DISTAL: Distillation and Self-Supervised Pretraining for Structure-Agnostic Materials Property Prediction

Materials property prediction remains difficult in low-data settings, where many target properties are supported by only a limited number of labeled samples. Models with the strongest predictive accuracy often depend on crystal structures, which restricts their use in early-stage screening when structural information is limited or unavailable. To address this challenge, we propose DISTAL, a dual-prior framework for structure-agnostic materials property prediction that combines self-supervised compositional pretraining with structure-aware knowledge distillation. DISTAL first learns transferable compositional representations from a large virtual composition space using 145 composition-derived descriptors. It then distills structural knowledge from a pretrained ALIGNN teacher into a composition-conditioned student. This setting allows structural priors to be used during training without requiring structural inputs at inference. By integrating explicit compositional descriptors, pretrained latent features, and distilled structural features within a unified prediction pipeline, DISTAL captures complementary signals that are difficult to recover from any single representation alone. Across 39 benchmark tasks, the best-performing multimodal configuration combines all three signals, and improves over the reference benchmark on 37 tasks. DISTAL achieves the strongest overall performance among all evaluated feature combinations. These results indicate that compositional pretraining and structural distillation provide complementary priors and offer a practical route to robust composition-only prediction in small-data materials informatics. The source code and the pre-trained models are anonymously available at: https://osf.io/eq96d/overview?view_only=451617f42f7849e08750bd1852b48980 and will be released at the official link after acceptance.

ED-DiT: Physics-Guided Diffusion Pretraining for Transferable Molecular Representations from Electron Density

Pretraining has shown strong potential for learning transferable representations, yet it remains underexplored for electron-density-based molecular learning. Electron density provides a continuous three-dimensional description of molecular electronic structure, capturing both local spatial patterns and global physical quantities. This raises a key question: can electron-density fields be used for self-supervised pretraining to learn a shared representation that transfers across diverse electronic-structure-related tasks? We propose ED-DiT, a physics-guided Diffusion Transformer for self-supervised pretraining on electron-density point clouds. ED-DiT learns reusable representations by reconstructing corrupted and partially masked log-density fields across diffusion noise levels. An electron-number consistency constraint is further introduced to preserve the total electronic mass. The pretrained encoder can be adapted to property prediction, open-/closed-shell classification, molecule-electron-density retrieval, and molecule-conditioned electron-density prediction. Experiments on six EDBench tasks show that ED-DiT consistently outperforms the same architecture trained from scratch, especially under limited supervision. For molecule-conditioned electron-density prediction, it reduces RMSE from 2.2474 to 1.3753 and surpasses the available baseline. With only 10% labels, it improves orbital energy prediction RMSE from 0.0293 to 0.0138. These results demonstrate the effectiveness of physics-guided electron-density pretraining for learning transferable molecular representations.

On the Effectiveness of Pretraining for Graph Combinatorial Optimization

This paper introduces a self-supervised pretraining framework for graph combinatorial optimization specifically designed to address the nature of routing problems like the Traveling Salesman Problem. By utilizing graph contrastive learning with geometric augmentations (specifically, rotations and axial reflections) the model is forced to learn invariant structural representations and global relative distance distributions. Results demonstrate that this pretraining strategy outperforms non-pretrained models across various problem scales. Notably, the hybrid strategy (combining rotation and reflection) achieved a 6.57% improvement in tour length for TSP1000, proving that geometric pretraining is an important inductive bias for effectively scaling neural solvers to high-dimensional instances.

CoCoT-EEG: Contrastive-Pretrained Multiscale Convolutional Transformer for EEG Decoding

Self-supervised pretrained foundation models (FM) have shown early promise for non-invasive electroencephalogram (EEG) decoding applications. Many recent large-scale models converged on the approach of tokenizing raw EEG followed by masked reconstruction pretraining. However, this recipe has been shown to be suboptimal for data, like EEG, with high noise amplitude and information confined to limited dimensions such as narrow frequency bands. Building on this insight, we develop a novel contrastive-pretrained EEG model with multiscale temporal convolution input layers and Transformer encoder blocks (CoCoT). CoCoT matches or beats state-of-the-art reconstruction-pretrained EEG models on extensive benchmark decoding tasks with heterogeneous electrode configurations. Furthermore, CoCoT trained from scratch outperforms previous single-task decoding models and even rivals pretrained models, showcasing the architecture's flexibility and data efficiency. Through systematic ablations, including model architecture and pretraining objective, we demonstrate the viability of contrastive learning for building EEG FMs while suggesting key architectural design considerations, prompting further investigations in alternative large-scale pretraining strategies.

XRFormer: Multiscale Tokenization for XRF Representation Learning

X-ray fluorescence (XRF) spectroscopy is a key modality for material analysis in cultural heritage. However, automated learning from XRF spectra remains challenging: XRF spectra are complex one-dimensional signals composed of sharp elemental peaks, broader structures, and background variations that are not taken into account by existing learning-based models. This paper introduces XRFormer, a transformer architecture tailored to XRF spectra through a multiscale convolutional tokenizer that injects locality and multi-resolution inductive biases before global self-attention. The tokenizer progressively reduces spectral resolution while increasing embedding dimensionality, and the resulting token sequence is processed by a standard transformer encoder. We further investigate self-supervised pretraining for XRF representation learning using Masked Spectral modeling (MSM) and a physics-informed Peak Presence Prediction (PPP) objective. Experiments on the Pigments Checker STANDARD v.5 dataset for pigment identification and unmixing show that XRFormer consistently outperforms ViT, SpectralFormer (with and without CAF), and a 1D-CNN baseline for pigment identification. For pigment unmixing, XRFormer achieves robust abundance estimation while maintaining significantly higher parameter efficiency than SpectralFormer, operating at a lower token resolution (128 vs. 512 tokens) and with less than half the number of parameters (1.5M vs. 3.37M). MSM yields consistent gains across both tasks, while PPP further enhances performance for both identification and unmixing when tuned with an appropriate peak prominence. These results highlight multiscale, modality-aware tokenization as an effective and parameter efficient foundation for transformer-based XRF modeling under data-limited conditions. A GitHub repository is provided at https://github.com/sofiane1010/XRFormer.

CRISP: A Spatiotemporal Camera-Radar Backbone for Driving via Forecasting-Based World-Model Pretraining

Camera-radar (CR) fusion is a practical sensing configuration for autonomous driving, but existing models are typically trained with task-specific supervision, limiting reusable representation learning. We present CRISP, a spatiotemporal CR backbone pretrained through forecasting-based representation learning. Given historical multi-view images and radar sweeps, CRISP learns a unified bird's-eye-view (BEV) representation by predicting future LiDAR point clouds. LiDAR is used only as privileged supervision during pretraining; the deployed model requires only camera and radar. To make forecasting-based pretraining effective for CR fusion, CRISP introduces an enhanced radar encoder, radar-enhanced temporal self-attention, and multimodal feature rendering with modality innovation gating. These components inject radar range and Doppler cues into BEV temporal propagation and allow BEV tokens to selectively incorporate camera and radar evidence. Experiments on nuScenes show that CRISP improves long-horizon point cloud forecasting and transfers effectively to downstream tasks, including 3D detection, tracking, online mapping, motion forecasting, future occupancy prediction, and planning, suggesting that predictive CR pretraining is a promising path toward scalable driving representations under practical sensor configurations. The project website is https://umfieldrobotics.github.io/CRISP.

Cross-Subject Modeling for Widefield Calcium Imaging via Atlas-Aligned Spatiotemporal Tokenization

Large-scale, multi-subject widefield calcium imaging provides unprecedented access to brain-wide cortical dynamics. However, the high dimensionality, complex spatiotemporal structure, and substantial task-irrelevant activity in widefield recordings have largely restricted modeling efforts to single-session analyses, limiting scalability and generalization. While multi-subject pretrained models have been explored for some neural modalities, multi-subject models for widefield calcium imaging have not yet been demonstrated; further, subject-invariant zero-shot behavior decoding remains elusive for multi-subject models across neural modalities more broadly. As a first step toward foundation modeling of widefield data, we introduce WiCAT, a multi-subject model that leverages self-supervised pretraining to both outperform single-session models and enable zero-shot behavior decoding on unseen subjects. WiCAT introduces an atlas-grounded tokenization scheme without session-specific components and learns globally shared spatiotemporal representations. Across multiple widefield datasets, the pretrained model supports lightweight downstream decoding, transfers across subjects, tasks, and datasets, and outperforms baseline models. Notably, the model also achieves robust zero-shot continuous behavior decoding and left-out brain region reconstruction on unseen subjects.

A Physics-Informed Fourier-Wavelet Transformer for Multiscale Computational Fluid Dynamics Surrogate Modeling

Physics-informed surrogate models can accelerate computational fluid dynamics simulations. However, many existing methods reproduce global flow patterns more reliably than localized multiscale structures. This study presents a physics-informed Fourier-wavelet transformer for next-step velocity-field reconstruction in real-world flow benchmarks. The proposed formulation combines hybrid Fourier-wavelet spectral encoding with physics-biased self-attention based on partial differential equation residual diagnostics. It also uses self-supervised pretraining through Masked Physics Prediction and Equation Consistency Prediction. The experiments are conducted on two real benchmark cases: cylinder-wake flow and fluid-structure interaction. All approaches are evaluated under a shared local protocol and compared with spectral, transformer-based, operator-learning, and physics-informed neural-network baselines. On the cylinder-wake benchmark, the proposed model achieves the best aggregate accuracy, with an all-channel normalized mean-squared error of 0.05875 and an all-channel Pearson correlation coefficient of 0.97019. On the fluid-structure-interaction benchmark, it gives the lowest all-channel normalized mean-squared error of $2.70 \times 10^{-4}$, compared with $4.02 \times 10^{-4}$ for the strongest baseline. Component-wise field comparisons and scale-separated diagnostics further show stronger recovery of localized wake structures, including near-body, wake-core, and far-wake features. The results demonstrate improved real-world flow reconstruction while maintaining a practical accuracy-cost tradeoff.

3D Classification of Paramagnetic Rim Lesions in Multiple Sclerosis via Asymmetric QSM-FLAIR Modeling

Paramagnetic rim lesions (Rim$^+$) identified on susceptibility-sensitive MRI have recently emerged as a specific biomarker of chronic active inflammation in Multiple Sclerosis (MS) and are associated with long-term disability progression. However, susceptibility imaging and expert interpretation remain limited to specialized centers, visual assessment is time-consuming and variable, and the low prevalence of Rim$^+$ lesions poses severe class imbalance challenges for automated analysis. We propose a 3D multimodal deep learning framework for lesion-level Rim$^+$/Rim$^-$ classification from Quantitative Susceptibility Mapping (QSM) and FLAIR MRI. The architecture explicitly models modality asymmetry by treating QSM as the primary susceptibility-driven signal and conditioning it with FLAIR-derived structural context. To improve robustness under limited data, we employ self-supervised multimodal pretraining followed by supervised fine-tuning with contrastive regularization. The method was evaluated on a clinically acquired cohort of 88 people with MS with expert lesion annotations as reference standard. Results highlight improved performance compared to prior architectures, supporting the effectiveness of asymmetric multimodal modeling for automated chronic active lesion identification.

Visual Quality Score Assessment of Large White Goods in Remanufacture with Multi-View Deformable-DETR

Remanufacturing large white goods is essential for a circular economy, yet visual quality assessment remains a manual bottleneck for training and pricing. Conventional detection methods require extensive annotation and struggle with small defects in high-resolution multi-view data. We present a multi-view framework based on Deformable-DETR for automated quality scoring that aggregates information across redundant views to extract fine-grained features. To enhance robustness with limited labels, we employ self-supervised pretraining followed by supervised fine-tuning on expert-annotated scores. Additionally, a linear projection over frozen feature maps identifies regions of interest to explain model decisions. Evaluated on an industrial multi-view dataset, our approach delivers precise quality assessments while reducing reliance on manual annotation and per-part customization, enabling scalable and transparent inspection for remanufacturing lines.

Noise2Map: End-to-End Diffusion Model for Semantic Segmentation and Change Detection

Semantic segmentation and change detection are two fundamental challenges in remote sensing, requiring models to capture either spatial semantics or temporal differences from satellite imagery. Existing deep learning models often struggle with temporal inconsistencies or in capturing fine-grained spatial structures, require extensive pretraining, and offer limited interpretability - especially in real-world remote sensing scenarios. Recent advances in diffusion models show that Gaussian noise can be systematically leveraged to learn expressive data representations through denoising. Motivated by this, we investigate whether the noise process in diffusion models can be effectively utilized for discriminative tasks. We propose Noise2Map, a unified diffusion-based framework that repurposes the denoising process for fast, end-to-end discriminative learning. Unlike prior work that uses diffusion only for generation or feature extraction, Noise2Map directly predicts semantic or change maps using task-specific noise schedules and timestep conditioning, avoiding the costly sampling procedures of traditional diffusion models. The model is pretrained via self-supervised denoising and fine-tuned with supervision, enabling both interpretability and robustness. Our architecture supports both tasks (SS and CD) through a shared backbone and task-specific noise schedulers. Extensive evaluations on the SpaceNet7, WHU, and xView2 buildings damaged by wildfires datasets demonstrate that Noise2Map ranks on average 1st among seven models on semantic segmentation and 1st on change detection by a cross-dataset rank metric (average F1 primary, IoU tie-break). Ablation studies highlight the robustness of our model against different training noise schedulers and timestep control in the diffusion process, as well as the ability of the model to perform multi-task learning.

CLLAP: Contrastive Learning-based LiDAR-Augmented Pretraining for Enhanced Radar-Camera Fusion

Accurate 3D object detection is critical for autonomous driving, necessitating reliable, cost-effective sensors capable of operating in adverse weather conditions. Camera and millimeter-wave radar fusion has emerged as a promising solution; however, these methods often rely on finely annotated radar data, which is scarce and labor-intensive to produce. To address this challenge, we present CLLAP, a Contrastive Learning-based LiDAR-Augmented Pretraining framework that enhances the performance of existing radar-camera fusion methods for 3D object detection. CLLAP leverages abundant LiDAR data to generate pseudo-radar data using the proposed L2R (LiDAR-to-Radar) Sampling method. Then, it incorporates this data into a novel dual-stage, dual-modality contrastive learning strategy, enabling effective self-supervised learning from paired pseudo-radar and image data. This approach facilitates effective pretraining of existing radar-camera fusion models in a plug-and-play manner, enhancing their feature extraction capabilities and improving detection accuracy and robustness. Experimental results using NuScenes and Lyft Level 5 datasets demonstrate significant performance improvements across three baseline models, highlighting CLLAP's effectiveness in advancing radar-camera fusion for autonomous driving applications.