A Model Zoo on Phase Transitions in Neural Networks

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

Dense Air Pollution Estimation from Sparse in-situ Measurements and Satellite Data

This paper addresses the critical environmental challenge of estimating ambient Nitrogen Dioxide (NO$_2$) concentrations, a key issue in public health and environmental policy. Existing methods for satellite-based air pollution estimation model the relationship between satellite and in-situ measurements at select point locations. While these approaches have advanced our ability to provide air quality estimations on a global scale, they come with inherent limitations. The most notable limitation is the computational intensity required for generating comprehensive estimates over extensive areas. Motivated by these limitations, this study introduces a novel dense estimation technique. Our approach seeks to balance the accuracy of high-resolution estimates with the practicality of computational constraints, thereby enabling efficient and scalable global environmental assessment. By utilizing a uniformly random offset sampling strategy, our method disperses the ground truth data pixel location evenly across a larger patch. At inference, the dense estimation method can then generate a grid of estimates in a single step, significantly reducing the computational resources required to provide estimates for larger areas. Notably, our approach also surpasses the results of existing point-wise methods by a significant margin of $9.45\%$, achieving a Mean Absolute Error (MAE) of $4.98\ \mu\text{g}/\text{m}^3$. This demonstrates both high accuracy and computational efficiency, highlighting the applicability of our method for global environmental assessment. Furthermore, we showcase the method's adaptability and robustness by applying it to diverse geographic regions. Our method offers a viable solution to the computational challenges of large-scale environmental monitoring.

Hyperspectral Vision Transformers for Greenhouse Gas Estimations from Space

Hyperspectral imaging provides detailed spectral information and holds significant potential for monitoring of greenhouse gases (GHGs). However, its application is constrained by limited spatial coverage and infrequent revisit times. In contrast, multispectral imaging offers broader spatial and temporal coverage but often lacks the spectral detail that can enhance GHG detection. To address these challenges, this study proposes a spectral transformer model that synthesizes hyperspectral data from multispectral inputs. The model is pre-trained via a band-wise masked autoencoder and subsequently fine-tuned on spatio-temporally aligned multispectral-hyperspectral image pairs. The resulting synthetic hyperspectral data retain the spatial and temporal benefits of multispectral imagery and improve GHG prediction accuracy relative to using multispectral data alone. This approach effectively bridges the trade-off between spectral resolution and coverage, highlighting its potential to advance atmospheric monitoring by combining the strengths of hyperspectral and multispectral systems with self-supervised deep learning.

SAR-to-RGB Translation with Latent Diffusion for Earth Observation

Earth observation satellites like Sentinel-1 (S1) and Sentinel-2 (S2) provide complementary remote sensing (RS) data, but S2 images are often unavailable due to cloud cover or data gaps. To address this, we propose a diffusion model (DM)-based approach for SAR-to-RGB translation, generating synthetic optical images from SAR inputs. We explore three different setups: two using Standard Diffusion, which reconstruct S2 images by adding and removing noise (one without and one with class conditioning), and one using Cold Diffusion, which blends S2 with S1 before removing the SAR signal. We evaluate the generated images in downstream tasks, including land cover classification and cloud removal. While generated images may not perfectly replicate real S2 data, they still provide valuable information. Our results show that class conditioning improves classification accuracy, while cloud removal performance remains competitive despite our approach not being optimized for it. Interestingly, despite exhibiting lower perceptual quality, the Cold Diffusion setup performs well in land cover classification, suggesting that traditional quantitative evaluation metrics may not fully reflect the practical utility of generated images. Our findings highlight the potential of DMs for SAR-to-RGB translation in RS applications where RGB images are missing.

A Model Zoo of Vision Transformers

The availability of large, structured populations of neural networks - called 'model zoos' - has led to the development of a multitude of downstream tasks ranging from model analysis, to representation learning on model weights or generative modeling of neural network parameters. However, existing model zoos are limited in size and architecture and neglect the transformer, which is among the currently most successful neural network architectures. We address this gap by introducing the first model zoo of vision transformers (ViT). To better represent recent training approaches, we develop a new blueprint for model zoo generation that encompasses both pre-training and fine-tuning steps, and publish 250 unique models. They are carefully generated with a large span of generating factors, and their diversity is validated using a thorough choice of weight-space and behavioral metrics. To further motivate the utility of our proposed dataset, we suggest multiple possible applications grounded in both extensive exploratory experiments and a number of examples from the existing literature. By extending previous lines of similar work, our model zoo allows researchers to push their model population-based methods from the small model regime to state-of-the-art architectures. We make our model zoo available at github.com/ModelZoos/ViTModelZoo.

The Impact of Model Zoo Size and Composition on Weight Space Learning

Re-using trained neural network models is a common strategy to reduce training cost and transfer knowledge. Weight space learning - using the weights of trained models as data modality - is a promising new field to re-use populations of pre-trained models for future tasks. Approaches in this field have demonstrated high performance both on model analysis and weight generation tasks. However, until now their learning setup requires homogeneous model zoos where all models share the same exact architecture, limiting their capability to generalize beyond the population of models they saw during training. In this work, we remove this constraint and propose a modification to a common weight space learning method to accommodate training on heterogeneous populations of models. We further investigate the resulting impact of model diversity on generating unseen neural network model weights for zero-shot knowledge transfer. Our extensive experimental evaluation shows that including models with varying underlying image datasets has a high impact on performance and generalization, for both in- and out-of-distribution settings. Code is available on github.com/HSG-AIML/MultiZoo-SANE.

Structure Is Not Enough: Leveraging Behavior for Neural Network Weight Reconstruction

The weights of neural networks (NNs) have recently gained prominence as a new data modality in machine learning, with applications ranging from accuracy and hyperparameter prediction to representation learning or weight generation. One approach to leverage NN weights involves training autoencoders (AEs), using contrastive and reconstruction losses. This allows such models to be applied to a wide variety of downstream tasks, and they demonstrate strong predictive performance and low reconstruction error. However, despite the low reconstruction error, these AEs reconstruct NN models with deteriorated performance compared to the original ones, limiting their usability with regard to model weight generation. In this paper, we identify a limitation of weight-space AEs, specifically highlighting that a structural loss, that uses the Euclidean distance between original and reconstructed weights, fails to capture some features critical for reconstructing high-performing models. We analyze the addition of a behavioral loss for training AEs in weight space, where we compare the output of the reconstructed model with that of the original one, given some common input. We show a strong synergy between structural and behavioral signals, leading to increased performance in all downstream tasks evaluated, in particular NN weights reconstruction and generation.

Differentially Private Federated Learning of Diffusion Models for Synthetic Tabular Data Generation

The increasing demand for privacy-preserving data analytics in finance necessitates solutions for synthetic data generation that rigorously uphold privacy standards. We introduce DP-Fed-FinDiff framework, a novel integration of Differential Privacy, Federated Learning and Denoising Diffusion Probabilistic Models designed to generate high-fidelity synthetic tabular data. This framework ensures compliance with stringent privacy regulations while maintaining data utility. We demonstrate the effectiveness of DP-Fed-FinDiff on multiple real-world financial datasets, achieving significant improvements in privacy guarantees without compromising data quality. Our empirical evaluations reveal the optimal trade-offs between privacy budgets, client configurations, and federated optimization strategies. The results affirm the potential of DP-Fed-FinDiff to enable secure data sharing and robust analytics in highly regulated domains, paving the way for further advances in federated learning and privacy-preserving data synthesis.

GraphGuard: Contrastive Self-Supervised Learning for Credit-Card Fraud Detection in Multi-Relational Dynamic Graphs

Credit card fraud has significant implications at both an individual and societal level, making effective prevention essential. Current methods rely heavily on feature engineering and labeled information, both of which have significant limitations. In this work, we present GraphGuard, a novel contrastive self-supervised graph-based framework for detecting fraudulent credit card transactions. We conduct experiments on a real-world dataset and a synthetic dataset. Our results provide a promising initial direction for exploring the effectiveness of graph-based self-supervised approaches for credit card fraud detection.

Towards Scalable and Versatile Weight Space Learning

Learning representations of well-trained neural network models holds the promise to provide an understanding of the inner workings of those models. However, previous work has either faced limitations when processing larger networks or was task-specific to either discriminative or generative tasks. This paper introduces the SANE approach to weight-space learning. SANE overcomes previous limitations by learning task-agnostic representations of neural networks that are scalable to larger models of varying architectures and that show capabilities beyond a single task. Our method extends the idea of hyper-representations towards sequential processing of subsets of neural network weights, thus allowing one to embed larger neural networks as a set of tokens into the learned representation space. SANE reveals global model information from layer-wise embeddings, and it can sequentially generate unseen neural network models, which was unattainable with previous hyper-representation learning methods. Extensive empirical evaluation demonstrates that SANE matches or exceeds state-of-the-art performance on several weight representation learning benchmarks, particularly in initialization for new tasks and larger ResNet architectures.