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.

Few-shot in-context learning (ICL) enables pre-trained language models to perform a previously-unseen task without any gradient-based training by feeding a small number of training examples as part of the input.

Learning curves are an important diagnostic tool that provide researchers and practitioners with insight into a learner's generalization behavior [Shalev-Shwartz and Ben-David, 2014].

Key to structured prediction is exploiting the problem's structure to simplify the learning process.

State-of-the-art machine learning often follows a two-stage process: $(i)$~pre-training on large, general-purpose datasets; $(ii)$~fine-tuning on task-specific data. In fine-tuning, selecting training examples that closely reflect the target distribution is crucial. However, it is often the case that only a few samples are available from the target distribution. Existing data selection methods treat these target samples as a validation set and estimate the effect of adding or removing a single sample from the training pool by performing inference on the validation set. We propose a simpler and faster alternative that inverts the usual role of train and validation: we perform inference on the training pool before and after fine-tuning on the validation set. We then select samples whose predictions change the most. Our key insight is that the training samples most affected by fine-tuning on a small validation set tend to be the most beneficial for reducing test loss on the target distribution. Experiments on instruction tuning and named entity recognition tasks show that, in most cases, our method achieves lower test log-loss than state-of-the-art approaches. We support our findings with theoretical analysis.

Knowledge distillation (KD) is a widely used framework for training compact, task-specific models by transferring the knowledge from teacher models. However, its application to active learning (AL), which aims to minimize annotation costs through iterative sample selection, remains underexplored. This gap stems from the fact that KD typically assumes access to sufficient labeled data, whereas AL operates in data-scarce scenarios where task-specific teacher models are often unavailable. In this paper, we first introduce ActiveKD, a framework that integrates AL with KD by leveraging the zero- and few-shot capabilities of large vision-language models (VLMs). A key aspect of ActiveKD is the structured prediction bias of VLMs-i.e., their predictions form clusters in the probability space. We regard this structure as an inductive bias of the teacher model, capturing generalizable output patterns beneficial to student learning. To exploit this bias, we propose Probabilistic CoreSet (PCoreSet), a selection strategy that maximizes coverage in the probability space rather than the feature space. PCoreSet strategically selects probabilistically diverse unlabeled samples, facilitating more efficient transfer of teacher knowledge under limited annotation budgets. Extensive evaluations on 11 datasets show that ActiveKD consistently improves performance across selection methods (e.g., +29.07% on ImageNet, averaged over methods). Under ActiveKD, PCoreSet ranks first in 64/73 settings (approximately 87.7%) across 5 student and 3 teacher networks, always achieving the best performance except for first 2 AL rounds. Our code is available at https://github.com/erjui/PCoreSet.

Generating large and diverse obstacle datasets to learn motion planning in environments with dynamic obstacles is challenging due to the vast space of possible obstacle trajectories. Inspired by hallucination-based data synthesis approaches, we propose Learning from Hallucinating Critical Points (LfH-CP), a self-supervised framework for creating rich dynamic obstacle datasets based on existing optimal motion plans without requiring expensive expert demonstrations or trial-and-error exploration. LfH-CP factorizes hallucination into two stages: first identifying when and where obstacles must appear in order to result in an optimal motion plan, i.e., the critical points, and then procedurally generating diverse trajectories that pass through these points while avoiding collisions. This factorization avoids generative failures such as mode collapse and ensures coverage of diverse dynamic behaviors. We further introduce a diversity metric to quantify dataset richness and show that LfH-CP produces substantially more varied training data than existing baselines. Experiments in simulation demonstrate that planners trained on LfH-CP datasets achieves higher success rates compared to a prior hallucination method.

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.