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Sophie Fellenz

Publications and source records attributed to Sophie Fellenz.

At least 19 recordsLinked to original sources

Physics-Constrained Fine-Tuning of Flow-Matching Models for Generation and Inverse Problems

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a differentiable post-training procedure that minimizes weak-form residuals of governing partial differential equations (PDEs), promoting physical consistency and adherence to boundary conditions without distorting the underlying learned distribution. To infer unknown physical inputs, such as source terms, material parameters, or boundary data, we augment the generative process with a learnable latent parameter predictor and propose a joint optimization strategy. The resulting model produces physically valid field solutions alongside plausible estimates of hidden parameters, effectively addressing ill-posed inverse problems in a data-driven yet physicsaware manner. We validate our method on canonical PDE benchmarks, demonstrating improved satisfaction of PDE constraints and accurate recovery of latent coefficients. Our approach bridges generative modelling and scientific inference, opening new avenues for simulation-augmented discovery and data-efficient modelling of physical systems.

cs.LG

Skipping the Zeros in Diffusion Models for Sparse Data Generation

Diffusion models (DMs) excel on dense continuous data, but are not designed for sparse continuous data. They do not model exact zeros that represent the deliberate absence of a signal. As a result, they erase sparsity patterns and perform unnecessary computation on mostly zero entries. With Sparsity-Exploiting Diffusion (SED), we model only non-zero values, preserving sparsity. SED delivers computational savings while maintaining or improving generation quality by skipping zeros during training and inference. Across physics and biology benchmarks, SED matches or surpasses conventional DMs and domain-specific baselines, while vision experiments provide intuitive insights into the limitations of dense DMs and the benefits of SED.

cs.LG

Population Risk Bounds for Kolmogorov-Arnold Networks Trained by DP-SGD with Correlated Noise

We establish the first population risk bounds for Kolmogorov-Arnold Networks (KANs) trained by mini-batch SGD with gradient clipping, covering non-private SGD as well as differentially private SGD (DP-SGD) with Gaussian perturbations that interpolate between independent and temporally correlated noise. This setting is substantially closer to practice than prior KAN theory along two axes: training is by mini-batch SGD, the standard recipe for modern networks, rather than full-batch gradient descent (GD); and correlated-noise mechanisms have empirically shown a more favorable privacy-utility tradeoff than independent-noise mechanisms. Our results cover the corresponding full-batch GD and independent-noise DP-GD results for KANs by Wang et al. (2026), while yielding sharper fixed-second-layer specializations. The technical core is a new analysis route for correlated-noise DP training in the non-convex regime. Temporal dependence breaks the conditional-centering structure underlying standard one-step SGD arguments, and the projection step obstructs the exact cancellation structure of correlated perturbations. We address these difficulties through an auxiliary unprojected dynamics, a shifted iterate that absorbs the current noise perturbation, and a high-probability bootstrap certifying projection inactivity. Combining this optimization analysis with a stability-based generalization argument yields the stated population risk bounds. To the best of our knowledge, this is the first optimization and population risk analysis of a correlated-noise mechanism for DP training beyond convex learning, in particular for neural networks.

cs.LG

Sparse Data Diffusion for Scientific Simulations in Biology and Physics

Sparse data is fundamental to scientific simulations in biology and physics, from single-cell gene expression to particle calorimetry, where exact zeros encode physical absence rather than weak signal. However, existing diffusion models lack the physical rigor to faithfully represent this sparsity. This work introduces Sparse Data Diffusion (SDD), a generative method that explicitly models exact zeros via Sparsity Bits, unifying efficient ML generation with physically grounded sparsity handling. Empirical validation in particle physics and single-cell biology demonstrates that SDD achieves higher fidelity than baseline methods in capturing sparse patterns critical for scientific analysis, advancing scalable and physically faithful simulation.

cs.LG

Reimagining Anomalies: What If Anomalies Were Normal?

Deep learning-based methods have achieved a breakthrough in image anomaly detection, but their complexity introduces a considerable challenge to understanding why an instance is predicted to be anomalous. We introduce a novel explanation method that generates multiple alternative modifications for each anomaly, capturing diverse concepts of anomalousness. Each modification is trained to be perceived as normal by the anomaly detector. The method provides a semantic explanation of the mechanism that triggered the detector, allowing users to explore ``what-if scenarios.'' Qualitative and quantitative analyses across various image datasets demonstrate that applying this method to state-of-the-art detectors provides high-quality semantic explanations.

cs.CV

Formally Exploring Time-Series Anomaly Detection Evaluation Metrics

Undetected anomalies in time series can trigger catastrophic failures in safety-critical systems, such as chemical plant explosions or power grid outages. Although many detection methods have been proposed, their performance remains unclear because current metrics capture only narrow aspects of the task and often yield misleading results. We address this issue by introducing verifiable properties that formalize essential requirements for evaluating time-series anomaly detection. These properties enable a theoretical framework that supports principled evaluations and reliable comparisons. Analyzing 37 widely used metrics, we show that most satisfy only a few properties, and none satisfy all, explaining persistent inconsistencies in prior results. To close this gap, we propose LARM, a flexible metric that provably satisfies all properties, and extend it to ALARM, an advanced variant meeting stricter requirements.

cs.LG

DiffStyleTS: Diffusion Model for Style Transfer in Time Series

Style transfer combines the content of one signal with the style of another. It supports applications such as data augmentation and scenario simulation, helping machine learning models generalize in data-scarce domains. While well developed in vision and language, style transfer methods for time series data remain limited. We introduce DiffTSST, a diffusion-based framework that disentangles a time series into content and style representations via convolutional encoders and recombines them through a self-supervised attention-based diffusion process. At inference, encoders extract content and style from two distinct series, enabling conditional generation of novel samples to achieve style transfer. We demonstrate both qualitatively and quantitatively that DiffTSST achieves effective style transfer. We further validate its real-world utility by showing that data augmentation with DiffTSST improves anomaly detection in data-scarce regimes.

cs.LG

On the Challenges and Opportunities in Generative AI

The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models exhibit several fundamental shortcomings that hinder their widespread adoption across domains. In this work, our objective is to identify these issues and highlight key unresolved challenges in modern generative AI paradigms that should be addressed to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with insights for exploring fruitful research directions, thus fostering the development of more robust and accessible generative AI solutions.

cs.LG

PIANO: Physics Informed Autoregressive Network

Solving time-dependent partial differential equations (PDEs) is fundamental to modeling critical phenomena across science and engineering. Physics-Informed Neural Networks (PINNs) solve PDEs using deep learning. However, PINNs perform pointwise predictions that neglect the autoregressive property of dynamical systems, leading to instabilities and inaccurate predictions. We introduce Physics-Informed Autoregressive Networks (PIANO) -- a framework that redesigns PINNs to model dynamical systems. PIANO operates autoregressively, explicitly conditioning future predictions on the past. It is trained through a self-supervised rollout mechanism while enforcing physical constraints. We present a rigorous theoretical analysis demonstrating that PINNs suffer from temporal instability, while PIANO achieves stability through autoregressive modeling. Extensive experiments on challenging time-dependent PDEs demonstrate that PIANO achieves state-of-the-art performance, significantly improving accuracy and stability over existing methods. We further show that PIANO outperforms existing methods in weather forecasting.

cs.LG

Continual Neural Topic Model

In continual learning, our aim is to learn a new task without forgetting what was learned previously. In topic models, this translates to learning new topic models without forgetting previously learned topics. Previous work either considered Dynamic Topic Models (DTMs), which learn the evolution of topics based on the entire training corpus at once, or Online Topic Models, which are updated continuously based on new data but do not have long-term memory. To fill this gap, we propose the Continual Neural Topic Model (CoNTM), which continuously learns topic models at subsequent time steps without forgetting what was previously learned. This is achieved using a global prior distribution that is continuously updated. In our experiments, CoNTM consistently outperformed the dynamic topic model in terms of topic quality and predictive perplexity while being able to capture topic changes online. The analysis reveals that CoNTM can learn more diverse topics and better capture temporal changes than existing methods.

cs.LG

Superstudent intelligence in thermodynamics

In this short note, we report and analyze a striking event: OpenAI's large language model o3 has outwitted all students in a university exam on thermodynamics. The thermodynamics exam is a difficult hurdle for most students, where they must show that they have mastered the fundamentals of this important topic. Consequently, the failure rates are very high, A-grades are rare - and they are considered proof of the students' exceptional intellectual abilities. This is because pattern learning does not help in the exam. The problems can only be solved by knowledgeably and creatively combining principles of thermodynamics. We have given our latest thermodynamics exam not only to the students but also to OpenAI's most powerful reasoning model, o3, and have assessed the answers of o3 exactly the same way as those of the students. In zero-shot mode, the model o3 solved all problems correctly, better than all students who took the exam; its overall score was in the range of the best scores we have seen in more than 10,000 similar exams since 1985. This is a turning point: machines now excel in complex tasks, usually taken as proof of human intellectual capabilities. We discuss the consequences this has for the work of engineers and the education of future engineers.

cs.CE

SetPINNs: Set-based Physics-informed Neural Networks

Physics-Informed Neural Networks (PINNs) solve partial differential equations using deep learning. However, conventional PINNs perform pointwise predictions that neglect dependencies within a domain, which may result in suboptimal solutions. We introduce SetPINNs, a framework that effectively captures local dependencies. With a finite element-inspired sampling scheme, we partition the domain into sets to model local dependencies while simultaneously enforcing physical laws. We provide a rigorous theoretical analysis showing that SetPINNs yield unbiased, lower-variance estimates of residual energy and its gradients, ensuring improved domain coverage and reduced residual error. Extensive experiments on synthetic and real-world tasks show improved accuracy, efficiency, and robustness.

cs.LG

Challenging Assumptions in Learning Generic Text Style Embeddings

Recent advancements in language representation learning primarily emphasize language modeling for deriving meaningful representations, often neglecting style-specific considerations. This study addresses this gap by creating generic, sentence-level style embeddings crucial for style-centric tasks. Our approach is grounded on the premise that low-level text style changes can compose any high-level style. We hypothesize that applying this concept to representation learning enables the development of versatile text style embeddings. By fine-tuning a general-purpose text encoder using contrastive learning and standard cross-entropy loss, we aim to capture these low-level style shifts, anticipating that they offer insights applicable to high-level text styles. The outcomes prompt us to reconsider the underlying assumptions as the results do not always show that the learned style representations capture high-level text styles.

cs.LG

Towards Graph Foundation Models: A Study on the Generalization of Positional and Structural Encodings

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these encodings and their potential to serve as foundational representations for graphs remain uncertain. This paper investigates the fine-tuning efficiency, scalability with sample size, and generalization capability of learnable PSEs across diverse graph datasets. Specifically, we evaluate their potential as universal pre-trained models that can be easily adapted to new tasks with minimal fine-tuning and limited data. Furthermore, we assess the expressivity of the learned representations, particularly, when used to augment downstream GNNs. We demonstrate through extensive benchmarking and empirical analysis that PSEs generally enhance downstream models. However, some datasets may require specific PSE-augmentations to achieve optimal performance. Nevertheless, our findings highlight their significant potential to become integral components of future graph foundation models. We provide new insights into the strengths and limitations of PSEs, contributing to the broader discourse on foundation models in graph learning.

cs.LG

Tethering Broken Themes: Aligning Neural Topic Models with Labels and Authors

Topic models are a popular approach for extracting semantic information from large document collections. However, recent studies suggest that the topics generated by these models often do not align well with human intentions. Although metadata such as labels and authorship information are available, it has not yet been effectively incorporated into neural topic models. To address this gap, we introduce FANToM, a novel method to align neural topic models with both labels and authorship information. FANToM allows for the inclusion of this metadata when available, producing interpretable topics and author distributions for each topic. Our approach demonstrates greater expressiveness than conventional topic models by learning the alignment between labels, topics, and authors. Experimental results show that FANToM improves existing models in terms of both topic quality and alignment. Additionally, it identifies author interests and similarities.

cs.IR

Multi-level Supervised Contrastive Learning

Contrastive learning is a well-established paradigm in representation learning. The standard framework of contrastive learning minimizes the distance between "similar" instances and maximizes the distance between dissimilar ones in the projection space, disregarding the various aspects of similarity that can exist between two samples. Current methods rely on a single projection head, which fails to capture the full complexity of different aspects of a sample, leading to suboptimal performance, especially in scenarios with limited training data. In this paper, we present a novel supervised contrastive learning method in a unified framework called multilevel contrastive learning (MLCL), that can be applied to both multi-label and hierarchical classification tasks. The key strength of the proposed method is the ability to capture similarities between samples across different labels and/or hierarchies using multiple projection heads. Extensive experiments on text and image datasets demonstrate that the proposed approach outperforms state-of-the-art contrastive learning methods

cs.LG

Using Large Language Models for Solving Thermodynamic Problems

Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving capabilities of LLMs in the domain of thermodynamics. A benchmark of 22 thermodynamic problems to evaluate LLMs is presented that contains both simple and advanced problems. Five different LLMs are assessed: GPT-3.5, GPT-4, and GPT-4o from OpenAI, Llama 3.1 from Meta, and le Chat from MistralAI. The answers of these LLMs were evaluated by trained human experts, following a methodology akin to the grading of academic exam responses. The scores and the consistency of the answers are discussed, together with the analytical skills of the LLMs. Both strengths and weaknesses of the LLMs become evident. They generally yield good results for the simple problems, but also limitations become clear: The LLMs do not provide consistent results, they often fail to fully comprehend the context and make wrong assumptions. Given the complexity and domain-specific nature of the problems, the statistical language modeling approach of the LLMs struggles with the accurate interpretation and the required reasoning. The present results highlight the need for more systematic integration of thermodynamic knowledge with LLMs, for example, by using knowledge-based methods.

cs.CE

BBPOS: BERT-based Part-of-Speech Tagging for Uzbek

This paper advances NLP research for the low-resource Uzbek language by evaluating two previously untested monolingual Uzbek BERT models on the part-of-speech (POS) tagging task and introducing the first publicly available UPOS-tagged benchmark dataset for Uzbek. Our fine-tuned models achieve 91% average accuracy, outperforming the baseline multi-lingual BERT as well as the rule-based tagger. Notably, these models capture intermediate POS changes through affixes and demonstrate context sensitivity, unlike existing rule-based taggers.

cs.CL