pwc-archive/papers-with-abstracts huggingface dataset:
Averaged Adam accelerates stochastic optimization in the training of deep neural network approximations for partial differential equation and optimal control problems
Authors: Steffen Dereich, Arnulf Jentzen, Adrian Riekert
Date: 2025-01-10 00:00:00
Tasks: image-classification, Image Classification, Stochastic Optimization

Deep learning methods - usually consisting of a class of deep neural networks (DNNs) trained by a stochastic gradient descent (SGD) optimization method - are nowadays omnipresent in data-driven learning problems as well as in scientific computing tasks such as optimal control (OC) and partial differential equation (PDE) problems. In practically relevant learning tasks, often not the plain-vanilla standard SGD optimization method is employed to train the considered class of DNNs but instead more sophisticated adaptive and accelerated variants of the standard SGD method such as the popular Adam optimizer are used. Inspired by the classical Polyak-Ruppert averaging approach, in this work we apply averaged variants of the Adam optimizer to train DNNs to approximately solve exemplary scientific computing problems in the form of PDEs and OC problems. We test the averaged variants of Adam in a series of learning problems including physics-informed neural network (PINN), deep backward stochastic differential equation (deep BSDE), and deep Kolmogorov approximations for PDEs (such as heat, Black-Scholes, Burgers, and Allen-Cahn PDEs), including DNN approximations for OC problems, and including DNN approximations for image classification problems (ResNet for CIFAR-10). In each of the numerical examples the employed averaged variants of Adam outperform the standard Adam and the standard SGD optimizers, particularly, in the situation of the scientific machine learning problems. The Python source codes for the numerical experiments associated to this work can be found on GitHub at https://github.com/deeplearningmethods/averaged-adam.
Explainable Federated Bayesian Causal Inference and Its Application in Advanced Manufacturing
Authors: Xiaofeng Xiao, Khawlah Alharbi, Pengyu Zhang, Hantang Qin, Xubo Yue
Date: 2025-01-10 00:00:00
Tasks: Causal Inference, Explainable artificial intelligence, Explainable Artificial Intelligence (XAI), Federated Learning

Causal inference has recently gained notable attention across various fields like biology, healthcare, and environmental science, especially within explainable artificial intelligence (xAI) systems, for uncovering the causal relationships among multiple variables and outcomes. Yet, it has not been fully recognized and deployed in the manufacturing systems. In this paper, we introduce an explainable, scalable, and flexible federated Bayesian learning framework, \texttt{xFBCI}, designed to explore causality through treatment effect estimation in distributed manufacturing systems. By leveraging federated Bayesian learning, we efficiently estimate posterior of local parameters to derive the propensity score for each client without accessing local private data. These scores are then used to estimate the treatment effect using propensity score matching (PSM). Through simulations on various datasets and a real-world Electrohydrodynamic (EHD) printing data, we demonstrate that our approach outperforms standard Bayesian causal inference methods and several state-of-the-art federated learning benchmarks.
A monthly sub-national Harmonized Food Insecurity Dataset for comprehensive analysis and predictive modeling
Authors: Mélissande Machefer, Michele Ronco, Anne-Claire Thomas, Michael Assouline, Melanie Rabier, Christina Corbane, Felix Rembold
Date: 2025-01-10 00:00:00
Tasks: Humanitarian

Food security is a complex, multidimensional concept challenging to measure comprehensively. Effective anticipation, monitoring, and mitigation of food crises require timely and comprehensive global data. This paper introduces the Harmonized Food Insecurity Dataset (HFID), an open-source resource consolidating four key data sources: the Integrated Food Security Phase Classification (IPC)/Cadre Harmonis\'e (CH) phases, the Famine Early Warning Systems Network (FEWS NET) IPC-compatible phases, and the World Food Program's (WFP) Food Consumption Score (FCS) and reduced Coping Strategy Index (rCSI). Updated monthly and using a common reference system for administrative units, the HFID offers extensive spatial and temporal coverage. It serves as a vital tool for food security experts and humanitarian agencies, providing a unified resource for analyzing food security conditions and highlighting global data disparities. The scientific community can also leverage the HFID to develop data-driven predictive models, enhancing the capacity to forecast and prevent future food crises.
Geometry and Optimization of Shallow Polynomial Networks
Authors: Yossi Arjevani, Joan Bruna, Joe Kileel, Elzbieta Polak, Matthew Trager
Date: 2025-01-10 00:00:00

We study shallow neural networks with polynomial activations. The function space for these models can be identified with a set of symmetric tensors with bounded rank. We describe general features of these networks, focusing on the relationship between width and optimization. We then consider teacher-student problems, that can be viewed as a problem of low-rank tensor approximation with respect to a non-standard inner product that is induced by the data distribution. In this setting, we introduce a teacher-metric discriminant which encodes the qualitative behavior of the optimization as a function of the training data distribution. Finally, we focus on networks with quadratic activations, presenting an in-depth analysis of the optimization landscape. In particular, we present a variation of the Eckart-Young Theorem characterizing all critical points and their Hessian signatures for teacher-student problems with quadratic networks and Gaussian training data.
Personalized Language Model Learning on Text Data Without User Identifiers
Authors: Yucheng Ding, Yangwenjian Tan, Xiangyu Liu, Chaoyue Niu, Fandong Meng, Jie zhou, Ning Liu, Fan Wu, Guihai Chen
Date: 2025-01-10 00:00:00
Tasks: Language Modeling, Language Modelling

In many practical natural language applications, user data are highly sensitive, requiring anonymous uploads of text data from mobile devices to the cloud without user identifiers. However, the absence of user identifiers restricts the ability of cloud-based language models to provide personalized services, which are essential for catering to diverse user needs. The trivial method of replacing an explicit user identifier with a static user embedding as model input still compromises data anonymization. In this work, we propose to let each mobile device maintain a user-specific distribution to dynamically generate user embeddings, thereby breaking the one-to-one mapping between an embedding and a specific user. We further theoretically demonstrate that to prevent the cloud from tracking users via uploaded embeddings, the local distributions of different users should either be derived from a linearly dependent space to avoid identifiability or be close to each other to prevent accurate attribution. Evaluation on both public and industrial datasets using different language models reveals a remarkable improvement in accuracy from incorporating anonymous user embeddings, while preserving real-time inference requirement.
COMIX: Compositional Explanations using Prototypes
Authors: Sarath Sivaprasad, Dmitry Kangin, Plamen Angelov, Mario Fritz
Date: 2025-01-10 00:00:00
Tasks: Decision Making, Feature Importance

Aligning machine representations with human understanding is key to improving interpretability of machine learning (ML) models. When classifying a new image, humans often explain their decisions by decomposing the image into concepts and pointing to corresponding regions in familiar images. Current ML explanation techniques typically either trace decision-making processes to reference prototypes, generate attribution maps highlighting feature importance, or incorporate intermediate bottlenecks designed to align with human-interpretable concepts. The proposed method, named COMIX, classifies an image by decomposing it into regions based on learned concepts and tracing each region to corresponding ones in images from the training dataset, assuring that explanations fully represent the actual decision-making process. We dissect the test image into selected internal representations of a neural network to derive prototypical parts (primitives) and match them with the corresponding primitives derived from the training data. In a series of qualitative and quantitative experiments, we theoretically prove and demonstrate that our method, in contrast to post hoc analysis, provides fidelity of explanations and shows that the efficiency is competitive with other inherently interpretable architectures. Notably, it shows substantial improvements in fidelity and sparsity metrics, including 48.82% improvement in the C-insertion score on the ImageNet dataset over the best state-of-the-art baseline.
Capability-Aware Shared Hypernetworks for Flexible Heterogeneous Multi-Robot Coordination
Authors: Kevin Fu, Shalin Anand Jain, Pierce Howell, Harish Ravichandar
Date: 2025-01-10 00:00:00
Tasks: Diversity, Imitation Learning, Meta-Learning, Transfer Learning, Zero-shot Generalization

Recent advances have enabled heterogeneous multi-robot teams to learn complex and effective coordination skills. However, existing neural architectures that support heterogeneous teaming tend to force a trade-off between expressivity and efficiency. Shared-parameter designs prioritize sample efficiency by enabling a single network to be shared across all or a pre-specified subset of robots (via input augmentations), but tend to limit behavioral diversity. In contrast, recent designs employ a separate policy for each robot, enabling greater diversity and expressivity at the cost of efficiency and generalization. Our key insight is that such tradeoffs can be avoided by viewing these design choices as ends of a broad spectrum. Inspired by recent work in transfer and meta learning, and building on prior work in multi-robot task allocation, we propose Capability-Aware Shared Hypernetworks (CASH), a soft weight sharing architecture that uses hypernetworks to efficiently learn a flexible shared policy that dynamically adapts to each robot post-training. By explicitly encoding the impact of robot capabilities (e.g., speed and payload) on collective behavior, CASH enables zero-shot generalization to unseen robots or team compositions. Our experiments involve multiple heterogeneous tasks, three learning paradigms (imitation learning, value-based, and policy-gradient RL), and SOTA multi-robot simulation (JaxMARL) and hardware (Robotarium) platforms. Across all conditions, we find that CASH generates appropriately-diverse behaviors and consistently outperforms baseline architectures in terms of performance and sample efficiency during both training and zero-shot generalization, all with 60%-80% fewer learnable parameters.
Investigating the Impact of Observation Space Design Choices On Training Reinforcement Learning Solutions for Spacecraft Problems
Authors: Nathaniel Hamilton, Kyle Dunlap, Kerianne L Hobbs
Date: 2025-01-10 00:00:00
Tasks: Reinforcement Learning (RL)

Recent research using Reinforcement Learning (RL) to learn autonomous control for spacecraft operations has shown great success. However, a recent study showed their performance could be improved by changing the action space, i.e. control outputs, used in the learning environment. This has opened the door for finding more improvements through further changes to the environment. The work in this paper focuses on how changes to the environment's observation space can impact the training and performance of RL agents learning the spacecraft inspection task. The studies are split into two groups. The first looks at the impact of sensors that were designed to help agents learn the task. The second looks at the impact of reference frames, reorienting the agent to see the world from a different perspective. The results show the sensors are not necessary, but most of them help agents learn more optimal behavior, and that the reference frame does not have a large impact, but is best kept consistent.
CoNOAir: A Neural Operator for Forecasting Carbon Monoxide Evolution in Cities
Authors: Sanchit Bedi, Karn Tiwari, Prathosh A. P., Sri Harsha Kota, N. M. Anoop Krishnan
Date: 2025-01-10 00:00:00

Carbon Monoxide (CO) is a dominant pollutant in urban areas due to the energy generation from fossil fuels for industry, automobile, and domestic requirements. Forecasting the evolution of CO in real-time can enable the deployment of effective early warning systems and intervention strategies. However, the computational cost associated with the physics and chemistry-based simulation makes it prohibitive to implement such a model at the city and country scale. To address this challenge, here, we present a machine learning model based on neural operator, namely, Complex Neural Operator for Air Quality (CoNOAir), that can effectively forecast CO concentrations. We demonstrate this by developing a country-level model for short-term (hourly) and long-term (72-hour) forecasts of CO concentrations. Our model outperforms state-of-the-art models such as Fourier neural operators (FNO) and provides reliable predictions for both short and long-term forecasts. We further analyse the capability of the model to capture extreme events and generate forecasts in urban cities in India. Interestingly, we observe that the model predicts the next hour CO concentrations with R2 values greater than 0.95 for all the cities considered. The deployment of such a model can greatly assist the governing bodies to provide early warning, plan intervention strategies, and develop effective strategies by considering several what-if scenarios. Altogether, the present approach could provide a fillip to real-time predictions of CO pollution in urban cities.
Learning to generate feasible graphs using graph grammars
Authors: Stefan Mautner, Rolf Backofen, Fabrizio Costa
Date: 2025-01-10 00:00:00

Generative methods for graphs need to be sufficiently flexible to model complex dependencies between sets of nodes. At the same time, the generated graphs need to satisfy domain-dependent feasibility conditions, that is, they should not violate certain constraints that would make their interpretation impossible within the given application domain (e.g. a molecular graph where an atom has a very large number of chemical bounds). Crucially, constraints can involve not only local but also long-range dependencies: for example, the maximal length of a cycle can be bounded. Currently, a large class of generative approaches for graphs, such as methods based on artificial neural networks, is based on message passing schemes. These approaches suffer from information 'dilution' issues that severely limit the maximal range of the dependencies that can be modeled. To address this problem, we propose a generative approach based on the notion of graph grammars. The key novel idea is to introduce a domain-dependent coarsening procedure to provide short-cuts for long-range dependencies. We show the effectiveness of our proposal in two domains: 1) small drugs and 2) RNA secondary structures. In the first case, we compare the quality of the generated molecular graphs via the Molecular Sets (MOSES) benchmark suite, which evaluates the distance between generated and real molecules, their lipophilicity, synthesizability, and drug-likeness. In the second case, we show that the approach can generate very large graphs (with hundreds of nodes) that are accepted as valid examples for a desired RNA family by the "Infernal" covariance model, a state-of-the-art RNA classifier. Our implementation is available on github: github.com/fabriziocosta/GraphLearn
DeltaGNN: Graph Neural Network with Information Flow Control
Authors: Kevin Mancini, Islem Rekik
Date: 2025-01-10 00:00:00
Tasks: Graph Neural Network, Node Classification

Graph Neural Networks (GNNs) are popular deep learning models designed to process graph-structured data through recursive neighborhood aggregations in the message passing process. When applied to semi-supervised node classification, the message-passing enables GNNs to understand short-range spatial interactions, but also causes them to suffer from over-smoothing and over-squashing. These challenges hinder model expressiveness and prevent the use of deeper models to capture long-range node interactions (LRIs) within the graph. Popular solutions for LRIs detection are either too expensive to process large graphs due to high time complexity or fail to generalize across diverse graph structures. To address these limitations, we propose a mechanism called \emph{information flow control}, which leverages a novel connectivity measure, called \emph{information flow score}, to address over-smoothing and over-squashing with linear computational overhead, supported by theoretical evidence. Finally, to prove the efficacy of our methodology we design DeltaGNN, the first scalable and generalizable approach for detecting long-range and short-range interactions. We benchmark our model across 10 real-world datasets, including graphs with varying sizes, topologies, densities, and homophilic ratios, showing superior performance with limited computational complexity. The implementation of the proposed methods are publicly available at https://github.com/basiralab/DeltaGNN.
Comparing Self-Supervised Learning Models Pre-Trained on Human Speech and Animal Vocalizations for Bioacoustics Processing
Authors: Eklavya Sarkar, Mathew Magimai. -Doss
Date: 2025-01-10 00:00:00
Tasks: Automatic Speech Recognition, Automatic Speech Recognition (ASR), Self-Supervised Learning, speech-recognition, Speech Recognition

Self-supervised learning (SSL) foundation models have emerged as powerful, domain-agnostic, general-purpose feature extractors applicable to a wide range of tasks. Such models pre-trained on human speech have demonstrated high transferability for bioacoustic processing. This paper investigates (i) whether SSL models pre-trained directly on animal vocalizations offer a significant advantage over those pre-trained on speech, and (ii) whether fine-tuning speech-pretrained models on automatic speech recognition (ASR) tasks can enhance bioacoustic classification. We conduct a comparative analysis using three diverse bioacoustic datasets and two different bioacoustic tasks. Results indicate that pre-training on bioacoustic data provides only marginal improvements over speech-pretrained models, with comparable performance in most scenarios. Fine-tuning on ASR tasks yields mixed outcomes, suggesting that the general-purpose representations learned during SSL pre-training are already well-suited for bioacoustic tasks. These findings highlight the robustness of speech-pretrained SSL models for bioacoustics and imply that extensive fine-tuning may not be necessary for optimal performance.
Deep Variational Sequential Monte Carlo for High-Dimensional Observations
Authors: Wessel L. van Nierop, Nir Shlezinger, Ruud J. G. van Sloun
Date: 2025-01-10 00:00:00

Sequential Monte Carlo (SMC), or particle filtering, is widely used in nonlinear state-space systems, but its performance often suffers from poorly approximated proposal and state-transition distributions. This work introduces a differentiable particle filter that leverages the unsupervised variational SMC objective to parameterize the proposal and transition distributions with a neural network, designed to learn from high-dimensional observations. Experimental results demonstrate that our approach outperforms established baselines in tracking the challenging Lorenz attractor from high-dimensional and partial observations. Furthermore, an evidence lower bound based evaluation indicates that our method offers a more accurate representation of the posterior distribution.
A Brain Age Residual Biomarker (BARB): Leveraging MRI-Based Models to Detect Latent Health Conditions in U.S. Veterans
Authors: Arthur Bousquet, Sugata Banerji, Mark F. Conneely, Shahrzad Jamshidi
Date: 2025-01-10 00:00:00

Age prediction using brain imaging, such as MRIs, has achieved promising results, with several studies identifying the model's residual as a potential biomarker for chronic disease states. In this study, we developed a brain age predictive model using a dataset of 1,220 U.S. veterans (18--80 years) and convolutional neural networks (CNNs) trained on two-dimensional slices of axial T2-weighted fast spin-echo and T2-weighted fluid attenuated inversion recovery MRI images. The model, incorporating a degree-3 polynomial ensemble, achieved an $R^{2}$ of 0.816 on the testing set. Images were acquired at the level of the anterior commissure and the frontal horns of the lateral ventricles. Residual analysis was performed to assess its potential as a biomarker for five ICD-coded conditions: hypertension (HTN), diabetes mellitus (DM), mild traumatic brain injury (mTBI), illicit substance abuse/dependence (SAD), and alcohol abuse/dependence (AAD). Residuals grouped by the number of ICD-coded conditions demonstrated different trends that were statistically significant ($p = 0.002$), suggesting a relationship between disease states and predicted brain age. This association was particularly pronounced in patients over 49 years, where negative residuals (indicating advanced brain aging) correlated with the presence of multiple ICD codes. These findings support the potential of residuals as biomarkers for detecting latent health conditions.
Towards Early Prediction of Self-Supervised Speech Model Performance
Authors: Ryan Whetten, Lucas Maison, Titouan Parcollet, Marco Dinarelli, Yannick Estève
Date: 2025-01-10 00:00:00
Tasks: GPU, Self-Supervised Learning

In Self-Supervised Learning (SSL), pre-training and evaluation are resource intensive. In the speech domain, current indicators of the quality of SSL models during pre-training, such as the loss, do not correlate well with downstream performance. Consequently, it is often difficult to gauge the final downstream performance in a cost efficient manner during pre-training. In this work, we propose unsupervised efficient methods that give insights into the quality of the pre-training of SSL speech models, namely, measuring the cluster quality and rank of the embeddings of the SSL model. Results show that measures of cluster quality and rank correlate better with downstream performance than the pre-training loss with only one hour of unlabeled audio, reducing the need for GPU hours and labeled data in SSL model evaluation.
Model Inversion in Split Learning for Personalized LLMs: New Insights from Information Bottleneck Theory
Authors: Yunmeng Shu, Shaofeng Li, Tian Dong, Yan Meng, Haojin Zhu
Date: 2025-01-10 00:00:00

Personalized Large Language Models (LLMs) have become increasingly prevalent, showcasing the impressive capabilities of models like GPT-4. This trend has also catalyzed extensive research on deploying LLMs on mobile devices. Feasible approaches for such edge-cloud deployment include using split learning. However, previous research has largely overlooked the privacy leakage associated with intermediate representations transmitted from devices to servers. This work is the first to identify model inversion attacks in the split learning framework for LLMs, emphasizing the necessity of secure defense. For the first time, we introduce mutual information entropy to understand the information propagation of Transformer-based LLMs and assess privacy attack performance for LLM blocks. To address the issue of representations being sparser and containing less information than embeddings, we propose a two-stage attack system in which the first part projects representations into the embedding space, and the second part uses a generative model to recover text from these embeddings. This design breaks down the complexity and achieves attack scores of 38%-75% in various scenarios, with an over 60% improvement over the SOTA. This work comprehensively highlights the potential privacy risks during the deployment of personalized LLMs on the edge side.