pwc-archive/papers-with-abstracts huggingface dataset:
Enhancing Physics-Informed Neural Networks Through Feature Engineering
Authors: Shaghayegh Fazliani, Zachary Frangella, Madeleine Udell
Date: 2025-02-11 00:00:00
Tasks: Feature Engineering

Physics-Informed Neural Networks (PINNs) seek to solve partial differential equations (PDEs) with deep learning. Mainstream approaches that deploy fully-connected multi-layer deep learning architectures require prolonged training to achieve even moderate accuracy, while recent work on feature engineering allows higher accuracy and faster convergence. This paper introduces SAFE-NET, a Single-layered Adaptive Feature Engineering NETwork that achieves orders-of-magnitude lower errors with far fewer parameters than baseline feature engineering methods. SAFE-NET returns to basic ideas in machine learning, using Fourier features, a simplified single hidden layer network architecture, and an effective optimizer that improves the conditioning of the PINN optimization problem. Numerical results show that SAFE-NET converges faster and typically outperforms deeper networks and more complex architectures. It consistently uses fewer parameters -- on average, 65% fewer than the competing feature engineering methods -- while achieving comparable accuracy in less than 30% of the training epochs. Moreover, each SAFE-NET epoch is 95% faster than those of competing feature engineering approaches. These findings challenge the prevailing belief that modern PINNs effectively learn features in these scientific applications and highlight the efficiency gains possible through feature engineering.
Improve the Training Efficiency of DRL for Wireless Communication Resource Allocation: The Role of Generative Diffusion Models
Authors: Xinren Zhang, Jiadong Yu
Date: 2025-02-11 00:00:00
Tasks: Deep Reinforcement Learning

Dynamic resource allocation in mobile wireless networks involves complex, time-varying optimization problems, motivating the adoption of deep reinforcement learning (DRL). However, most existing works rely on pre-trained policies, overlooking dynamic environmental changes that rapidly invalidate the policies. Periodic retraining becomes inevitable but incurs prohibitive computational costs and energy consumption-critical concerns for resource-constrained wireless systems. We identify three root causes of inefficient retraining: high-dimensional state spaces, suboptimal action spaces exploration-exploitation trade-offs, and reward design limitations. To overcome these limitations, we propose Diffusion-based Deep Reinforcement Learning (D2RL), which leverages generative diffusion models (GDMs) to holistically enhance all three DRL components. Iterative refinement process and distribution modelling of GDMs enable (1) the generation of diverse state samples to improve environmental understanding, (2) balanced action space exploration to escape local optima, and (3) the design of discriminative reward functions that better evaluate action quality. Our framework operates in two modes: Mode I leverages GDMs to explore reward spaces and design discriminative reward functions that rigorously evaluate action quality, while Mode II synthesizes diverse state samples to enhance environmental understanding and generalization. Extensive experiments demonstrate that D2RL achieves faster convergence and reduced computational costs over conventional DRL methods for resource allocation in wireless communications while maintaining competitive policy performance. This work underscores the transformative potential of GDMs in overcoming fundamental DRL training bottlenecks for wireless networks, paving the way for practical, real-time deployments.
Evaluation for Regression Analyses on Evolving Data Streams
Authors: Yibin Sun, Heitor Murilo Gomes, Bernhard Pfahringer, Albert Bifet
Date: 2025-02-11 00:00:00
Tasks: regression

The paper explores the challenges of regression analysis in evolving data streams, an area that remains relatively underexplored compared to classification. We propose a standardized evaluation process for regression and prediction interval tasks in streaming contexts. Additionally, we introduce an innovative drift simulation strategy capable of synthesizing various drift types, including the less-studied incremental drift. Comprehensive experiments with state-of-the-art methods, conducted under the proposed process, validate the effectiveness and robustness of our approach.
LUNAR: LLM Unlearning via Neural Activation Redirection
Authors: William F. Shen, Xinchi Qiu, Meghdad Kurmanji, Alex Iacob, Lorenzo Sani, Yihong Chen, Nicola Cancedda, Nicholas D. Lane
Date: 2025-02-11 00:00:00

Large Language Models (LLMs) benefit from training on ever larger amounts of textual data, but as a result, they increasingly incur the risk of leaking private information. The ability to selectively remove knowledge from LLMs is, therefore, a highly desirable capability. In this paper, we propose LUNAR, a novel unlearning methodology grounded in the Linear Representation Hypothesis. LUNAR operates by redirecting the representations of unlearned data to regions that trigger the model's inherent ability to express its inability to answer. LUNAR achieves state-of-the-art unlearning performance while significantly enhancing the controllability of the unlearned model during inference. Specifically, LUNAR achieves between 2.9x to 11.7x improvements on combined "unlearning efficacy" and "model utility" score ("Deviation Score") on the PISTOL dataset across various base models. We also demonstrate, through quantitative analysis and qualitative examples, LUNAR's superior controllability in generating coherent and contextually aware responses, mitigating undesired side effects of existing methods. Moreover, we demonstrate that LUNAR is robust against white-box adversarial attacks and versatile in handling real-world scenarios, such as processing sequential unlearning requests.
A Memory Efficient Randomized Subspace Optimization Method for Training Large Language Models
Authors: Yiming Chen, Yuan Zhang, Yin Liu, Kun Yuan, Zaiwen Wen
Date: 2025-02-11 00:00:00

The memory challenges associated with training Large Language Models (LLMs) have become a critical concern, particularly when using the Adam optimizer. To address this issue, numerous memory-efficient techniques have been proposed, with GaLore standing out as a notable example designed to reduce the memory footprint of optimizer states. However, these approaches do not alleviate the memory burden imposed by activations, rendering them unsuitable for scenarios involving long context sequences or large mini-batches. Moreover, their convergence properties are still not well-understood in the literature. In this work, we introduce a Randomized Subspace Optimization framework for pre-training and fine-tuning LLMs. Our approach decomposes the high-dimensional training problem into a series of lower-dimensional subproblems. At each iteration, a random subspace is selected, and the parameters within that subspace are optimized. This structured reduction in dimensionality allows our method to simultaneously reduce memory usage for both activations and optimizer states. We establish comprehensive convergence guarantees and derive rates for various scenarios, accommodating different optimization strategies to solve the subproblems. Extensive experiments validate the superior memory and communication efficiency of our method, achieving performance comparable to GaLore and Adam.
Simplifying Adversarially Robust PAC Learning with Tolerance
Authors: Hassan Ashtiani, Vinayak Pathak, Ruth Urner
Date: 2025-02-11 00:00:00
Tasks: PAC learning

Adversarially robust PAC learning has proved to be challenging, with the currently best known learners [Montasser et al., 2021a] relying on improper methods based on intricate compression schemes, resulting in sample complexity exponential in the VC-dimension. A series of follow up work considered a slightly relaxed version of the problem called adversarially robust learning with tolerance [Ashtiani et al., 2023, Bhattacharjee et al., 2023, Raman et al., 2024] and achieved better sample complexity in terms of the VC-dimension. However, those algorithms were either improper and complex, or required additional assumptions on the hypothesis class H. We prove, for the first time, the existence of a simpler learner that achieves a sample complexity linear in the VC-dimension without requiring additional assumptions on H. Even though our learner is improper, it is "almost proper" in the sense that it outputs a hypothesis that is "similar" to a hypothesis in H. We also use the ideas from our algorithm to construct a semi-supervised learner in the tolerant setting. This simple algorithm achieves comparable bounds to the previous (non-tolerant) semi-supervised algorithm of Attias et al. [2022a], but avoids the use of intricate subroutines from previous works, and is "almost proper."
NARCE: A Mamba-Based Neural Algorithmic Reasoner Framework for Online Complex Event Detection
Authors: Liying Han, Gaofeng Dong, Xiaomin Ouyang, Lance Kaplan, Federico Cerutti, Mani Srivastava
Date: 2025-02-11 00:00:00
Tasks: Event Detection, Mamba

Current machine learning models excel in short-span perception tasks but struggle to derive high-level insights from long-term observation, a capability central to understanding complex events (CEs). CEs, defined as sequences of short-term atomic events (AEs) governed by spatiotemporal rules, are challenging to detect online due to the need to extract meaningful patterns from long and noisy sensor data while ignoring irrelevant events. We hypothesize that state-based methods are well-suited for CE detection, as they capture event progression through state transitions without requiring long-term memory. Baseline experiments validate this, demonstrating that the state-space model Mamba outperforms existing architectures. However, Mamba's reliance on extensive labeled data, which are difficult to obtain, motivates our second hypothesis: decoupling CE rule learning from noisy sensor data can reduce data requirements. To address this, we propose NARCE, a framework that combines Neural Algorithmic Reasoning (NAR) to split the task into two components: (i) learning CE rules independently of sensor data using synthetic concept traces generated by LLMs and (ii) mapping sensor inputs to these rules via an adapter. Our results show that NARCE outperforms baselines in accuracy, generalization to unseen and longer sensor data, and data efficiency, significantly reducing annotation costs while advancing robust CE detection.
Variational Learning Induces Adaptive Label Smoothing
Authors: Sin-Han Yang, Zhedong Liu, Gian Maria Marconi, Mohammad Emtiyaz Khan
Date: 2025-02-11 00:00:00

We show that variational learning naturally induces an adaptive label smoothing where label noise is specialized for each example. Such label-smoothing is useful to handle examples with labeling errors and distribution shifts, but designing a good adaptivity strategy is not always easy. We propose to skip this step and simply use the natural adaptivity induced during the optimization of a variational objective. We show empirical results where a variational algorithm called IVON outperforms traditional label smoothing and yields adaptivity strategies similar to those of an existing approach. By connecting Bayesian methods to label smoothing, our work provides a new way to handle overconfident predictions.
Dataset Ownership Verification in Contrastive Pre-trained Models
Authors: Yuechen Xie, Jie Song, Mengqi Xue, Haofei Zhang, Xingen Wang, Bingde Hu, Genlang Chen, Mingli Song
Date: 2025-02-11 00:00:00
Tasks: Contrastive Learning

High-quality open-source datasets, which necessitate substantial efforts for curation, has become the primary catalyst for the swift progress of deep learning. Concurrently, protecting these datasets is paramount for the well-being of the data owner. Dataset ownership verification emerges as a crucial method in this domain, but existing approaches are often limited to supervised models and cannot be directly extended to increasingly popular unsupervised pre-trained models. In this work, we propose the first dataset ownership verification method tailored specifically for self-supervised pre-trained models by contrastive learning. Its primary objective is to ascertain whether a suspicious black-box backbone has been pre-trained on a specific unlabeled dataset, aiding dataset owners in upholding their rights. The proposed approach is motivated by our empirical insights that when models are trained with the target dataset, the unary and binary instance relationships within the embedding space exhibit significant variations compared to models trained without the target dataset. We validate the efficacy of this approach across multiple contrastive pre-trained models including SimCLR, BYOL, SimSiam, MOCO v3, and DINO. The results demonstrate that our method rejects the null hypothesis with a $p$-value markedly below $0.05$, surpassing all previous methodologies. Our code is available at https://github.com/xieyc99/DOV4CL.
Exploratory Diffusion Model for Unsupervised Reinforcement Learning
Authors: Chengyang Ying, Huayu Chen, Xinning Zhou, Zhongkai Hao, Hang Su, Jun Zhu
Date: 2025-02-11 00:00:00
Tasks: Efficient Exploration, model, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Unsupervised Reinforcement Learning

Unsupervised reinforcement learning (URL) aims to pre-train agents by exploring diverse states or skills in reward-free environments, facilitating efficient adaptation to downstream tasks. As the agent cannot access extrinsic rewards during unsupervised exploration, existing methods design intrinsic rewards to model the explored data and encourage further exploration. However, the explored data are always heterogeneous, posing the requirements of powerful representation abilities for both intrinsic reward models and pre-trained policies. In this work, we propose the Exploratory Diffusion Model (ExDM), which leverages the strong expressive ability of diffusion models to fit the explored data, simultaneously boosting exploration and providing an efficient initialization for downstream tasks. Specifically, ExDM can accurately estimate the distribution of collected data in the replay buffer with the diffusion model and introduces the score-based intrinsic reward, encouraging the agent to explore less-visited states. After obtaining the pre-trained policies, ExDM enables rapid adaptation to downstream tasks. In detail, we provide theoretical analyses and practical algorithms for fine-tuning diffusion policies, addressing key challenges such as training instability and computational complexity caused by multi-step sampling. Extensive experiments demonstrate that ExDM outperforms existing SOTA baselines in efficient unsupervised exploration and fast fine-tuning downstream tasks, especially in structurally complicated environments.
Supervised Contrastive Block Disentanglement
Authors: Taro Makino, Ji Won Park, Natasa Tagasovska, Takamasa Kudo, Paula Coelho, Jan-Christian Huetter, Heming Yao, Burkhard Hoeckendorf, Ana Carolina Leote, Stephen Ra, David Richmond, Kyunghyun Cho, Aviv Regev, Romain Lopez
Date: 2025-02-11 00:00:00
Tasks: Contrastive Learning, Disentanglement, Domain Generalization

Real-world datasets often combine data collected under different experimental conditions. This yields larger datasets, but also introduces spurious correlations that make it difficult to model the phenomena of interest. We address this by learning two embeddings to independently represent the phenomena of interest and the spurious correlations. The embedding representing the phenomena of interest is correlated with the target variable $y$, and is invariant to the environment variable $e$. In contrast, the embedding representing the spurious correlations is correlated with $e$. The invariance to $e$ is difficult to achieve on real-world datasets. Our primary contribution is an algorithm called Supervised Contrastive Block Disentanglement (SCBD) that effectively enforces this invariance. It is based purely on Supervised Contrastive Learning, and applies to real-world data better than existing approaches. We empirically validate SCBD on two challenging problems. The first problem is domain generalization, where we achieve strong performance on a synthetic dataset, as well as on Camelyon17-WILDS. We introduce a single hyperparameter $\alpha$ to control the degree of invariance to $e$. When we increase $\alpha$ to strengthen the degree of invariance, out-of-distribution performance improves at the expense of in-distribution performance. The second problem is batch correction, in which we apply SCBD to preserve biological signal and remove inter-well batch effects when modeling single-cell perturbations from 26 million Optical Pooled Screening images.
Treatment Effect Estimation for Exponential Family Outcomes using Neural Networks with Targeted Regularization
Authors: Jiahong Li, Zeqin Yang, Jiayi Dan, Jixing Xu, Zhichao Zou, Peng Zhen, Jiecheng Guo
Date: 2025-02-11 00:00:00

Neural Networks (NNs) have became a natural choice for treatment effect estimation due to their strong approximation capabilities. Nevertheless, how to design NN-based estimators with desirable properties, such as low bias and doubly robustness, still remains a significant challenge. A common approach to address this is targeted regularization, which modifies the objective function of NNs. However, existing works on targeted regularization are limited to Gaussian-distributed outcomes, significantly restricting their applicability in real-world scenarios. In this work, we aim to bridge this blank by extending this framework to the boarder exponential family outcomes. Specifically, we first derive the von-Mises expansion of the Average Dose function of Canonical Functions (ADCF), which inspires us how to construct a doubly robust estimator with good properties. Based on this, we develop a NN-based estimator for ADCF by generalizing functional targeted regularization to exponential families, and provide the corresponding theoretical convergence rate. Extensive experimental results demonstrate the effectiveness of our proposed model.
Neural Flow Samplers with Shortcut Models
Authors: Wuhao Chen, Zijing Ou, Yingzhen Li
Date: 2025-02-11 00:00:00

Sampling from unnormalized densities is a fundamental task across various domains. Flow-based samplers generate samples by learning a velocity field that satisfies the continuity equation, but this requires estimating the intractable time derivative of the partition function. While importance sampling provides an approximation, it suffers from high variance. To mitigate this, we introduce a velocity-driven Sequential Monte Carlo method combined with control variates to reduce variance. Additionally, we incorporate a shortcut model to improve efficiency by minimizing the number of sampling steps. Empirical results on both synthetic datasets and $n$-body system targets validate the effectiveness of our approach.
Effects of Random Edge-Dropping on Over-Squashing in Graph Neural Networks
Authors: Jasraj Singh, Keyue Jiang, Brooks Paige, Laura Toni
Date: 2025-02-11 00:00:00

Message Passing Neural Networks (MPNNs) are a class of Graph Neural Networks (GNNs) that leverage the graph topology to propagate messages across increasingly larger neighborhoods. The message-passing scheme leads to two distinct challenges: over-smoothing and over-squashing. While several algorithms, e.g. DropEdge and its variants -- DropNode, DropAgg and DropGNN -- have successfully addressed the over-smoothing problem, their impact on over-squashing remains largely unexplored. This represents a critical gap in the literature as failure to mitigate over-squashing would make these methods unsuitable for long-range tasks. In this work, we take the first step towards closing this gap by studying the aforementioned algorithms in the context of over-squashing. We present novel theoretical results that characterize the negative effects of DropEdge on sensitivity between distant nodes, suggesting its unsuitability for long-range tasks. Our findings are easily extended to its variants, allowing us to build a comprehensive understanding of how they affect over-squashing. We evaluate these methods using real-world datasets, demonstrating their detrimental effects. Specifically, we show that while DropEdge-variants improve test-time performance in short range tasks, they deteriorate performance in long-range ones. Our theory explains these results as follows: random edge-dropping lowers the effective receptive field of GNNs, which although beneficial for short-range tasks, misaligns the models on long-range ones. This forces the models to overfit to short-range artefacts in the training set, resulting in poor generalization. Our conclusions highlight the need to re-evaluate various methods designed for training deep GNNs, with a renewed focus on modelling long-range interactions.
Interpretable Rules for Online Failure Prediction: A Case Study on the Metro do Porto dataset
Authors: Matthias Jakobs, Bruno Veloso, Joao Gama
Date: 2025-02-11 00:00:00

Due to their high predictive performance, predictive maintenance applications have increasingly been approached with Deep Learning techniques in recent years. However, as in other real-world application scenarios, the need for explainability is often stated but not sufficiently addressed. This study will focus on predicting failures on Metro trains in Porto, Portugal. While recent works have found high-performing deep neural network architectures that feature a parallel explainability pipeline, the generated explanations are fairly complicated and need help explaining why the failures are happening. This work proposes a simple online rule-based explainability approach with interpretable features that leads to straightforward, interpretable rules. We showcase our approach on MetroPT2 and find that three specific sensors on the Metro do Porto trains suffice to predict the failures present in the dataset with simple rules.
No Data, No Optimization: A Lightweight Method To Disrupt Neural Networks With Sign-Flips
Authors: Ido Galil, Moshe Kimhi, Ran El-Yaniv
Date: 2025-02-11 00:00:00

Deep Neural Networks (DNNs) can be catastrophically disrupted by flipping only a handful of sign bits in their parameters. We introduce Deep Neural Lesion (DNL), a data-free, lightweight method that locates these critical parameters and triggers massive accuracy drops. We validate its efficacy on a wide variety of computer vision models and datasets. The method requires no training data or optimization and can be carried out via common exploits software, firmware or hardware based attack vectors. An enhanced variant that uses a single forward and backward pass further amplifies the damage beyond DNL's zero-pass approach. Flipping just two sign bits in ResNet50 on ImageNet reduces accuracy by 99.8\%. We also show that selectively protecting a small fraction of vulnerable sign bits provides a practical defense against such attacks.