Equi-Euler GraphNet: An Equivariant, Temporal-Dynamics Informed Graph Neural Network for Dual Force and Trajectory Prediction in Multi-Body Systems

Accurate real-time modeling of multi-body dynamical systems is essential for enabling digital twin applications across industries. While many data-driven approaches aim to learn system dynamics, jointly predicting internal loads and system trajectories remains a key challenge. This dual prediction is especially important for fault detection and predictive maintenance, where internal loads-such as contact forces-act as early indicators of faults, reflecting wear or misalignment before affecting motion. These forces also serve as inputs to degradation models (e.g., crack growth), enabling damage prediction and remaining useful life estimation. We propose Equi-Euler GraphNet, a physics-informed graph neural network (GNN) that simultaneously predicts internal forces and global trajectories in multi-body systems. In this mesh-free framework, nodes represent system components and edges encode interactions. Equi-Euler GraphNet introduces two inductive biases: (1) an equivariant message-passing scheme, interpreting edge messages as interaction forces consistent under Euclidean transformations; and (2) a temporal-aware iterative node update mechanism, based on Euler integration, to capture influence of distant interactions over time. Tailored for cylindrical roller bearings, it decouples ring dynamics from constrained motion of rolling elements. Trained on high-fidelity multiphysics simulations, Equi-Euler GraphNet generalizes beyond the training distribution, accurately predicting loads and trajectories under unseen speeds, loads, and configurations. It outperforms state-of-the-art GNNs focused on trajectory prediction, delivering stable rollouts over thousands of time steps with minimal error accumulation. Achieving up to a 200x speedup over conventional solvers while maintaining comparable accuracy, it serves as an efficient reduced-order model for digital twins, design, and maintenance.

Thermoxels: a voxel-based method to generate simulation-ready 3D thermal models

In the European Union, buildings account for 42% of energy use and 35% of greenhouse gas emissions. Since most existing buildings will still be in use by 2050, retrofitting is crucial for emissions reduction. However, current building assessment methods rely mainly on qualitative thermal imaging, which limits data-driven decisions for energy savings. On the other hand, quantitative assessments using finite element analysis (FEA) offer precise insights but require manual CAD design, which is tedious and error-prone. Recent advances in 3D reconstruction, such as Neural Radiance Fields (NeRF) and Gaussian Splatting, enable precise 3D modeling from sparse images but lack clearly defined volumes and the interfaces between them needed for FEA. We propose Thermoxels, a novel voxel-based method able to generate FEA-compatible models, including both geometry and temperature, from a sparse set of RGB and thermal images. Using pairs of RGB and thermal images as input, Thermoxels represents a scene's geometry as a set of voxels comprising color and temperature information. After optimization, a simple process is used to transform Thermoxels' models into tetrahedral meshes compatible with FEA. We demonstrate Thermoxels' capability to generate RGB+Thermal meshes of 3D scenes, surpassing other state-of-the-art methods. To showcase the practical applications of Thermoxels' models, we conduct a simple heat conduction simulation using FEA, achieving convergence from an initial state defined by Thermoxels' thermal reconstruction. Additionally, we compare Thermoxels' image synthesis abilities with current state-of-the-art methods, showing competitive results, and discuss the limitations of existing metrics in assessing mesh quality.

Automated Processing of eXplainable Artificial Intelligence Outputs in Deep Learning Models for Fault Diagnostics of Large Infrastructures

Deep Learning (DL) models processing images to recognize the health state of large infrastructure components can exhibit biases and rely on non-causal shortcuts. eXplainable Artificial Intelligence (XAI) can address these issues but manually analyzing explanations generated by XAI techniques is time-consuming and prone to errors. This work proposes a novel framework that combines post-hoc explanations with semi-supervised learning to automatically identify anomalous explanations that deviate from those of correctly classified images and may therefore indicate model abnormal behaviors. This significantly reduces the workload for maintenance decision-makers, who only need to manually reclassify images flagged as having anomalous explanations. The proposed framework is applied to drone-collected images of insulator shells for power grid infrastructure monitoring, considering two different Convolutional Neural Networks (CNNs), GradCAM explanations and Deep Semi-Supervised Anomaly Detection. The average classification accuracy on two faulty classes is improved by 8% and maintenance operators are required to manually reclassify only 15% of the images. We compare the proposed framework with a state-of-the-art approach based on the faithfulness metric: the experimental results obtained demonstrate that the proposed framework consistently achieves F_1 scores larger than those of the faithfulness-based approach. Additionally, the proposed framework successfully identifies correct classifications that result from non-causal shortcuts, such as the presence of ID tags printed on insulator shells.

Interactive Symbolic Regression through Offline Reinforcement Learning: A Co-Design Framework

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online search methods and pre-trained transformer models. Additionally, current state-of-the-art approaches typically do not consider the integration of domain experts' prior knowledge and do not support iterative interactions with the model during the equation discovery process. To address these challenges, we propose the Symbolic Q-network (Sym-Q), an advanced interactive framework for large-scale symbolic regression. Unlike previous large-scale transformer-based SR approaches, Sym-Q leverages reinforcement learning without relying on a transformer-based decoder. This formulation allows the agent to learn through offline reinforcement learning using any type of tree encoder, enabling more efficient training and inference. Furthermore, we propose a co-design mechanism, where the reinforcement learning-based Sym-Q facilitates effective interaction with domain experts at any stage of the equation discovery process. Users can dynamically modify generated nodes of the expression, collaborating with the agent to tailor the mathematical expression to best fit the problem and align with the assumed physical laws, particularly when there is prior partial knowledge of the expected behavior. Our experiments demonstrate that the pre-trained Sym-Q surpasses existing SR algorithms on the challenging SSDNC benchmark. Moreover, we experimentally show on real-world cases that its performance can be further enhanced by the interactive co-design mechanism, with Sym-Q achieving greater performance gains than other state-of-the-art models. Our reproducible code is available at https://github.com/EPFL-IMOS/Sym-Q.

Advances in Multimodal Adaptation and Generalization: From Traditional Approaches to Foundation Models

In real-world scenarios, achieving domain adaptation and generalization poses significant challenges, as models must adapt to or generalize across unknown target distributions. Extending these capabilities to unseen multimodal distributions, i.e., multimodal domain adaptation and generalization, is even more challenging due to the distinct characteristics of different modalities. Significant progress has been made over the years, with applications ranging from action recognition to semantic segmentation. Besides, the recent advent of large-scale pre-trained multimodal foundation models, such as CLIP, has inspired works leveraging these models to enhance adaptation and generalization performances or adapting them to downstream tasks. This survey provides the first comprehensive review of recent advances from traditional approaches to foundation models, covering: (1) Multimodal domain adaptation; (2) Multimodal test-time adaptation; (3) Multimodal domain generalization; (4) Domain adaptation and generalization with the help of multimodal foundation models; and (5) Adaptation of multimodal foundation models. For each topic, we formally define the problem and thoroughly review existing methods. Additionally, we analyze relevant datasets and applications, highlighting open challenges and potential future research directions. We maintain an active repository that contains up-to-date literature at https://github.com/donghao51/Awesome-Multimodal-Adaptation.

DynAlign: Unsupervised Dynamic Taxonomy Alignment for Cross-Domain Segmentation

Current unsupervised domain adaptation (UDA) methods for semantic segmentation typically assume identical class labels between the source and target domains. This assumption ignores the label-level domain gap, which is common in real-world scenarios, thus limiting their ability to identify finer-grained or novel categories without requiring extensive manual annotation. A promising direction to address this limitation lies in recent advancements in foundation models, which exhibit strong generalization abilities due to their rich prior knowledge. However, these models often struggle with domain-specific nuances and underrepresented fine-grained categories. To address these challenges, we introduce DynAlign, a framework that integrates UDA with foundation models to bridge both the image-level and label-level domain gaps. Our approach leverages prior semantic knowledge to align source categories with target categories that can be novel, more fine-grained, or named differently (e.g., vehicle to {car, truck, bus}). Foundation models are then employed for precise segmentation and category reassignment. To further enhance accuracy, we propose a knowledge fusion approach that dynamically adapts to varying scene contexts. DynAlign generates accurate predictions in a new target label space without requiring any manual annotations, allowing seamless adaptation to new taxonomies through either model retraining or direct inference. Experiments on the street scene semantic segmentation benchmarks GTA to Mapillary Vistas and GTA to IDD validate the effectiveness of our approach, achieving a significant improvement over existing methods. Our code will be publicly available.

Towards Robust Multimodal Open-set Test-time Adaptation via Adaptive Entropy-aware Optimization

Test-time adaptation (TTA) has demonstrated significant potential in addressing distribution shifts between training and testing data. Open-set test-time adaptation (OSTTA) aims to adapt a source pre-trained model online to an unlabeled target domain that contains unknown classes. This task becomes more challenging when multiple modalities are involved. Existing methods have primarily focused on unimodal OSTTA, often filtering out low-confidence samples without addressing the complexities of multimodal data. In this work, we present Adaptive Entropy-aware Optimization (AEO), a novel framework specifically designed to tackle Multimodal Open-set Test-time Adaptation (MM-OSTTA) for the first time. Our analysis shows that the entropy difference between known and unknown samples in the target domain strongly correlates with MM-OSTTA performance. To leverage this, we propose two key components: Unknown-aware Adaptive Entropy Optimization (UAE) and Adaptive Modality Prediction Discrepancy Optimization (AMP). These components enhance the ability of model to distinguish unknown class samples during online adaptation by amplifying the entropy difference between known and unknown samples. To thoroughly evaluate our proposed methods in the MM-OSTTA setting, we establish a new benchmark derived from existing datasets. This benchmark includes two downstream tasks and incorporates five modalities. Extensive experiments across various domain shift situations demonstrate the efficacy and versatility of the AEO framework. Additionally, we highlight the strong performance of AEO in long-term and continual MM-OSTTA settings, both of which are challenging and highly relevant to real-world applications. Our source code is available at https://github.com/donghao51/AEO.

NOMTO: Neural Operator-based symbolic Model approximaTion and discOvery

While many physical and engineering processes are most effectively described by non-linear symbolic models, existing non-linear symbolic regression (SR) methods are restricted to a limited set of continuous algebraic functions, thereby limiting their applicability to discover higher order non-linear differential relations. In this work, we introduce the Neural Operator-based symbolic Model approximaTion and discOvery (NOMTO) method, a novel approach to symbolic model discovery that leverages Neural Operators to encompass a broad range of symbolic operations. We demonstrate that NOMTO can successfully identify symbolic expressions containing elementary functions with singularities, special functions, and derivatives. Additionally, our experiments demonstrate that NOMTO can accurately rediscover second-order non-linear partial differential equations. By broadening the set of symbolic operations available for discovery, NOMTO significantly advances the capabilities of existing SR methods. It provides a powerful and flexible tool for model discovery, capable of capturing complex relations in a variety of physical systems.

Dynami-CAL GraphNet: A Physics-Informed Graph Neural Network Conserving Linear and Angular Momentum for Dynamical Systems

Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face scalability challenges and are computationally demanding, while data-driven approaches like Graph Neural Networks (GNNs) often lack physical consistency, interpretability, and generalization. In this paper, we propose Dynami-CAL GraphNet, a Physics-Informed Graph Neural Network that integrates the learning capabilities of GNNs with physics-based inductive biases to address these limitations. Dynami-CAL GraphNet enforces pairwise conservation of linear and angular momentum for interacting nodes using edge-local reference frames that are equivariant to rotational symmetries, invariant to translations, and equivariant to node permutations. This design ensures physically consistent predictions of node dynamics while offering interpretable, edge-wise linear and angular impulses resulting from pairwise interactions. Evaluated on a 3D granular system with inelastic collisions, Dynami-CAL GraphNet demonstrates stable error accumulation over extended rollouts, effective extrapolations to unseen configurations, and robust handling of heterogeneous interactions and external forces. Dynami-CAL GraphNet offers significant advantages in fields requiring accurate, interpretable, and real-time modeling of complex multi-body dynamical systems, such as robotics, aerospace engineering, and materials science. By providing physically consistent and scalable predictions that adhere to fundamental conservation laws, it enables the inference of forces and moments while efficiently handling heterogeneous interactions and external forces.

Domain Adaptive Unfolded Graph Neural Networks

Over the last decade, graph neural networks (GNNs) have made significant progress in numerous graph machine learning tasks. In real-world applications, where domain shifts occur and labels are often unavailable for a new target domain, graph domain adaptation (GDA) approaches have been proposed to facilitate knowledge transfer from the source domain to the target domain. Previous efforts in tackling distribution shifts across domains have mainly focused on aligning the node embedding distributions generated by the GNNs in the source and target domains. However, as the core part of GDA approaches, the impact of the underlying GNN architecture has received limited attention. In this work, we explore this orthogonal direction, i.e., how to facilitate GDA with architectural enhancement. In particular, we consider a class of GNNs that are designed explicitly based on optimization problems, namely unfolded GNNs (UGNNs), whose training process can be represented as bi-level optimization. Empirical and theoretical analyses demonstrate that when transferring from the source domain to the target domain, the lower-level objective value generated by the UGNNs significantly increases, resulting in an increase in the upper-level objective as well. Motivated by this observation, we propose a simple yet effective strategy called cascaded propagation (CP), which is guaranteed to decrease the lower-level objective value. The CP strategy is widely applicable to general UGNNs, and we evaluate its efficacy with three representative UGNN architectures. Extensive experiments on five real-world datasets demonstrate that the UGNNs integrated with CP outperform state-of-the-art GDA baselines.