reference data
OrthoLoC: UAV 6-DoF Localization and Calibration Using Orthographic Geodata
Accurate visual localization from aerial views is a fundamental problem with applications in mapping, large-area inspection, and search-and-rescue operations. In many scenarios, these systems require high-precision localization while operating with limited resources (e.g., no internet connection or GNSS/GPS support), making large image databases or heavy 3D models impractical. Surprisingly, little attention has been given to leveraging orthographic geodata as an alternative paradigm, which is lightweight and increasingly available through free releases by governmental authorities (e.g., the European Union). To fill this gap, we propose OrthoLoC, the first large-scale dataset comprising 16,425 UAV images from Germany and the United States with multiple modalities.
LOTTERY: Learning from Reference-Only Samples in Two-Sample Testing under Size Asymmetry
Tian, Xunye, Zhou, Zhijian, Peng, Liuhua, Liu, Feng
Data-adaptive two-sample testing assesses if two samples come from the same distribution, using a discrepancy learned from the data (e.g., via kernel-based feature representations). Such methods typically rely on data splitting to decouple learning from testing and control type I error. However, this paradigm is ill-suited to few-shot settings with severe sample-size imbalance: abundant reference samples are available, while only a handful of query samples arrive. In this paper, we show how this imbalance can be leveraged constructively. Using abundant reference data, we learn reference-dependent representations that summarize salient structure of the reference distribution and provide informative signals for detecting departures. We incorporate a collection of representation families that capture both global and local structure, and adaptively weight them using only reference samples via an uncertainty-guided principle. Theoretically, we establish permutation-based type I error control and show consistency of the aggregated test: as the sample sizes grow, the test power converges to one whenever the representation set contains at least one consistent representation. Empirically, our aggregation achieves strong performance across a range of benchmarks while retaining type I error control.
PROSPECT PTMs: Rich Labeled Tandem Mass Spectrometry Dataset of Modified Peptides for Machine Learning in Proteomics
Post-Translational Modifications (PTMs) are changes that occur in proteins after synthesis, influencing their structure, function, and cellular behavior. PTMs are essential in cell biology; they regulate protein function and stability, are involved in various cellular processes, and are linked to numerous diseases. A particularly interesting class of PTMs are chemical modifications such as phosphorylation introduced on amino acid side chains because they can drastically alter the physicochemical properties of the peptides once they are present. One or more PTMs can be attached to each amino acid of the peptide sequence. The most commonly applied technique to detect PTMs on proteins is bottom-up Mass Spectrometry-based proteomics (MS), where proteins are digested into peptides and subsequently analyzed using Tandem Mass Spectrometry (MS/MS).
Conformal Alignment: Knowing When to Trust Foundation Models with Guarantees
Before deploying outputs from foundation models in high-stakes tasks, it is imperative to ensure that they align with human values.For instance, in radiology report generation, reports generated by a vision-language model must align with human evaluations before their use in medical decision-making. This paper presents Conformal Alignment, a general framework for identifying units whose outputs meet a user-specified alignment criterion. It is guaranteed that on average, a prescribed fraction of selected units indeed meet the alignment criterion, regardless of the foundation model or the data distribution. Given any pre-trained model and new units with model-generated outputs, Conformal Alignment leverages a set of reference data with ground-truth alignment status to train an alignment predictor. It then selects new units whose predicted alignment scores surpass a data-dependent threshold, certifying their corresponding outputs as trustworthy. Through applications to question answering and radiology report generation, we demonstrate that our method is able to accurately identify units with trustworthy outputs via lightweight training over a moderate amount of reference data. En route, we investigate the informativeness of various features in alignment prediction and combine them with standard models to construct the alignment predictor.
fef6f971605336724b5e6c0c12dc2534-Supplemental.pdf
I W scalars. Taking an expectation on both sides of (17) we obtain { } The next lemma characterizes the spectral properties of the disagreement matrix, used in Lemma 4. W is also a stochastic matrix. W are that of I W, each with multiplicity K. W) = 1 with multiplicity K. Again we can check that the eigenspace of ( ฮป We prove this result by induction on n. For n = 1 it is trivial. Now assume that the inequality holds for all l n 1. We provide the proof here for completeness.
Online Partitioned Local Depth for semi-supervised applications
Foley, John D., Lee, Justin T.
We introduce an extension of the partitioned local depth (PaLD) algorithm that is adapted to online applications such as semi-supervised prediction. The new algorithm we present, online PaLD, is well-suited to situations where it is a possible to pre-compute a cohesion network from a reference dataset. After $O(n^3)$ steps to construct a queryable data structure, online PaLD can extend the cohesion network to a new data point in $O(n^2)$ time. Our approach complements previous speed up approaches based on approximation and parallelism. For illustrations, we present applications to online anomaly detection and semi-supervised classification for health-care datasets.
GREAT: Generalizable Representation Enhancement via Auxiliary Transformations for Zero-Shot Environmental Prediction
Luo, Shiyuan, Qiu, Chonghao, Yu, Runlong, Xie, Yiqun, Jia, Xiaowei
Environmental modeling faces critical challenges in predicting ecosystem dynamics across unmonitored regions due to limited and geographically imbalanced observation data. This challenge is compounded by spatial heterogeneity, causing models to learn spurious patterns that fit only local data. Unlike conventional domain generalization, environmental modeling must preserve invariant physical relationships and temporal coherence during augmentation. In this paper, we introduce Generalizable Representation Enhancement via Auxiliary Transformations (GREAT), a framework that effectively augments available datasets to improve predictions in completely unseen regions. GREAT guides the augmentation process to ensure that the original governing processes can be recovered from the augmented data, and the inclusion of the augmented data leads to improved model generalization. Specifically, GREAT learns transformation functions at multiple layers of neural networks to augment both raw environmental features and temporal influence. They are refined through a novel bi-level training process that constrains augmented data to preserve key patterns of the original source data. We demonstrate GREAT's effectiveness on stream temperature prediction across six ecologically diverse watersheds in the eastern U.S., each containing multiple stream segments. Experimental results show that GREAT significantly outperforms existing methods in zero-shot scenarios. This work provides a practical solution for environmental applications where comprehensive monitoring is infeasible.
Learning to Validate Generative Models: a Goodness-of-Fit Approach
Cappelli, Pietro, Grosso, Gaia, Letizia, Marco, Reyes-Gonzรกlez, Humberto, Zanetti, Marco
Generative models are increasingly central to scientific workflows, yet their systematic use and interpretation require a proper understanding of their limitations through rigorous validation. Classic approaches struggle with scalability, statistical power, or interpretability when applied to high-dimensional data, making it difficult to certify the reliability of these models in realistic, high-dimensional scientific settings. Here, we propose the use of the New Physics Learning Machine (NPLM), a learning based approach to goodness-of-fit testing inspired by the Neyman-Pearson construction, to test generative networks trained on high-dimensional scientific data. We demonstrate the performance of NPLM for validation in two benchmark cases: generative models trained on mixtures of Gaussian models with increasing dimensionality, and a public end-to-end generator for the Large Hadron Collider called FlashSim, trained on jet data, typical in the field of high-energy physics. We demonstrate that the NPLM can serve as a powerful validation method while also providing a means to diagnose sub-optimally modeled regions of the data.
seqme: a Python library for evaluating biological sequence design
Mรธller-Larsen, Rasmus, Izdebski, Adam, Olszewski, Jan, Gawade, Pankhil, Kmicikiewicz, Michal, Zarzecki, Wojciech, Szczurek, Ewa
Recent advances in computational methods for designing biological sequences have sparked the development of metrics to evaluate these methods performance in terms of the fidelity of the designed sequences to a target distribution and their attainment of desired properties. However, a single software library implementing these metrics was lacking. In this work we introduce seqme, a modular and highly extendable open-source Python library, containing model-agnostic metrics for evaluating computational methods for biological sequence design. seqme considers three groups of metrics: sequence-based, embedding-based, and property-based, and is applicable to a wide range of biological sequences: small molecules, DNA, ncRNA, mRNA, peptides and proteins. The library offers a number of embedding and property models for biological sequences, as well as diagnostics and visualization functions to inspect the results. seqme can be used to evaluate both one-shot and iterative computational design methods.
From Propagation to Prediction: Point-level Uncertainty Evaluation of MLS Point Clouds under Limited Ground Truth
Xu, Ziyang, Wysocki, Olaf, Holst, Christoph
Evaluating uncertainty is critical for reliable use of Mobile Laser Scanning (MLS) point clouds in many high-precision applications such as Scan-to-BIM, deformation analysis, and 3D modeling. However, obtaining the ground truth (GT) for evaluation is often costly and infeasible in many real-world applications. To reduce this long-standing reliance on GT in uncertainty evaluation research, this study presents a learning-based framework for MLS point clouds that integrates optimal neighborhood estimation with geometric feature extraction. Experiments on a real-world dataset show that the proposed framework is feasible and the XGBoost model delivers fully comparable accuracy to Random Forest while achieving substantially higher efficiency (about 3 times faster), providing initial evidence that geometric features can be used to predict point-level uncertainty quantified by the C2C distance. In summary, this study shows that MLS point clouds' uncertainty is learnable, offering a novel learning-based viewpoint towards uncertainty evaluation research.