In user-facing applications, displaying calibrated confidence measures-- probabilities that correspond to true frequency--can be as important as obtaining high accuracy. We are interested in calibration for structured prediction problems such as speech recognition, optical character recognition, and medical diagnosis. Structured prediction presents new challenges for calibration: the output space is large, and users may issue many types of probability queries (e.g., marginals) on the structured output. We extend the notion of calibration so as to handle various subtleties pertaining to the structured setting, and then provide a simple recalibra-tion method that trains a binary classifier to predict probabilities of interest. We explore a range of features appropriate for structured recalibration, and demonstrate their efficacy on three real-world datasets.

Many real-world machine learning problems involve inherently hierarchical data, yet traditional approaches rely on Euclidean metrics that fail to capture the discrete, branching nature of hierarchical relationships. We present a theoretical foundation for machine learning in p-adic metric spaces, which naturally respect hierarchical structure. Our main result proves that an n-dimensional plane minimizing the p-adic sum of distances to points in a dataset must pass through at least n + 1 of those points -- a striking contrast to Euclidean regression that highlights how p-adic metrics better align with the discrete nature of hierarchical data. As a corollary, a polynomial of degree n constructed to minimise the p-adic sum of residuals will pass through at least n + 1 points. As a further corollary, a polynomial of degree n approximating a higher degree polynomial at a finite number of points will yield a difference polynomial that has distinct rational roots. We demonstrate the practical significance of this result through two applications in natural language processing: analyzing hierarchical taxonomies and modeling grammatical morphology. These results suggest that p-adic metrics may be fundamental to properly handling hierarchical data structures in machine learning. In hierarchical data, interpolation between points often makes less sense than selecting actual observed points as representatives.

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

Discriminative methods for learning structured models have enabled wide-spread use of very rich feature representations. However, the computational cost of feature extraction is prohibitive for large-scale or time-sensitive applications, often dominating the cost of inference in the models. Significant efforts have been devoted to sparsity-based model selection to decrease this cost. Such feature selection methods control computation statically and miss the opportunity to fine-tune feature extraction to each input at run-time. We address the key challenge of learning to control fine-grained feature extraction adaptively, exploiting non-homogeneity of the data.

While there are many studies on weight regularization, the study on structure regularization is rare. Many existing systems on structured prediction focus on increasing the level of structural dependencies within the model. However, this trend could have been misdirected, because our study suggests that complex structures are actually harmful to generalization ability in structured prediction. To control structure-based overfitting, we propose a structure regularization framework via \emph{structure decomposition}, which decomposes training samples into mini-samples with simpler structures, deriving a model with better generalization power. We show both theoretically and empirically that structure regularization can effectively control overfitting risk and lead to better accuracy. As a by-product, the proposed method can also substantially accelerate the training speed. The method and the theoretical results can apply to general graphical models with arbitrary structures. Experiments on well-known tasks demonstrate that our method can easily beat the benchmark systems on those highly-competitive tasks, achieving record-breaking accuracies yet with substantially faster training speed.

We propose a structured prediction algorithm for object localization based on Support Vector Machines (SVMs) using privileged information. Privileged information provides useful high-level knowledge for image understanding and facilitates learning a reliable model even with a small number of training examples. In our setting, we assume that such information is available only at training time since it may be difficult to obtain from visual data accurately without human supervision. Our goal is to improve performance by incorporating privileged information into ordinary learning framework and adjusting model parameters for better generalization. We tackle object localization problem based on a novel structural SVM using privileged information, where an alternating loss-augmented inference procedure is employed to handle the term in the objective function corresponding to privileged information. We apply the proposed algorithm to the Caltech-UCSD Birds 200-2011 dataset, and obtain encouraging results suggesting further investigation into the benefit of privileged information in structured prediction.

The prominence of weakly labeled data gives rise to a growing demand for object detection methods that can cope with minimal supervision. We propose an approach that automatically identifies discriminative configurations of visual patterns that are characteristic of a given object class. We formulate the problem as a constrained submodular optimization problem and demonstrate the benefits of the discovered configurations in remedying mislocalizations and finding informative positive and negative training examples.

Many modern applications involve predicting structured, non-Euclidean outputs such as probability distributions, networks, and symmetric positive-definite matrices. These outputs are naturally modeled as elements of general metric spaces, where classical regression techniques that rely on vector space structure no longer apply. We introduce E2M (End-to-End Metric regression), a deep learning framework for predicting metric space-valued outputs. E2M performs prediction via a weighted Fréchet means over training outputs, where the weights are learned by a neural network conditioned on the input. This construction provides a principled mechanism for geometry-aware prediction that avoids surrogate embeddings and restrictive parametric assumptions, while fully preserving the intrinsic geometry of the output space. We establish theoretical guarantees, including a universal approximation theorem that characterizes the expressive capacity of the model and a convergence analysis of the entropy-regularized training objective. Through extensive simulations involving probability distributions, networks, and symmetric positive-definite matrices, we show that E2M consistently achieves state-of-the-art performance, with its advantages becoming more pronounced at larger sample sizes. Applications to human mortality distributions and New York City taxi networks further demonstrate the flexibility and practical utility of the framework.

We introduce a general framework for analyzing data modeled as parameterized families of networks. Building on a Gromov-Wasserstein variant of optimal transport, we define a family of parameterized Gromov-Wasserstein distances for comparing such parametric data, including time-varying metric spaces induced by collective motion, temporally evolving weighted social networks, and random graph models. We establish foundational properties of these distances, showing that they subsume several existing metrics in the literature, and derive theoretical approximation guarantees. In particular, we develop computationally tractable lower bounds and relate them to graph statistics commonly used in random graph theory. Furthermore, we prove that our distances can be consistently approximated in random graph and random metric space settings via empirical estimates from generative models. Finally, we demonstrate the practical utility of our framework through a series of numerical experiments.

Linking implicit scientific claims made on social media to their original publications is crucial for evidence-based fact-checking and scholarly discourse, yet it is hindered by lexical sparsity, very short queries, and domain-specific language. Team AIRwaves ranked second in Subtask 4b of the CLEF-2025 CheckThat! Lab with an evidence-retrieval approach that markedly outperforms the competition baseline. The optimized sparse-retrieval baseline(BM25) achieves MRR@5 = 0.5025 on the gold label blind test set. To surpass this baseline, a two-stage retrieval pipeline is introduced: (i) a first stage that uses a dual encoder based on E5-large, fine-tuned using in-batch and mined hard negatives and enhanced through chunked tokenization and rich document metadata; and (ii) a neural re-ranking stage using a SciBERT cross-encoder. Replacing purely lexical matching with neural representations lifts performance to MRR@5 = 0.6174, and the complete pipeline further improves to MRR@5 = 0.6828. The findings demonstrate that coupling dense retrieval with neural re-rankers delivers a powerful and efficient solution for tweet-to-study matching and provides a practical blueprint for future evidence-retrieval pipelines.