pwc-archive/papers-with-abstracts huggingface dataset:
Implicit bias produces neural scaling laws in learning curves, from perceptrons to deep networks
Authors: Francesco D'Amico, Dario Bocchi, Matteo Negri
Date: 2025-05-19 00:00:00

Scaling laws in deep learning - empirical power-law relationships linking model performance to resource growth - have emerged as simple yet striking regularities across architectures, datasets, and tasks. These laws are particularly impactful in guiding the design of state-of-the-art models, since they quantify the benefits of increasing data or model size, and hint at the foundations of interpretability in machine learning. However, most studies focus on asymptotic behavior at the end of training or on the optimal training time given the model size. In this work, we uncover a richer picture by analyzing the entire training dynamics through the lens of spectral complexity norms. We identify two novel dynamical scaling laws that govern how performance evolves during training. These laws together recover the well-known test error scaling at convergence, offering a mechanistic explanation of generalization emergence. Our findings are consistent across CNNs, ResNets, and Vision Transformers trained on MNIST, CIFAR-10 and CIFAR-100. Furthermore, we provide analytical support using a solvable model: a single-layer perceptron trained with binary cross-entropy. In this setting, we show that the growth of spectral complexity driven by the implicit bias mirrors the generalization behavior observed at fixed norm, allowing us to connect the performance dynamics to classical learning rules in the perceptron.
Diffusion Models with Double Guidance: Generate with aggregated datasets
Authors: Yanfeng Yang, Kenji Fukumizu
Date: 2025-05-19 00:00:00
Tasks: Image Generation

Creating large-scale datasets for training high-performance generative models is often prohibitively expensive, especially when associated attributes or annotations must be provided. As a result, merging existing datasets has become a common strategy. However, the sets of attributes across datasets are often inconsistent, and their naive concatenation typically leads to block-wise missing conditions. This presents a significant challenge for conditional generative modeling when the multiple attributes are used jointly as conditions, thereby limiting the model's controllability and applicability. To address this issue, we propose a novel generative approach, Diffusion Model with Double Guidance, which enables precise conditional generation even when no training samples contain all conditions simultaneously. Our method maintains rigorous control over multiple conditions without requiring joint annotations. We demonstrate its effectiveness in molecular and image generation tasks, where it outperforms existing baselines both in alignment with target conditional distributions and in controllability under missing condition settings.
Inferring stochastic dynamics with growth from cross-sectional data
Authors: Stephen Zhang, Suryanarayana Maddu, Xiaojie Qiu, Victor Chardès
Date: 2025-05-19 00:00:00

Time-resolved single-cell omics data offers high-throughput, genome-wide measurements of cellular states, which are instrumental to reverse-engineer the processes underpinning cell fate. Such technologies are inherently destructive, allowing only cross-sectional measurements of the underlying stochastic dynamical system. Furthermore, cells may divide or die in addition to changing their molecular state. Collectively these present a major challenge to inferring realistic biophysical models. We present a novel approach, \emph{unbalanced} probability flow inference, that addresses this challenge for biological processes modelled as stochastic dynamics with growth. By leveraging a Lagrangian formulation of the Fokker-Planck equation, our method accurately disentangles drift from intrinsic noise and growth. We showcase the applicability of our approach through evaluation on a range of simulated and real single-cell RNA-seq datasets. Comparing to several existing methods, we find our method achieves higher accuracy while enjoying a simple two-step training scheme.
A Malliavin-Gamma calculus approach to Score Based Diffusion Generative models for random fields
Authors: Giacomo Greco
Date: 2025-05-19 00:00:00

We adopt a Gamma and Malliavin Calculi point of view in order to generalize Score-based diffusion Generative Models (SGMs) to an infinite-dimensional abstract Hilbertian setting. Particularly, we define the forward noising process using Dirichlet forms associated to the Cameron-Martin space of Gaussian measures and Wiener chaoses; whereas by relying on an abstract time-reversal formula, we show that the score function is a Malliavin derivative and it corresponds to a conditional expectation. This allows us to generalize SGMs to the infinite-dimensional setting. Moreover, we extend existing finite-dimensional entropic convergence bounds to this Hilbertian setting by highlighting the role played by the Cameron-Martin norm in the Fisher information of the data distribution. Lastly, we specify our discussion for spherical random fields, considering as source of noise a Whittle-Mat\'ern random spherical field.
Interpretable Robotic Friction Learning via Symbolic Regression
Authors: Philipp Scholl, Alexander Dietrich, Sebastian Wolf, Jinoh Lee, Alin-Albu Schäffer, Gitta Kutyniok, Maged Iskandar
Date: 2025-05-19 00:00:00
Tasks: Friction, regression, Symbolic Regression

Accurately modeling the friction torque in robotic joints has long been challenging due to the request for a robust mathematical description. Traditional model-based approaches are often labor-intensive, requiring extensive experiments and expert knowledge, and they are difficult to adapt to new scenarios and dependencies. On the other hand, data-driven methods based on neural networks are easier to implement but often lack robustness, interpretability, and trustworthiness--key considerations for robotic hardware and safety-critical applications such as human-robot interaction. To address the limitations of both approaches, we propose the use of symbolic regression (SR) to estimate the friction torque. SR generates interpretable symbolic formulas similar to those produced by model-based methods while being flexible to accommodate various dynamic effects and dependencies. In this work, we apply SR algorithms to approximate the friction torque using collected data from a KUKA LWR-IV+ robot. Our results show that SR not only yields formulas with comparable complexity to model-based approaches but also achieves higher accuracy. Moreover, SR-derived formulas can be seamlessly extended to include load dependencies and other dynamic factors.
RIFLES: Resource-effIcient Federated LEarning via Scheduling
Authors: Sara Alosaime, Arshad Jhumka
Date: 2025-05-19 00:00:00
Tasks: Federated Learning, Privacy Preserving, Scheduling, Time Series Forecasting

Federated Learning (FL) is a privacy-preserving machine learning technique that allows decentralized collaborative model training across a set of distributed clients, by avoiding raw data exchange. A fundamental component of FL is the selection of a subset of clients in each round for model training by a central server. Current selection strategies are myopic in nature in that they are based on past or current interactions, often leading to inefficiency issues such as straggling clients. In this paper, we address this serious shortcoming by proposing the RIFLES approach that builds a novel availability forecasting layer to support the client selection process. We make the following contributions: (i) we formalise the sequential selection problem and reduce it to a scheduling problem and show that the problem is NP-complete, (ii) leveraging heartbeat messages from clients, RIFLES build an availability prediction layer to support (long term) selection decisions, (iii) we propose a novel adaptive selection strategy to support efficient learning and resource usage. To circumvent the inherent exponential complexity, we present RIFLES, a heuristic that leverages clients' historical availability data by using a CNN-LSTM time series forecasting model, allowing the server to predict the optimal participation times of clients, thereby enabling informed selection decisions. By comparing against other FL techniques, we show that RIFLES provide significant improvement by between 10%-50% on a variety of metrics such as accuracy and test loss. To the best of our knowledge, it is the first work to investigate FL as a scheduling problem.
Zero-Shot Adaptation of Behavioral Foundation Models to Unseen Dynamics
Authors: Maksim Bobrin, Ilya Zisman, Alexander Nikulin, Vladislav Kurenkov, Dmitry Dylov
Date: 2025-05-19 00:00:00

Behavioral Foundation Models (BFMs) proved successful in producing policies for arbitrary tasks in a zero-shot manner, requiring no test-time training or task-specific fine-tuning. Among the most promising BFMs are the ones that estimate the successor measure learned in an unsupervised way from task-agnostic offline data. However, these methods fail to react to changes in the dynamics, making them inefficient under partial observability or when the transition function changes. This hinders the applicability of BFMs in a real-world setting, e.g., in robotics, where the dynamics can unexpectedly change at test time. In this work, we demonstrate that Forward-Backward (FB) representation, one of the methods from the BFM family, cannot distinguish between distinct dynamics, leading to an interference among the latent directions, which parametrize different policies. To address this, we propose a FB model with a transformer-based belief estimator, which greatly facilitates zero-shot adaptation. We also show that partitioning the policy encoding space into dynamics-specific clusters, aligned with the context-embedding directions, yields additional gain in performance. These traits allow our method to respond to the dynamics observed during training and to generalize to unseen ones. Empirically, in the changing dynamics setting, our approach achieves up to a 2x higher zero-shot returns compared to the baselines for both discrete and continuous tasks.
Parallel Layer Normalization for Universal Approximation
Authors: Yunhao Ni, Yuhe Liu, Wenxin Sun, Yitong Tang, Yuxin Guo, Peilin Feng, Wenjun Wu, Lei Huang
Date: 2025-05-19 00:00:00

Universal approximation theorem (UAT) is a fundamental theory for deep neural networks (DNNs), demonstrating their powerful representation capacity to represent and approximate any function. The analyses and proofs of UAT are based on traditional network with only linear and nonlinear activation functions, but omitting normalization layers, which are commonly employed to enhance the training of modern networks. This paper conducts research on UAT of DNNs with normalization layers for the first time. We theoretically prove that an infinitely wide network -- composed solely of parallel layer normalization (PLN) and linear layers -- has universal approximation capacity. Additionally, we investigate the minimum number of neurons required to approximate $L$-Lipchitz continuous functions, with a single hidden-layer network. We compare the approximation capacity of PLN with traditional activation functions in theory. Different from the traditional activation functions, we identify that PLN can act as both activation function and normalization in deep neural networks at the same time. We also find that PLN can improve the performance when replacing LN in transformer architectures, which reveals the potential of PLN used in neural architectures.
Neurosymbolic Diffusion Models
Authors: Emile van Krieken, Pasquale Minervini, Edoardo Ponti, Antonio Vergari
Date: 2025-05-19 00:00:00
Tasks: Autonomous Driving, Uncertainty Quantification, Visual Reasoning

Neurosymbolic (NeSy) predictors combine neural perception with symbolic reasoning to solve tasks like visual reasoning. However, standard NeSy predictors assume conditional independence between the symbols they extract, thus limiting their ability to model interactions and uncertainty - often leading to overconfident predictions and poor out-of-distribution generalisation. To overcome the limitations of the independence assumption, we introduce neurosymbolic diffusion models (NeSyDMs), a new class of NeSy predictors that use discrete diffusion to model dependencies between symbols. Our approach reuses the independence assumption from NeSy predictors at each step of the diffusion process, enabling scalable learning while capturing symbol dependencies and uncertainty quantification. Across both synthetic and real-world benchmarks - including high-dimensional visual path planning and rule-based autonomous driving - NeSyDMs achieve state-of-the-art accuracy among NeSy predictors and demonstrate strong calibration.
Attention-based clustering
Authors: Rodrigo Maulen-Soto, Claire Boyer, Pierre Marion
Date: 2025-05-19 00:00:00
Tasks: Clustering

Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an unsupervised setting. In particular, we demonstrate their suitability for clustering when the input data is generated from a Gaussian mixture model. To this end, we study a simplified two-head attention layer and define a population risk whose minimization with unlabeled data drives the head parameters to align with the true mixture centroids.
Why Knowledge Distillation Works in Generative Models: A Minimal Working Explanation
Authors: Sungmin Cha, Kyunghyun Cho
Date: 2025-05-19 00:00:00
Tasks: Knowledge Distillation, Language Modeling, Language Modelling

Knowledge distillation (KD) is a core component in the training and deployment of modern generative models, particularly large language models (LLMs). While its empirical benefits are well documented--enabling smaller student models to emulate the performance of much larger teachers--the underlying mechanisms by which KD improves generative quality remain poorly understood. In this work, we present a minimal working explanation of KD in generative modeling. Using a controlled simulation with mixtures of Gaussians, we demonstrate that distillation induces a trade-off between precision and recall in the student model. As the teacher distribution becomes more selective, the student concentrates more probability mass on high-likelihood regions at the expense of coverage--a behavior modulated by a single entropy-controlling parameter. We then validate this effect in a large-scale language modeling setup using the SmolLM2 family of models. Empirical results reveal the same precision-recall dynamics observed in simulation, where precision corresponds to sample quality and recall to distributional coverage. This precision-recall trade-off proves especially beneficial in scenarios where sample quality outweighs diversity, such as instruction tuning or downstream generation. Our analysis provides a simple and general explanation for the effectiveness of KD in generative modeling.
Time series saliency maps: explaining models across multiple domains
Authors: Christodoulos Kechris, Jonathan Dan, David Atienza
Date: 2025-05-19 00:00:00
Tasks: Explainable Artificial Intelligence (XAI), Interpretability Techniques for Deep Learning, Photoplethysmography (PPG) heart rate estimation, Seizure Detection, Time Series, Time Series Forecasting

Traditional saliency map methods, popularized in computer vision, highlight individual points (pixels) of the input that contribute the most to the model's output. However, in time-series they offer limited insights as semantically meaningful features are often found in other domains. We introduce Cross-domain Integrated Gradients, a generalization of Integrated Gradients. Our method enables feature attributions on any domain that can be formulated as an invertible, differentiable transformation of the time domain. Crucially, our derivation extends the original Integrated Gradients into the complex domain, enabling frequency-based attributions. We provide the necessary theoretical guarantees, namely, path independence and completeness. Our approach reveals interpretable, problem-specific attributions that time-domain methods cannot capture, on three real-world tasks: wearable sensor heart rate extraction, electroencephalography-based seizure detection, and zero-shot time-series forecasting. We release an open-source Tensorflow/PyTorch library to enable plug-and-play cross-domain explainability for time-series models. These results demonstrate the ability of cross-domain integrated gradients to provide semantically meaningful insights in time-series models that are impossible with traditional time-domain saliency.
Treatment Effect Estimation for Optimal Decision-Making
Authors: Dennis Frauen, Valentyn Melnychuk, Jonas Schweisthal, Stefan Feuerriegel
Date: 2025-05-19 00:00:00
Tasks: Decision Making

Decision-making across various fields, such as medicine, heavily relies on conditional average treatment effects (CATEs). Practitioners commonly make decisions by checking whether the estimated CATE is positive, even though the decision-making performance of modern CATE estimators is poorly understood from a theoretical perspective. In this paper, we study optimal decision-making based on two-stage CATE estimators (e.g., DR-learner), which are considered state-of-the-art and widely used in practice. We prove that, while such estimators may be optimal for estimating CATE, they can be suboptimal when used for decision-making. Intuitively, this occurs because such estimators prioritize CATE accuracy in regions far away from the decision boundary, which is ultimately irrelevant to decision-making. As a remedy, we propose a novel two-stage learning objective that retargets the CATE to balance CATE estimation error and decision performance. We then propose a neural method that optimizes an adaptively-smoothed approximation of our learning objective. Finally, we confirm the effectiveness of our method both empirically and theoretically. In sum, our work is the first to show how two-stage CATE estimators can be adapted for optimal decision-making.
Universal Semantic Disentangled Privacy-preserving Speech Representation Learning
Authors: Biel Tura Vecino, Subhadeep Maji, Aravind Varier, Antonio Bonafonte, Ivan Valles, Michael Owen, Leif Rädel, Grant Strimel, Seyi Feyisetan, Roberto Barra Chicote, Ariya Rastrow, Constantinos Papayiannis, Volker Leutnant, Trevor Wood
Date: 2025-05-19 00:00:00
Tasks: Decoder, Privacy Preserving, Representation Learning, Speaker anonymization, Speech Representation Learning

The use of audio recordings of human speech to train LLMs poses privacy concerns due to these models' potential to generate outputs that closely resemble artifacts in the training data. In this study, we propose a speaker privacy-preserving representation learning method through the Universal Speech Codec (USC), a computationally efficient encoder-decoder model that disentangles speech into: (i) privacy-preserving semantically rich representations, capturing content and speech paralinguistics, and (ii) residual acoustic and speaker representations that enables high-fidelity reconstruction. Extensive evaluations presented show that USC's semantic representation preserves content, prosody, and sentiment, while removing potentially identifiable speaker attributes. Combining both representations, USC achieves state-of-the-art speech reconstruction. Additionally, we introduce an evaluation methodology for measuring privacy-preserving properties, aligning with perceptual tests. We compare USC against other codecs in the literature and demonstrate its effectiveness on privacy-preserving representation learning, illustrating the trade-offs of speaker anonymization, paralinguistics retention and content preservation in the learned semantic representations. Audio samples are shared in https://www.amazon.science/usc-samples.
Orthogonal Survival Learners for Estimating Heterogeneous Treatment Effects from Time-to-Event Data
Authors: Dennis Frauen, Maresa Schröder, Konstantin Hess, Stefan Feuerriegel
Date: 2025-05-19 00:00:00
Tasks: Survival Analysis

Estimating heterogeneous treatment effects (HTEs) is crucial for personalized decision-making. However, this task is challenging in survival analysis, which includes time-to-event data with censored outcomes (e.g., due to study dropout). In this paper, we propose a toolbox of novel orthogonal survival learners to estimate HTEs from time-to-event data under censoring. Our learners have three main advantages: (i) we show that learners from our toolbox are guaranteed to be orthogonal and thus come with favorable theoretical properties; (ii) our toolbox allows for incorporating a custom weighting function, which can lead to robustness against different types of low overlap, and (iii) our learners are model-agnostic (i.e., they can be combined with arbitrary machine learning models). We instantiate the learners from our toolbox using several weighting functions and, as a result, propose various neural orthogonal survival learners. Some of these coincide with existing survival learners (including survival versions of the DR- and R-learner), while others are novel and further robust w.r.t. low overlap regimes specific to the survival setting (i.e., survival overlap and censoring overlap). We then empirically verify the effectiveness of our learners for HTE estimation in different low-overlap regimes through numerical experiments. In sum, we provide practitioners with a large toolbox of learners that can be used for randomized and observational studies with censored time-to-event data.
OmniFC: Rethinking Federated Clustering via Lossless and Secure Distance Reconstruction
Authors: Jie Yan, Xin Liu, Zhong-Yuan Zhang
Date: 2025-05-19 00:00:00
Tasks: Clustering

Federated clustering (FC) aims to discover global cluster structures across decentralized clients without sharing raw data, making privacy preservation a fundamental requirement. There are two critical challenges: (1) privacy leakage during collaboration, and (2) robustness degradation due to aggregation of proxy information from non-independent and identically distributed (Non-IID) local data, leading to inaccurate or inconsistent global clustering. Existing solutions typically rely on model-specific local proxies, which are sensitive to data heterogeneity and inherit inductive biases from their centralized counterparts, thus limiting robustness and generality. We propose Omni Federated Clustering (OmniFC), a unified and model-agnostic framework. Leveraging Lagrange coded computing, our method enables clients to share only encoded data, allowing exact reconstruction of the global distance matrix--a fundamental representation of sample relationships--without leaking private information, even under client collusion. This construction is naturally resilient to Non-IID data distributions. This approach decouples FC from model-specific proxies, providing a unified extension mechanism applicable to diverse centralized clustering methods. Theoretical analysis confirms both reconstruction fidelity and privacy guarantees, while comprehensive experiments demonstrate OmniFC's superior robustness, effectiveness, and generality across various benchmarks compared to state-of-the-art methods. Code will be released.