Structured prediction provides a general framework to deal with supervised problems where the outputs have semantically rich structure.

The performance of machine learning models in drug discovery is highly dependent on the quality and consistency of the underlying training data. Due to limitations in dataset sizes, many models are trained by aggregating bioactivity data from diverse sources, including public databases such as ChEMBL. However, this approach often introduces significant noise due to variability in experimental protocols. We introduce AssayMatch, a framework for data selection that builds smaller, more homogenous training sets attuned to the test set of interest. AssayMatch leverages data attribution methods to quantify the contribution of each training assay to model performance. These attribution scores are used to finetune language embeddings of text-based assay descriptions to capture not just semantic similarity, but also the compatibility between assays. Unlike existing data attribution methods, our approach enables data selection for a test set with unknown labels, mirroring real-world drug discovery campaigns where the activities of candidate molecules are not known in advance. At test time, embeddings finetuned with AssayMatch are used to rank all available training data. We demonstrate that models trained on data selected by AssayMatch are able to surpass the performance of the model trained on the complete dataset, highlighting its ability to effectively filter out harmful or noisy experiments. We perform experiments on two common machine learning architectures and see increased prediction capability over a strong language-only baseline for 9/12 model-target pairs. AssayMatch provides a data-driven mechanism to curate higher-quality datasets, reducing noise from incompatible experiments and improving the predictive power and data efficiency of models for drug discovery. AssayMatch is available at https://github.com/Ozymandias314/AssayMatch.

Argument summarization aims to generate concise, structured representations of complex, multi-perspective debates. While recent work has advanced the identification and clustering of argumentative components, the generation stage remains underexplored. Existing approaches typically rely on single-pass generation, offering limited support for factual correction or structural refinement. To address this gap, we introduce Arg-LLaDA, a novel large language diffusion framework that iteratively improves summaries via sufficiency-guided remasking and regeneration. Our method combines a flexible masking controller with a sufficiency-checking module to identify and revise unsupported, redundant, or incomplete spans, yielding more faithful, concise, and coherent outputs. Empirical results on two benchmark datasets demonstrate that Arg-LLaDA surpasses state-of-the-art baselines in 7 out of 10 automatic evaluation metrics. In addition, human evaluations reveal substantial improvements across core dimensions, coverage, faithfulness, and conciseness, validating the effectiveness of our iterative, sufficiency-aware generation strategy.

The growing importance of massive datasets used for deep learning makes robustness to label noise a critical property for classifiers to have.

For the task of generating complex outputs such as source code, editing existing outputs can be easier than generating complex outputs from scratch. With this motivation, we propose an approach that first retrieves a training example based on the input (e.g., natural language description) and then edits it to the desired output (e.g., code). Our contribution is a computationally efficient method for learning a retrieval model that embeds the input in a task-dependent way without relying on a hand-crafted metric or incurring the expense of jointly training the retriever with the editor. Our retrieve-and-edit framework can be applied on top of any base model. We show that on a new autocomplete task for GitHub Python code and the Hearthstone cards benchmark, retrieve-and-edit significantly boosts the performance of a vanilla sequence-to-sequence model on both tasks.

We propose to solve a label ranking problem as a structured output regression task. In this view, we adopt a least square surrogate loss approach that solves a supervised learning problem in two steps: a regression step in a well-chosen feature space and a pre-image (or decoding) step. We use specific feature maps/embeddings for ranking data, which convert any ranking/permutation into a vector representation. These embeddings are all well-tailored for our approach, either by resulting in consistent estimators, or by solving trivially the pre-image problem which is often the bottleneck in structured prediction. Their extension to the case of incomplete or partial rankings is also discussed. Finally, we provide empirical results on synthetic and real-world datasets showing the relevance of our method.

In practice, the cost of computing importances greatly limits the impact of importance sampling. We propose a robust, approximate importance sampling procedure (RAIS) for stochastic gradient descent. By approximating the ideal sampling distribution using robust optimization, RAIS provides much of the benefit of exact importance sampling with drastically reduced overhead. Empirically, we find RAIS-SGD and standard SGD follow similar learning curves, but RAIS moves faster through these paths, achieving speed-ups of at least 20% and sometimes much more.

We study the sample complexity of semi-supervised learning (SSL) and introduce new assumptions based on the mismatch between a mixture model learned from unlabeled data and the true mixture model induced by the (unknown) class conditional distributions. Under these assumptions, we establish an $\Omega(K\log K)$ labeled sample complexity bound without imposing parametric assumptions, where $K$ is the number of classes. Our results suggest that even in nonparametric settings it is possible to learn a near-optimal classifier using only a few labeled samples. Unlike previous theoretical work which focuses on binary classification, we consider general multiclass classification ($K> 2$), which requires solving a difficult permutation learning problem. This permutation defines a classifier whose classification error is controlled by the Wasserstein distance between mixing measures, and we provide finite-sample results characterizing the behaviour of the excess risk of this classifier. Finally, we describe three algorithms for computing these estimators based on a connection to bipartite graph matching, and perform experiments to illustrate the superiority of the MLE over the majority vote estimator.

In this paper, we consider online F-measure optimization (OFO). Unlike traditional performance metrics (e.g., classification error rate), F-measure is non-decomposable over training examples and is a non-convex function of model parameters, making it much more difficult to be optimized in an online fashion. Most existing results of OFO usually suffer from high memory/computational costs and/or lack statistical consistency guarantee for optimizing F-measure at the population level. To advance OFO, we propose an efficient online algorithm based on simultaneously learning a posterior probability of class and learning an optimal threshold by minimizing a stochastic strongly convex function with unknown strong convexity parameter. A key component of the proposed method is a novel stochastic algorithm with low memory and computational costs, which can enjoy a convergence rate of $\widetilde O(1/\sqrt{n})$ for learning the optimal threshold under a mild condition on the convergence of the posterior probability, where $n$ is the number of processed examples. It is provably faster than its predecessor based on a heuristic for updating the threshold. The experiments verify the efficiency of the proposed algorithm in comparison with state-of-the-art OFO algorithms.

Real-world learning systems have practical limitations on the quality and quantity of the training datasets that they can collect and consider. How should a system go about choosing a subset of the possible training examples that still allows for learning accurate, generalizable models? To help address this question, we draw inspiration from a highly efficient practical learning system: the human child. Using head-mounted cameras, eye gaze trackers, and a model of foveated vision, we collected first-person (egocentric) images that represents a highly accurate approximation of the training data that toddlers' visual systems collect in everyday, naturalistic learning contexts. We used state-of-the-art computer vision learning models (convolutional neural networks) to help characterize the structure of these data, and found that child data produce significantly better object models than egocentric data experienced by adults in exactly the same environment. By using the CNNs as a modeling tool to investigate the properties of the child data that may enable this rapid learning, we found that child data exhibit a unique combination of quality and diversity, with not only many similar large, high-quality object views but also a greater number and diversity of rare views. This novel methodology of analyzing the visual training data used by children may not only reveal insights to improve machine learning, but also may suggest new experimental tools to better understand infant learning in developmental psychology.