pwc-archive/papers-with-abstracts huggingface dataset:
Safe Domains of Attraction for Discrete-Time Nonlinear Systems: Characterization and Verifiable Neural Network Estimation
Authors: Mohamed Serry, Haoyu Li, Ruikun Zhou, huan zhang, Jun Liu
Date: 2025-06-16 00:00:00

Analysis of nonlinear autonomous systems typically involves estimating domains of attraction, which have been a topic of extensive research interest for decades. Despite that, accurately estimating domains of attraction for nonlinear systems remains a challenging task, where existing methods are conservative or limited to low-dimensional systems. The estimation becomes even more challenging when accounting for state constraints. In this work, we propose a framework to accurately estimate safe (state-constrained) domains of attraction for discrete-time autonomous nonlinear systems. In establishing this framework, we first derive a new Zubov equation, whose solution corresponds to the exact safe domain of attraction. The solution to the aforementioned Zubov equation is shown to be unique and continuous over the whole state space. We then present a physics-informed approach to approximating the solution of the Zubov equation using neural networks. To obtain certifiable estimates of the domain of attraction from the neural network approximate solutions, we propose a verification framework that can be implemented using standard verification tools (e.g., $\alpha,\!\beta$-CROWN and dReal). To illustrate its effectiveness, we demonstrate our approach through numerical examples concerning nonlinear systems with state constraints.
Making deep neural networks work for medical audio: representation, compression and domain adaptation
Authors: Charles C Onu
Date: 2025-05-24 00:00:00
Tasks: Domain Adaptation, Model Compression, Tensor Decomposition, Transfer Learning

This thesis addresses the technical challenges of applying machine learning to understand and interpret medical audio signals. The sounds of our lungs, heart, and voice convey vital information about our health. Yet, in contemporary medicine, these sounds are primarily analyzed through auditory interpretation by experts using devices like stethoscopes. Automated analysis offers the potential to standardize the processing of medical sounds, enable screening in low-resource settings where physicians are scarce, and detect subtle patterns that may elude human perception, thereby facilitating early diagnosis and treatment. Focusing on the analysis of infant cry sounds to predict medical conditions, this thesis contributes on four key fronts. First, in low-data settings, we demonstrate that large databases of adult speech can be harnessed through neural transfer learning to develop more accurate and robust models for infant cry analysis. Second, in cost-effective modeling, we introduce an end-to-end model compression approach for recurrent networks using tensor decomposition. Our method requires no post-hoc processing, achieves compression rates of several hundred-fold, and delivers accurate, portable models suitable for resource-constrained devices. Third, we propose novel domain adaptation techniques tailored for audio models and adapt existing methods from computer vision. These approaches address dataset bias and enhance generalization across domains while maintaining strong performance on the original data. Finally, to advance research in this domain, we release a unique, open-source dataset of infant cry sounds, developed in collaboration with clinicians worldwide. This work lays the foundation for recognizing the infant cry as a vital sign and highlights the transformative potential of AI-driven audio monitoring in shaping the future of accessible and affordable healthcare.
HAELT: A Hybrid Attentive Ensemble Learning Transformer Framework for High-Frequency Stock Price Forecasting
Authors: Thanh Dan Bui
Date: 2025-06-09 00:00:00
Tasks: Algorithmic Trading, Ensemble Learning, Stock Price Prediction

High-frequency stock price prediction is challenging due to non-stationarity, noise, and volatility. To tackle these issues, we propose the Hybrid Attentive Ensemble Learning Transformer (HAELT), a deep learning framework combining a ResNet-based noise-mitigation module, temporal self-attention for dynamic focus on relevant history, and a hybrid LSTM-Transformer core that captures both local and long-range dependencies. These components are adaptively ensembled based on recent performance. Evaluated on hourly Apple Inc. (AAPL) data from Jan 2024 to May 2025, HAELT achieves the highest F1-Score on the test set, effectively identifying both upward and downward price movements. This demonstrates HAELT's potential for robust, practical financial forecasting and algorithmic trading.
Mirror Descent Using the Tempesta Generalized Multi-parametric Logarithms
Authors: Andrzej Cichocki
Date: 2025-06-08 00:00:00

In this paper, we develop a wide class Mirror Descent (MD) algorithms, which play a key role in machine learning. For this purpose we formulated the constrained optimization problem, in which we exploits the Bregman divergence with the Tempesta multi-parametric deformation logarithm as a link function. This link function called also mirror function defines the mapping between the primal and dual spaces and is associated with a very-wide (in fact, theoretically infinite) class of generalized trace-form entropies. In order to derive novel MD updates, we estimate generalized exponential function, which closely approximates the inverse of the multi-parametric Tempesta generalized logarithm. The shape and properties of the Tempesta logarithm and its inverse-deformed exponential functions can be tuned by several hyperparameters. By learning these hyperparameters, we can adapt to distribution or geometry of training data, and we can adjust them to achieve desired properties of MD algorithms. The concept of applying multi-parametric logarithms allow us to generate a new wide and flexible family of MD and mirror-less MD updates.
Bures-Wasserstein Flow Matching for Graph Generation
Authors: Keyue Jiang, Jiahao Cui, Xiaowen Dong, Laura Toni
Date: 2025-06-16 00:00:00
Tasks: 3D Molecule Generation, Drug Discovery, Graph Generation

Graph generation has emerged as a critical task in fields ranging from molecule design to drug discovery. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between a reference distribution and the data distribution. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations to build the path assuming that the data lie in Euclidean space. We show that this is suboptimal given the intrinsic non-Euclidean structure and interconnected patterns of graphs, and it poses risks to the sampling convergence. To build a better probability path, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design the probability path for graph generation. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that respects the underlying geometry of graphs and provides smooth velocities in the probability path. The novel framework can be adapted to both continuous and discrete flow-matching algorithms. Experimental evaluations in plain graph generation and 2D/3D molecule generation validate the effectiveness of BWFlow in graph generation with competitive performance, stable training, and guaranteed sampling convergence.
Scientifically-Interpretable Reasoning Network (ScIReN): Uncovering the Black-Box of Nature
Authors: Joshua Fan, Haodi Xu, Feng Tao, Md Nasim, Marc Grimson, Yiqi Luo, Carla P. Gomes
Date: 2025-06-16 00:00:00
Tasks: scientific discovery

Neural networks are a powerful tool for learning patterns from data. However, they do not respect known scientific laws, nor can they reveal novel scientific insights due to their black-box nature. In contrast, scientific reasoning distills biological or physical principles from observations and controlled experiments, and quantitatively interprets them with process-based models made of mathematical equations. Yet, process-based models rely on numerous free parameters that must be set in an ad-hoc manner, and thus often fit observations poorly in cross-scale predictions. While prior work has embedded process-based models in conventional neural networks, discovering interpretable relationships between parameters in process-based models and input features is still a grand challenge for scientific discovery. We thus propose Scientifically-Interpretable Reasoning Network (ScIReN), a fully-transparent framework that combines interpretable neural and process-based reasoning. An interpretable encoder predicts scientifically-meaningful latent parameters, which are then passed through a differentiable process-based decoder to predict labeled output variables. ScIReN also uses a novel hard-sigmoid constraint layer to restrict latent parameters to meaningful ranges defined by scientific prior knowledge, further enhancing its interpretability. While the embedded process-based model enforces established scientific knowledge, the encoder reveals new scientific mechanisms and relationships hidden in conventional black-box models. We apply ScIReN on two tasks: simulating the flow of organic carbon through soils, and modeling ecosystem respiration from plants. In both tasks, ScIReN outperforms black-box networks in predictive accuracy while providing substantial scientific interpretability -- it can infer latent scientific mechanisms and their relationships with input features.
Toward a Graph Foundation Model: Pre-Training Transformers With Random Walks
Authors: Ziyuan Tang, Jie Chen
Date: 2025-06-17 00:00:00

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we build similar models for graphs? This paper describes an approach toward a graph foundation model that is pre-trained with diverse graph datasets by adapting the Transformer backbone. A central challenge toward this end is how a sequence model encodes graphs of varying sizes and from different domains. We propose representing a node as multiple random walks, such that the Transformer can extract node representations from sequences, which in turn form edge and graph representations. We develop a novel context prediction loss for these random walks and theoretically analyze their expressive power in distinguishing neighborhoods and graphs. We also demonstrate the pre-training of our model and its adaptation to downstream tasks, showcasing its potential as a foundation for processing and reasoning with graph-structured data.
SKOLR: Structured Koopman Operator Linear RNN for Time-Series Forecasting
Authors: Yitian Zhang, Liheng Ma, Antonios Valkanas, Boris N. Oreshkin, Mark Coates
Date: 2025-06-17 00:00:00
Tasks: Time Series, Time Series Forecasting

Koopman operator theory provides a framework for nonlinear dynamical system analysis and time-series forecasting by mapping dynamics to a space of real-valued measurement functions, enabling a linear operator representation. Despite the advantage of linearity, the operator is generally infinite-dimensional. Therefore, the objective is to learn measurement functions that yield a tractable finite-dimensional Koopman operator approximation. In this work, we establish a connection between Koopman operator approximation and linear Recurrent Neural Networks (RNNs), which have recently demonstrated remarkable success in sequence modeling. We show that by considering an extended state consisting of lagged observations, we can establish an equivalence between a structured Koopman operator and linear RNN updates. Building on this connection, we present SKOLR, which integrates a learnable spectral decomposition of the input signal with a multilayer perceptron (MLP) as the measurement functions and implements a structured Koopman operator via a highly parallel linear RNN stack. Numerical experiments on various forecasting benchmarks and dynamical systems show that this streamlined, Koopman-theory-based design delivers exceptional performance.
CLGNN: A Contrastive Learning-based GNN Model for Betweenness Centrality Prediction on Temporal Graphs
Authors: Tianming Zhang, Renbo Zhang, Zhengyi Yang, Yunjun Gao, Bin Cao, Jing Fan
Date: 2025-06-17 00:00:00
Tasks: Contrastive Learning, Graph Neural Network

Temporal Betweenness Centrality (TBC) measures how often a node appears on optimal temporal paths, reflecting its importance in temporal networks. However, exact computation is highly expensive, and real-world TBC distributions are extremely imbalanced. The severe imbalance leads learning-based models to overfit to zero-centrality nodes, resulting in inaccurate TBC predictions and failure to identify truly central nodes. Existing graph neural network (GNN) methods either fail to handle such imbalance or ignore temporal dependencies altogether. To address these issues, we propose a scalable and inductive contrastive learning-based GNN (CLGNN) for accurate and efficient TBC prediction. CLGNN builds an instance graph to preserve path validity and temporal order, then encodes structural and temporal features using dual aggregation, i.e., mean and edge-to-node multi-head attention mechanisms, enhanced by temporal path count and time encodings. A stability-based clustering-guided contrastive module (KContrastNet) is introduced to separate high-, median-, and low-centrality nodes in representation space, mitigating class imbalance, while a regression module (ValueNet) estimates TBC values. CLGNN also supports multiple optimal path definitions to accommodate diverse temporal semantics. Extensive experiments demonstrate the effectiveness and efficiency of CLGNN across diverse benchmarks. CLGNN achieves up to a 663.7~$\times$ speedup compared to state-of-the-art exact TBC computation methods. It outperforms leading static GNN baselines with up to 31.4~$\times$ lower MAE and 16.7~$\times$ higher Spearman correlation, and surpasses state-of-the-art temporal GNNs with up to 5.7~$\times$ lower MAE and 3.9~$\times$ higher Spearman correlation.
Less is More: Undertraining Experts Improves Model Upcycling
Authors: Stefan Horoi, Guy Wolf, Eugene Belilovsky, Gintare Karolina Dziugaite
Date: 2025-06-17 00:00:00
Tasks: Memorization, model, Transfer Learning

Modern deep learning is increasingly characterized by the use of open-weight foundation models that can be fine-tuned on specialized datasets. This has led to a proliferation of expert models and adapters, often shared via platforms like HuggingFace and AdapterHub. To leverage these resources, numerous model upcycling methods have emerged, enabling the reuse of fine-tuned models in multi-task systems. A natural pipeline has thus formed to harness the benefits of transfer learning and amortize sunk training costs: models are pre-trained on general data, fine-tuned on specific tasks, and then upcycled into more general-purpose systems. A prevailing assumption is that improvements at one stage of this pipeline propagate downstream, leading to gains at subsequent steps. In this work, we challenge that assumption by examining how expert fine-tuning affects model upcycling. We show that long fine-tuning of experts that optimizes for their individual performance leads to degraded merging performance, both for fully fine-tuned and LoRA-adapted models, and to worse downstream results when LoRA adapters are upcycled into MoE layers. We trace this degradation to the memorization of a small set of difficult examples that dominate late fine-tuning steps and are subsequently forgotten during merging. Finally, we demonstrate that a task-dependent aggressive early stopping strategy can significantly improve upcycling performance.
NeuroCoreX: An Open-Source FPGA-Based Spiking Neural Network Emulator with On-Chip Learning
Authors: Ashish Gautam, Prasanna Date, Shruti Kulkarni, Robert Patton, Thomas Potok
Date: 2025-06-17 00:00:00

Spiking Neural Networks (SNNs) are computational models inspired by the structure and dynamics of biological neuronal networks. Their event-driven nature enables them to achieve high energy efficiency, particularly when deployed on neuromorphic hardware platforms. Unlike conventional Artificial Neural Networks (ANNs), which primarily rely on layered architectures, SNNs naturally support a wide range of connectivity patterns, from traditional layered structures to small-world graphs characterized by locally dense and globally sparse connections. In this work, we introduce NeuroCoreX, an FPGA-based emulator designed for the flexible co-design and testing of SNNs. NeuroCoreX supports all-to-all connectivity, providing the capability to implement diverse network topologies without architectural restrictions. It features a biologically motivated local learning mechanism based on Spike-Timing-Dependent Plasticity (STDP). The neuron model implemented within NeuroCoreX is the Leaky Integrate-and-Fire (LIF) model, with current-based synapses facilitating spike integration and transmission . A Universal Asynchronous Receiver-Transmitter (UART) interface is provided for programming and configuring the network parameters, including neuron, synapse, and learning rule settings. Users interact with the emulator through a simple Python-based interface, streamlining SNN deployment from model design to hardware execution. NeuroCoreX is released as an open-source framework, aiming to accelerate research and development in energy-efficient, biologically inspired computing.
DiffusionBlocks: Blockwise Training for Generative Models via Score-Based Diffusion
Authors: Makoto Shing, Takuya Akiba
Date: 2025-06-17 00:00:00
Tasks: Denoising, Image Generation, Language Modeling, Language Modelling

Training large neural networks with end-to-end backpropagation creates significant memory bottlenecks, limiting accessibility to state-of-the-art AI research. We propose $\textit{DiffusionBlocks}$, a novel training framework that interprets neural network blocks as performing denoising operations in a continuous-time diffusion process. By partitioning the network into independently trainable blocks and optimizing noise level assignments based on equal cumulative probability mass, our approach achieves significant memory efficiency while maintaining competitive performance compared to traditional backpropagation in generative tasks. Experiments on image generation and language modeling tasks demonstrate memory reduction proportional to the number of blocks while achieving superior performance. DiffusionBlocks provides a promising pathway for democratizing access to large-scale neural network training with limited computational resources.
Knowledge Adaptation as Posterior Correction
Authors: Mohammad Emtiyaz Khan
Date: 2025-06-17 00:00:00
Tasks: Federated Learning

Adaptation is the holy grail of intelligence, but even the best AI models (like GPT) lack the adaptivity of toddlers. So the question remains: how can machines adapt quickly? Despite a lot of progress on model adaptation to facilitate continual and federated learning, as well as model merging, editing, unlearning, etc., little is known about the mechanisms by which machines can naturally learn to adapt in a similar way as humans and animals. Here, we show that all such adaptation methods can be seen as different ways of `correcting' the approximate posteriors. More accurate posteriors lead to smaller corrections, which in turn imply quicker adaptation. The result is obtained by using a dual-perspective of the Bayesian Learning Rule of Khan and Rue (2023) where interference created during adaptation is characterized by the natural-gradient mismatch over the past data. We present many examples to demonstrate the use of posterior-correction as a natural mechanism for the machines to learn to adapt quickly.
Adjustment for Confounding using Pre-Trained Representations
Authors: Rickmer Schulte, David Rügamer, Thomas Nagler
Date: 2025-06-17 00:00:00
Tasks: parameter estimation, Transfer Learning

There is growing interest in extending average treatment effect (ATE) estimation to incorporate non-tabular data, such as images and text, which may act as sources of confounding. Neglecting these effects risks biased results and flawed scientific conclusions. However, incorporating non-tabular data necessitates sophisticated feature extractors, often in combination with ideas of transfer learning. In this work, we investigate how latent features from pre-trained neural networks can be leveraged to adjust for sources of confounding. We formalize conditions under which these latent features enable valid adjustment and statistical inference in ATE estimation, demonstrating results along the example of double machine learning. We discuss critical challenges inherent to latent feature learning and downstream parameter estimation arising from the high dimensionality and non-identifiability of representations. Common structural assumptions for obtaining fast convergence rates with additive or sparse linear models are shown to be unrealistic for latent features. We argue, however, that neural networks are largely insensitive to these issues. In particular, we show that neural networks can achieve fast convergence rates by adapting to intrinsic notions of sparsity and dimension of the learning problem.
IntelliLung: Advancing Safe Mechanical Ventilation using Offline RL with Hybrid Actions and Clinically Aligned Rewards
Authors: Muhammad Hamza Yousuf, Jason Li, Sahar Vahdati, Raphael Theilen, Jakob Wittenstein, Jens Lehmann
Date: 2025-06-17 00:00:00
Tasks: Offline RL, Reinforcement Learning (RL)

Invasive mechanical ventilation (MV) is a life-sustaining therapy for critically ill patients in the intensive care unit (ICU). However, optimizing its settings remains a complex and error-prone process due to patient-specific variability. While Offline Reinforcement Learning (RL) shows promise for MV control, current stateof-the-art (SOTA) methods struggle with the hybrid (continuous and discrete) nature of MV actions. Discretizing the action space limits available actions due to exponential growth in combinations and introduces distribution shifts that can compromise safety. In this paper, we propose optimizations that build upon prior work in action space reduction to address the challenges of discrete action spaces. We also adapt SOTA offline RL algorithms (IQL and EDAC) to operate directly on hybrid action spaces, thereby avoiding the pitfalls of discretization. Additionally, we introduce a clinically grounded reward function based on ventilator-free days and physiological targets, which provides a more meaningful optimization objective compared to traditional sparse mortality-based rewards. Our findings demonstrate that AI-assisted MV optimization may enhance patient safety and enable individualized lung support, representing a significant advancement toward intelligent, data-driven critical care solutions.