is heavily perturbed. To understand these unexpected results, we introduce an evaluation framework, which employs (i) a synthetic setting where the BK is clearly informative and (ii) a set of perturbations that simulate various imperfections in BK graphs. With this, we test the robustness of BK-aware models in both synthetic and real-world biomedical settings. Our findings reveal that careful alignment of GNN architectures and BK characteristics is necessary but holds the potential for significant performance improvements.
Leveraging Real-Time Data Analysis and Multiple Kernel Learning for Manufacturing of Innovative Steels
Authors: Wolfgang Rannetbauer, Simon Hubmer, Carina Hambrock, Ronny Ramlau
Date: 2025-05-16 00:00:00

The implementation of thermally sprayed components in steel manufacturing presents challenges for production and plant maintenance. While enhancing performance through specialized surface properties, these components may encounter difficulties in meeting modified requirements due to standardization in the refurbishment process. This article proposes updating the established coating process for thermally spray coated components for steel manufacturing (TCCSM) by integrating real-time data analytics and predictive quality management. Two essential components--the data aggregator and the quality predictor--are designed through continuous process monitoring and the application of data-driven methodologies to meet the dynamic demands of the evolving steel landscape. The quality predictor is powered by the simple and effective multiple kernel learning strategy with the goal of realizing predictive quality. The data aggregator, designed with sensors, flow meters, and intelligent data processing for the thermal spray coating process, is proposed to facilitate real-time analytics. The performance of this combination was verified using small-scale tests that enabled not only the accurate prediction of coating quality based on the collected data but also proactive notification to the operator as soon as significant deviations are identified.
Exploiting the Asymmetric Uncertainty Structure of Pre-trained VLMs on the Unit Hypersphere
Authors: Li Ju, Max Andersson, Stina Fredriksson, Edward Glöckner, Andreas Hellander, Ekta Vats, Prashant Singh
Date: 2025-05-16 00:00:00
Tasks: Uncertainty Quantification

Vision-language models (VLMs) as foundation models have significantly enhanced performance across a wide range of visual and textual tasks, without requiring large-scale training from scratch for downstream tasks. However, these deterministic VLMs fail to capture the inherent ambiguity and uncertainty in natural language and visual data. Recent probabilistic post-hoc adaptation methods address this by mapping deterministic embeddings onto probability distributions; however, existing approaches do not account for the asymmetric uncertainty structure of the modalities, and the constraint that meaningful deterministic embeddings reside on a unit hypersphere, potentially leading to suboptimal performance. In this paper, we address the asymmetric uncertainty structure inherent in textual and visual data, and propose AsymVLM to build probabilistic embeddings from pre-trained VLMs on the unit hypersphere, enabling uncertainty quantification. We validate the effectiveness of the probabilistic embeddings on established benchmarks, and present comprehensive ablation studies demonstrating the inherent nature of asymmetry in the uncertainty structure of textual and visual data.
Deep Latent Variable Model based Vertical Federated Learning with Flexible Alignment and Labeling Scenarios
Authors: Kihun Hong, Sejun Park, Ganguk Hwang
Date: 2025-05-16 00:00:00
Tasks: Federated Learning, Vertical Federated Learning

Federated learning (FL) has attracted significant attention for enabling collaborative learning without exposing private data. Among the primary variants of FL, vertical federated learning (VFL) addresses feature-partitioned data held by multiple institutions, each holding complementary information for the same set of users. However, existing VFL methods often impose restrictive assumptions such as a small number of participating parties, fully aligned data, or only using labeled data. In this work, we reinterpret alignment gaps in VFL as missing data problems and propose a unified framework that accommodates both training and inference under arbitrary alignment and labeling scenarios, while supporting diverse missingness mechanisms. In the experiments on 168 configurations spanning four benchmark datasets, six training-time missingness patterns, and seven testing-time missingness patterns, our method outperforms all baselines in 160 cases with an average gap of 9.6 percentage points over the next-best competitors. To the best of our knowledge, this is the first VFL framework to jointly handle arbitrary data alignment, unlabeled data, and multi-party collaboration all at once.
Efficient Attention via Pre-Scoring: Prioritizing Informative Keys in Transformers
Authors: Zhexiang Li, Haoyu Wang, Yutong Bao, David Woodruff
Date: 2025-05-16 00:00:00
Tasks: Clustering, Language Modeling, Language Modelling

Recent advances in transformer architectures deeply enhance long-context language modeling. Among them, HyperAttention achieves competitive efficiency by combining a single-level LSH-based clustering with uniform residual sampling. However,such a sampling limits crucial keys' capturing, which in turn raises the overall perplexity. In this paper, we propose a pre-scoring mechanism to assist HyperAttention to prioritize significant keys. Specifically, we introduce three scoring methods: K-means clustering, K-median clustering, and leverage score-based ranking (inspired by LevAttention) to filter keys effectively. We further replace HyperAttention's original uniform residual sampling entirely, relying exclusively on our pre-scoring mechanism. Experiments on ChatGLM2 (131k token context) reduce perplexity from 12 to 8.3, which outperforms standard HyperAttention. Moreover, when running on the Vision-Transformer (ViT), our method shows that it can guarantee similar accuracy compared with LevAttention, and will surpass LevAttention given specific parameters. Although this method introduces computational overhead, its combination with HyperAttention remains 20 times faster than FlashAttention, providing a balanced trade-off between speed and modeling accuracy. Our results highlight the effectiveness of integrating pre-scoring into hierarchical attention mechanisms, significantly improving Transformer's efficiency.
Exploration by Random Distribution Distillation
Authors: Zhirui Fang, Kai Yang, Jian Tao, Jiafei Lyu, Lusong Li, Li Shen, Xiu Li
Date: 2025-05-16 00:00:00
Tasks: Prediction

Exploration remains a critical challenge in online reinforcement learning, as an agent must effectively explore unknown environments to achieve high returns. Currently, the main exploration algorithms are primarily count-based methods and curiosity-based methods, with prediction-error methods being a prominent example. In this paper, we propose a novel method called \textbf{R}andom \textbf{D}istribution \textbf{D}istillation (RDD), which samples the output of a target network from a normal distribution. RDD facilitates a more extensive exploration by explicitly treating the difference between the prediction network and the target network as an intrinsic reward. Furthermore, by introducing randomness into the output of the target network for a given state and modeling it as a sample from a normal distribution, intrinsic rewards are bounded by two key components: a pseudo-count term ensuring proper exploration decay and a discrepancy term accounting for predictor convergence. We demonstrate that RDD effectively unifies both count-based and prediction-error approaches. It retains the advantages of prediction-error methods in high-dimensional spaces, while also implementing an intrinsic reward decay mode akin to the pseudo-count method. In the experimental section, RDD is compared with more advanced methods in a series of environments. Both theoretical analysis and experimental results confirm the effectiveness of our approach in improving online exploration for reinforcement learning tasks.
Halting Recurrent GNNs and the Graded $μ$-Calculus
Authors: Jeroen Bollen, Jan Van den Bussche, Stijn Vansummeren, Jonni Virtema
Date: 2025-05-16 00:00:00

Graph Neural Networks (GNNs) are a class of machine-learning models that operate on graph-structured data. Their expressive power is intimately related to logics that are invariant under graded bisimilarity. Current proposals for recurrent GNNs either assume that the graph size is given to the model, or suffer from a lack of termination guarantees. In this paper, we propose a halting mechanism for recurrent GNNs. We prove that our halting model can express all node classifiers definable in graded modal mu-calculus, even for the standard GNN variant that is oblivious to the graph size. A recent breakthrough in the study of the expressivity of graded modal mu-calculus in the finite suggests that conversely, restricted to node classifiers definable in monadic second-order logic, recurrent GNNs can express only node classifiers definable in graded modal mu-calculus. To prove our main result, we develop a new approximate semantics for graded mu-calculus, which we believe to be of independent interest. We leverage this new semantics into a new model-checking algorithm, called the counting algorithm, which is oblivious to the graph size. In a final step we show that the counting algorithm can be implemented on a halting recurrent GNN.
Addition is almost all you need: Compressing neural networks with double binary factorization
Authors: Vladimír Boža, Vladimír Macko
Date: 2025-05-16 00:00:00
Tasks: All, Binarization, Quantization

Binary quantization approaches, which replace weight matrices with binary matrices and substitute costly multiplications with cheaper additions, offer a computationally efficient approach to address the increasing computational and storage requirements of Large Language Models (LLMs). However, the severe quantization constraint ($\pm1$) can lead to significant accuracy degradation. In this paper, we propose Double Binary Factorization (DBF), a novel method that factorizes dense weight matrices into products of two binary (sign) matrices, each accompanied by scaling vectors. DBF preserves the efficiency advantages of binary representations while achieving compression rates that are competitive with or superior to state-of-the-art methods. Specifically, in a 1-bit per weight range, DBF is better than existing binarization approaches. In a 2-bit per weight range, DBF is competitive with the best quantization methods like QuIP\# and QTIP. Unlike most existing compression techniques, which offer limited compression level choices, DBF allows fine-grained control over compression ratios by adjusting the factorization's intermediate dimension. Based on this advantage, we further introduce an algorithm for estimating non-uniform layer-wise compression ratios for DBF, based on previously developed channel pruning criteria. Code available at: https://github.com/usamec/double_binary
ShiQ: Bringing back Bellman to LLMs
Authors: Pierre Clavier, Nathan Grinsztajn, Raphael Avalos, Yannis Flet-Berliac, Irem Ergun, Omar D. Domingues, Eugene Tarassov, Olivier Pietquin, Pierre H. Richemond, Florian Strub, Matthieu Geist
Date: 2025-05-16 00:00:00
Tasks: Q-Learning, Reinforcement Learning (RL), Specificity

The fine-tuning of pre-trained large language models (LLMs) using reinforcement learning (RL) is generally formulated as direct policy optimization. This approach was naturally favored as it efficiently improves a pretrained LLM, seen as an initial policy. Another RL paradigm, Q-learning methods, has received far less attention in the LLM community while demonstrating major success in various non-LLM RL tasks. In particular, Q-learning effectiveness comes from its sample efficiency and ability to learn offline, which is particularly valuable given the high computational cost of sampling with LLMs. However, naively applying a Q-learning-style update to the model's logits is ineffective due to the specificity of LLMs. Our core contribution is to derive theoretically grounded loss functions from Bellman equations to adapt Q-learning methods to LLMs. To do so, we carefully adapt insights from the RL literature to account for LLM-specific characteristics, ensuring that the logits become reliable Q-value estimates. We then use this loss to build a practical algorithm, ShiQ for Shifted-Q, that supports off-policy, token-wise learning while remaining simple to implement. Finally, we evaluate ShiQ on both synthetic data and real-world benchmarks, e.g., UltraFeedback and BFCL-V3, demonstrating its effectiveness in both single-turn and multi-turn LLM settings
Fault Diagnosis across Heterogeneous Domains via Self-Adaptive Temporal-Spatial Attention and Sample Generation
Authors: Guangqiang Li, M. Amine Atoui, Xiangshun Li
Date: 2025-05-16 00:00:00
Tasks: Fault Diagnosis

Deep learning methods have shown promising performance in fault diagnosis for multimode process. Most existing studies assume that the collected health state categories from different operating modes are identical. However, in real industrial scenarios, these categories typically exhibit only partial overlap. The incompleteness of the available data and the large distributional differences between the operating modes pose a significant challenge to existing fault diagnosis methods. To address this problem, a novel fault diagnosis model named self-adaptive temporal-spatial attention network (TSA-SAN) is proposed. First, inter-mode mappings are constructed using healthy category data to generate multimode samples. To enrich the diversity of the fault data, interpolation is performed between healthy and fault samples. Subsequently, the fault diagnosis model is trained using real and generated data. The self-adaptive instance normalization is established to suppress irrelevant information while retaining essential statistical features for diagnosis. In addition, a temporal-spatial attention mechanism is constructed to focus on the key features, thus enhancing the generalization ability of the model. The extensive experiments demonstrate that the proposed model significantly outperforms the state-of-the-art methods. The code will be available on Github at https://github.com/GuangqiangLi/TSA-SAN.