pwc-archive/papers-with-abstracts huggingface dataset:
Training-Aware Risk Control for Intensity Modulated Radiation Therapies Quality Assurance with Conformal Prediction
Authors: Kevin He, David Adam, Sarah Han-Oh, Anqi Liu
Date: 2025-01-15 00:00:00
Tasks: Conformal Prediction, Decision Making, Specificity

Measurement quality assurance (QA) practices play a key role in the safe use of Intensity Modulated Radiation Therapies (IMRT) for cancer treatment. These practices have reduced measurement-based IMRT QA failure below 1%. However, these practices are time and labor intensive which can lead to delays in patient care. In this study, we examine how conformal prediction methodologies can be used to robustly triage plans. We propose a new training-aware conformal risk control method by combining the benefit of conformal risk control and conformal training. We incorporate the decision making thresholds based on the gamma passing rate, along with the risk functions used in clinical evaluation, into the design of the risk control framework. Our method achieves high sensitivity and specificity and significantly reduces the number of plans needing measurement without generating a huge confidence interval. Our results demonstrate the validity and applicability of conformal prediction methods for improving efficiency and reducing the workload of the IMRT QA process.
Approximating Fixpoints of Approximated Functions
Authors: Paolo Baldan, Sebastian Gurke, Barbara König, Tommaso Padoan, Florian Wittbold
Date: 2025-01-15 00:00:00
Tasks: Model-based Reinforcement Learning

Fixpoints are ubiquitous in computer science and when dealing with quantitative semantics and verification one often considers least fixpoints of (higher-dimensional) functions over the non-negative reals. We show how to approximate the least fixpoint of such functions, focusing on the case in which they are not known precisely, but represented by a sequence of approximating functions that converge to them. We concentrate on monotone and non-expansive functions, for which uniqueness of fixpoints is not guaranteed and standard fixpoint iteration schemes might get stuck at a fixpoint that is not the least. Our main contribution is the identification of an iteration scheme, a variation of Mann iteration with a dampening factor, which, under suitable conditions, is shown to guarantee convergence to the least fixpoint of the function of interest. We then argue that these results are relevant in the context of model-based reinforcement learning for Markov decision processes, showing how the proposed iteration scheme instantiates and allows us to derive convergence to the optimal expected return. More generally, we show that our results can be used to iterate to the least fixpoint almost surely for systems where the function of interest can be approximated with given probabilistic error bounds, as it happens for probabilistic systems, such as simple stochastic games, which can be explored via sampling.
A Reinforcement Learning Approach to Quiet and Safe UAM Traffic Management
Authors: Surya Murthy, John-Paul Clarke, Ufuk Topcu, Zhenyu Gao
Date: 2025-01-15 00:00:00
Tasks: Management, Multi-agent Reinforcement Learning, reinforcement-learning, Reinforcement Learning

Urban air mobility (UAM) is a transformative system that operates various small aerial vehicles in urban environments to reshape urban transportation. However, integrating UAM into existing urban environments presents a variety of complex challenges. Recent analyses of UAM's operational constraints highlight aircraft noise and system safety as key hurdles to UAM system implementation. Future UAM air traffic management schemes must ensure that the system is both quiet and safe. We propose a multi-agent reinforcement learning approach to manage UAM traffic, aiming at both vertical separation assurance and noise mitigation. Through extensive training, the reinforcement learning agent learns to balance the two primary objectives by employing altitude adjustments in a multi-layer UAM network. The results reveal the tradeoffs among noise impact, traffic congestion, and separation. Overall, our findings demonstrate the potential of reinforcement learning in mitigating UAM's noise impact while maintaining safe separation using altitude adjustments
A Partial Initialization Strategy to Mitigate the Overfitting Problem in CATE Estimation with Hidden Confounding
Authors: Chuan Zhou, Yaxuan Li, Chunyuan Zheng, Haiteng Zhang, Haoxuan Li, Mingming Gong
Date: 2025-01-15 00:00:00
Tasks: counterfactual

Estimating the conditional average treatment effect (CATE) from observational data plays a crucial role in areas such as e-commerce, healthcare, and economics. Existing studies mainly rely on the strong ignorability assumption that there are no hidden confounders, whose existence cannot be tested from observational data and can invalidate any causal conclusion. In contrast, data collected from randomized controlled trials (RCT) do not suffer from confounding but are usually limited by a small sample size. To avoid overfitting caused by the small-scale RCT data, we propose a novel two-stage pretraining-finetuning (TSPF) framework with a partial parameter initialization strategy to estimate the CATE in the presence of hidden confounding. In the first stage, a foundational representation of covariates is trained to estimate counterfactual outcomes through large-scale observational data. In the second stage, we propose to train an augmented representation of the covariates, which is concatenated with the foundational representation obtained in the first stage to adjust for the hidden confounding. Rather than training a separate network from scratch, part of the prediction heads are initialized from the first stage. The superiority of our approach is validated on two datasets with extensive experiments.
PAC Learnability of Scenario Decision-Making Algorithms: Necessary and Sufficient Conditions
Authors: Guillaume O. Berger, Raphaël M. Jungers
Date: 2025-01-15 00:00:00
Tasks: Binary Classification, Decision Making

We study the PAC property of scenario decision-making algorithms, that is, the ability to make a decision that has an arbitrarily low risk of violating an unknown safety constraint, provided sufficiently many realizations (called scenarios) of the safety constraint are sampled. Sufficient conditions for scenario decision-making algorithms to be PAC are available in the literature, such as finiteness of the VC dimension of its associated classifier and existence of a compression scheme. We study the question of whether these sufficient conditions are also necessary. We show with counterexamples that this is not the case in general. This contrasts with binary classification learning, for which the analogous conditions are sufficient and necessary. Popular scenario decision-making algorithms, such as scenario optimization, enjoy additional properties, such as stability and consistency. We show that even under these additional assumptions the above conclusions hold. Finally, we derive a necessary condition for scenario decision-making algorithms to be PAC, inspired by the VC dimension and the so-called no-free-lunch theorem.
Improved Compression Bounds for Scenario Decision Making
Authors: Guillaume O. Berger, Raphaël M. Jungers
Date: 2025-01-15 00:00:00
Tasks: Decision Making

Scenario decision making offers a flexible way of making decision in an uncertain environment while obtaining probabilistic guarantees on the risk of failure of the decision. The idea of this approach is to draw samples of the uncertainty and make a decision based on the samples, called "scenarios". The probabilistic guarantees take the form of a bound on the probability of sampling a set of scenarios that will lead to a decision whose risk of failure is above a given maximum tolerance. This bound can be expressed as a function of the number of sampled scenarios, the maximum tolerated risk, and some intrinsic property of the problem called the "compression size". Several such bounds have been proposed in the literature under various assumptions on the problem. We propose new bounds that improve upon the existing ones without requiring stronger assumptions on the problem.
Increasing Batch Size Improves Convergence of Stochastic Gradient Descent with Momentum
Authors: Keisuke Kamo, Hideaki Iiduka
Date: 2025-01-15 00:00:00

Stochastic gradient descent with momentum (SGDM), which is defined by adding a momentum term to SGD, has been well studied in both theory and practice. Theoretically investigated results showed that the settings of the learning rate and momentum weight affect the convergence of SGDM. Meanwhile, practical results showed that the setting of batch size strongly depends on the performance of SGDM. In this paper, we focus on mini-batch SGDM with constant learning rate and constant momentum weight, which is frequently used to train deep neural networks in practice. The contribution of this paper is showing theoretically that using a constant batch size does not always minimize the expectation of the full gradient norm of the empirical loss in training a deep neural network, whereas using an increasing batch size definitely minimizes it, that is, increasing batch size improves convergence of mini-batch SGDM. We also provide numerical results supporting our analyses, indicating specifically that mini-batch SGDM with an increasing batch size converges to stationary points faster than with a constant batch size. Python implementations of the optimizers used in the numerical experiments are available at https://anonymous.4open.science/r/momentum-increasing-batch-size-888C/.
Deep Learning Meets Queue-Reactive: A Framework for Realistic Limit Order Book Simulation
Authors: Hamza Bodor, Laurent Carlier
Date: 2025-01-15 00:00:00
Tasks: Computational Efficiency

The Queue-Reactive model introduced by Huang et al. (2015) has become a standard tool for limit order book modeling, widely adopted by both researchers and practitioners for its simplicity and effectiveness. We present the Multidimensional Deep Queue-Reactive (MDQR) model, which extends this framework in three ways: it relaxes the assumption of queue independence, enriches the state space with market features, and models the distribution of order sizes. Through a neural network architecture, the model learns complex dependencies between different price levels and adapts to varying market conditions, while preserving the interpretable point-process foundation of the original framework. Using data from the Bund futures market, we show that MDQR captures key market properties including the square-root law of market impact, cross-queue correlations, and realistic order size patterns. The model demonstrates particular strength in reproducing both conditional and stationary distributions of order sizes, as well as various stylized facts of market microstructure. The model achieves this while maintaining the computational efficiency needed for practical applications such as strategy development through reinforcement learning or realistic backtesting.
A Closer Look at the Learnability of Out-of-Distribution (OOD) Detection
Authors: Konstantin Garov, Kamalika Chaudhuri
Date: 2025-01-15 00:00:00
Tasks: Learning Theory, Out of Distribution (OOD) Detection, PAC learning

Machine learning algorithms often encounter different or "out-of-distribution" (OOD) data at deployment time, and OOD detection is frequently employed to detect these examples. While it works reasonably well in practice, existing theoretical results on OOD detection are highly pessimistic. In this work, we take a closer look at this problem, and make a distinction between uniform and non-uniform learnability, following PAC learning theory. We characterize under what conditions OOD detection is uniformly and non-uniformly learnable, and we show that in several cases, non-uniform learnability turns a number of negative results into positive. In all cases where OOD detection is learnable, we provide concrete learning algorithms and a sample-complexity analysis.
Deep learning for temporal super-resolution 4D Flow MRI
Authors: Pia Callmer, Mia Bonini, Edward Ferdian, David Nordsletten, Daniel Giese, Alistair A. Young, Alexander Fyrdahl, David Marlevi
Date: 2025-01-15 00:00:00
Tasks: Deep Learning, Super-Resolution

4D Flow Magnetic Resonance Imaging (4D Flow MRI) is a non-invasive technique for volumetric, time-resolved blood flow quantification. However, apparent trade-offs between acquisition time, image noise, and resolution limit clinical applicability. In particular, in regions of highly transient flow, coarse temporal resolution can hinder accurate capture of physiologically relevant flow variations. To overcome these issues, post-processing techniques using deep learning have shown promising results to enhance resolution post-scan using so-called super-resolution networks. However, while super-resolution has been focusing on spatial upsampling, temporal super-resolution remains largely unexplored. The aim of this study was therefore to implement and evaluate a residual network for temporal super-resolution 4D Flow MRI. To achieve this, an existing spatial network (4DFlowNet) was re-designed for temporal upsampling, adapting input dimensions, and optimizing internal layer structures. Training and testing were performed using synthetic 4D Flow MRI data originating from patient-specific in-silico models, as well as using in-vivo datasets. Overall, excellent performance was achieved with input velocities effectively denoised and temporally upsampled, with a mean absolute error (MAE) of 1.0 cm/s in an unseen in-silico setting, outperforming deterministic alternatives (linear interpolation MAE = 2.3 cm/s, sinc interpolation MAE = 2.6 cm/s). Further, the network synthesized high-resolution temporal information from unseen low-resolution in-vivo data, with strong correlation observed at peak flow frames. As such, our results highlight the potential of utilizing data-driven neural networks for temporal super-resolution 4D Flow MRI, enabling high-frame-rate flow quantification without extending acquisition times beyond clinically acceptable limits.
Nesterov Acceleration for Ensemble Kalman Inversion and Variants
Authors: Sydney Vernon, Eviatar Bach, Oliver R. A. Dunbar
Date: 2025-01-15 00:00:00

Ensemble Kalman inversion (EKI) is a derivative-free, particle-based optimization method for solving inverse problems. It can be shown that EKI approximates a gradient flow, which allows the application of methods for accelerating gradient descent. Here, we show that Nesterov acceleration is effective in speeding up the reduction of the EKI cost function on a variety of inverse problems. We also implement Nesterov acceleration for two EKI variants, unscented Kalman inversion and ensemble transform Kalman inversion. Our specific implementation takes the form of a particle-level nudge that is demonstrably simple to couple in a black-box fashion with any existing EKI variant algorithms, comes with no additional computational expense, and with no additional tuning hyperparameters. This work shows a pathway for future research to translate advances in gradient-based optimization into advances in gradient-free Kalman optimization.
MeshMask: Physics-Based Simulations with Masked Graph Neural Networks
Authors: Paul Garnier, Vincent Lannelongue, Jonathan Viquerat, Elie Hachem
Date: 2025-01-15 00:00:00
Tasks: Decoder

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn robust representations of complex fluid dynamics. We pair this masking strategy with an asymmetric encoder-decoder architecture and gated multi-layer perceptrons to further enhance performance. The proposed method achieves state-of-the-art results on seven CFD datasets, including a new challenging dataset of 3D intracranial aneurysm simulations with over 250,000 nodes per mesh. Moreover, it significantly improves model performance and training efficiency across such diverse range of fluid simulation tasks. We demonstrate improvements of up to 60\% in long-term prediction accuracy compared to previous best models, while maintaining similar computational costs. Notably, our approach enables effective pre-training on multiple datasets simultaneously, significantly reducing the time and data required to achieve high performance on new tasks. Through extensive ablation studies, we provide insights into the optimal masking ratio, architectural choices, and training strategies.
Resource-Constrained Federated Continual Learning: What Does Matter?
Authors: Yichen Li, Yuying Wang, Jiahua Dong, Haozhao Wang, Yining Qi, Rui Zhang, Ruixuan Li
Date: 2025-01-15 00:00:00
Tasks: Continual Learning, GPU, Incremental Learning, Privacy Preserving

Federated Continual Learning (FCL) aims to enable sequentially privacy-preserving model training on streams of incoming data that vary in edge devices by preserving previous knowledge while adapting to new data. Current FCL literature focuses on restricted data privacy and access to previously seen data while imposing no constraints on the training overhead. This is unreasonable for FCL applications in real-world scenarios, where edge devices are primarily constrained by resources such as storage, computational budget, and label rate. We revisit this problem with a large-scale benchmark and analyze the performance of state-of-the-art FCL approaches under different resource-constrained settings. Various typical FCL techniques and six datasets in two incremental learning scenarios (Class-IL and Domain-IL) are involved in our experiments. Through extensive experiments amounting to a total of over 1,000+ GPU hours, we find that, under limited resource-constrained settings, existing FCL approaches, with no exception, fail to achieve the expected performance. Our conclusions are consistent in the sensitivity analysis. This suggests that most existing FCL methods are particularly too resource-dependent for real-world deployment. Moreover, we study the performance of typical FCL techniques with resource constraints and shed light on future research directions in FCL.
GRAPPA - A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures
Authors: Marco Hoffmann, Hans Hasse, Fabian Jirasek
Date: 2025-01-15 00:00:00
Tasks: Graph Attention, Graph Neural Network, Prediction

Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source prediction method has been available. To overcome this, we have developed GRAPPA - a hybrid graph neural network for predicting vapor pressures of pure components. GRAPPA enables the prediction of the vapor pressure curve of basically any organic molecule, requiring only the molecular structure as input. The new model consists of three parts: A graph attention network for the message passing step, a pooling function that captures long-range interactions, and a prediction head that yields the component-specific parameters of the Antoine equation, from which the vapor pressure can readily and consistently be calculated for any temperature. We have trained and evaluated GRAPPA on experimental vapor pressure data of almost 25,000 pure components. We found excellent prediction accuracy for unseen components, outperforming state-of-the-art group contribution methods and other machine learning approaches in applicability and accuracy. The trained model and its code are fully disclosed, and GRAPPA is directly applicable via the interactive website ml-prop.mv.rptu.de.
Transformed Low-rank Adaptation via Tensor Decomposition and Its Applications to Text-to-image Models
Authors: Zerui Tao, Yuhta Takida, Naoki Murata, Qibin Zhao, Yuki Mitsufuji
Date: 2025-01-15 00:00:00
Tasks: parameter-efficient fine-tuning, Tensor Decomposition

Parameter-Efficient Fine-Tuning (PEFT) of text-to-image models has become an increasingly popular technique with many applications. Among the various PEFT methods, Low-Rank Adaptation (LoRA) and its variants have gained significant attention due to their effectiveness, enabling users to fine-tune models with limited computational resources. However, the approximation gap between the low-rank assumption and desired fine-tuning weights prevents the simultaneous acquisition of ultra-parameter-efficiency and better performance. To reduce this gap and further improve the power of LoRA, we propose a new PEFT method that combines two classes of adaptations, namely, transform and residual adaptations. In specific, we first apply a full-rank and dense transform to the pre-trained weight. This learnable transform is expected to align the pre-trained weight as closely as possible to the desired weight, thereby reducing the rank of the residual weight. Then, the residual part can be effectively approximated by more compact and parameter-efficient structures, with a smaller approximation error. To achieve ultra-parameter-efficiency in practice, we design highly flexible and effective tensor decompositions for both the transform and residual adaptations. Additionally, popular PEFT methods such as DoRA can be summarized under this transform plus residual adaptation scheme. Experiments are conducted on fine-tuning Stable Diffusion models in subject-driven and controllable generation. The results manifest that our method can achieve better performances and parameter efficiency compared to LoRA and several baselines.
Investigating Parameter-Efficiency of Hybrid QuGANs Based on Geometric Properties of Generated Sea Route Graphs
Authors: Tobias Rohe, Florian Burger, Michael Kölle, Sebastian Wölckert, Maximilian Zorn, Claudia Linnhoff-Popien
Date: 2025-01-15 00:00:00

The demand for artificially generated data for the development, training and testing of new algorithms is omnipresent. Quantum computing (QC), does offer the hope that its inherent probabilistic functionality can be utilised in this field of generative artificial intelligence. In this study, we use quantum-classical hybrid generative adversarial networks (QuGANs) to artificially generate graphs of shipping routes. We create a training dataset based on real shipping data and investigate to what extent QuGANs are able to learn and reproduce inherent distributions and geometric features of this data. We compare hybrid QuGANs with classical Generative Adversarial Networks (GANs), with a special focus on their parameter efficiency. Our results indicate that QuGANs are indeed able to quickly learn and represent underlying geometric properties and distributions, although they seem to have difficulties in introducing variance into the sampled data. Compared to classical GANs of greater size, measured in the number of parameters used, some QuGANs show similar result quality. Our reference to concrete use cases, such as the generation of shipping data, provides an illustrative example and demonstrate the potential and diversity in which QC can be used.