A Label is Worth a Thousand Images in Dataset Distillation

Data $\textit{quality}$ is a crucial factor in the performance of machine learning models, a principle that dataset distillation methods exploit by compressing training datasets into much smaller counterparts that maintain similar downstream performance. Understanding how and why data distillation methods work is vital not only for improving these methods but also for revealing fundamental characteristics of "good" training data. However, a major challenge in achieving this goal is the observation that distillation approaches, which rely on sophisticated but mostly disparate methods to generate synthetic data, have little in common with each other. In this work, we highlight a largely overlooked aspect common to most of these methods: the use of soft (probabilistic) labels. Through a series of ablation experiments, we study the role of soft labels in depth. Our results reveal that the main factor explaining the performance of state-of-the-art distillation methods is not the specific techniques used to generate synthetic data but rather the use of soft labels. Furthermore, we demonstrate that not all soft labels are created equal; they must contain $\textit{structured information}$ to be beneficial. We also provide empirical scaling laws that characterize the effectiveness of soft labels as a function of images-per-class in the distilled dataset and establish an empirical Pareto frontier for data-efficient learning. Combined, our findings challenge conventional wisdom in dataset distillation, underscore the importance of soft labels in learning, and suggest new directions for improving distillation methods. Code for all experiments is available at https://github.com/sunnytqin/no-distillation.

Continuous Language Model Interpolation for Dynamic and Controllable Text Generation

As large language models (LLMs) have gained popularity for a variety of use cases, making them adaptable and controllable has become increasingly important, especially for user-facing applications. While the existing literature on LLM adaptation primarily focuses on finding a model (or models) that optimizes a single predefined objective, here we focus on the challenging case where the model must dynamically adapt to diverse -- and often changing -- user preferences. For this, we leverage adaptation methods based on linear weight interpolation, casting them as continuous multi-domain interpolators that produce models with specific prescribed generation characteristics on-the-fly. Specifically, we use low-rank updates to fine-tune a base model to various different domains, yielding a set of anchor models with distinct generation profiles. Then, we use the weight updates of these anchor models to parametrize the entire (infinite) class of models contained within their convex hull. We empirically show that varying the interpolation weights yields predictable and consistent change in the model outputs with respect to all of the controlled attributes. We find that there is little entanglement between most attributes and identify and discuss the pairs of attributes for which this is not the case. Our results suggest that linearly interpolating between the weights of fine-tuned models facilitates predictable, fine-grained control of model outputs with respect to multiple stylistic characteristics simultaneously.

Distributional Dataset Distillation with Subtask Decomposition

What does a neural network learn when training from a task-specific dataset? Synthesizing this knowledge is the central idea behind Dataset Distillation, which recent work has shown can be used to compress large datasets into a small set of input-label pairs ($\textit{prototypes}$) that capture essential aspects of the original dataset. In this paper, we make the key observation that existing methods distilling into explicit prototypes are very often suboptimal, incurring in unexpected storage cost from distilled labels. In response, we propose $\textit{Distributional Dataset Distillation}$ (D3), which encodes the data using minimal sufficient per-class statistics and paired with a decoder, we distill dataset into a compact distributional representation that is more memory-efficient compared to prototype-based methods. To scale up the process of learning these representations, we propose $\textit{Federated distillation}$, which decomposes the dataset into subsets, distills them in parallel using sub-task experts and then re-aggregates them. We thoroughly evaluate our algorithm on a three-dimensional metric and show that our method achieves state-of-the-art results on TinyImageNet and ImageNet-1K. Specifically, we outperform the prior art by $6.9\%$ on ImageNet-1K under the storage budget of 2 images per class.

Tag-LLM: Repurposing General-Purpose LLMs for Specialized Domains

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Generating Synthetic Datasets by Interpolating along Generalized Geodesics

Data for pretraining machine learning models often consists of collections of heterogeneous datasets. Although training on their union is reasonable in agnostic settings, it might be suboptimal when the target domain -- where the model will ultimately be used -- is known in advance. In that case, one would ideally pretrain only on the dataset(s) most similar to the target one. Instead of limiting this choice to those datasets already present in the pretraining collection, here we explore extending this search to all datasets that can be synthesized as `combinations' of them. We define such combinations as multi-dataset interpolations, formalized through the notion of generalized geodesics from optimal transport (OT) theory. We compute these geodesics using a recent notion of distance between labeled datasets, and derive alternative interpolation schemes based on it: using either barycentric projections or optimal transport maps, the latter computed using recent neural OT methods. These methods are scalable, efficient, and -- notably -- can be used to interpolate even between datasets with distinct and unrelated label sets. Through various experiments in transfer learning in computer vision, we demonstrate this is a promising new approach for targeted on-demand dataset synthesis.

Domain adaptation using optimal transport for invariant learning using histopathology datasets

Histopathology is critical for the diagnosis of many diseases, including cancer. These protocols typically require pathologists to manually evaluate slides under a microscope, which is time-consuming and subjective, leading to interest in machine learning to automate analysis. However, computational techniques are limited by batch effects, where technical factors like differences in preparation protocol or scanners can alter the appearance of slides, causing models trained on one institution to fail when generalizing to others. Here, we propose a domain adaptation method that improves the generalization of histopathological models to data from unseen institutions, without the need for labels or retraining in these new settings. Our approach introduces an optimal transport (OT) loss, that extends adversarial methods that penalize models if images from different institutions can be distinguished in their representation space. Unlike previous methods, which operate on single samples, our loss accounts for distributional differences between batches of images. We show that on the Camelyon17 dataset, while both methods can adapt to global differences in color distribution, only our OT loss can reliably classify a cancer phenotype unseen during training. Together, our results suggest that OT improves generalization on rare but critical phenotypes that may only make up a small fraction of the total tiles and variation in a slide.

Transfer RL via the Undo Maps Formalism

Transferring knowledge across domains is one of the most fundamental problems in machine learning, but doing so effectively in the context of reinforcement learning remains largely an open problem. Current methods make strong assumptions on the specifics of the task, often lack principled objectives, and -- crucially -- modify individual policies, which might be sub-optimal when the domains differ due to a drift in the state space, i.e., it is intrinsic to the environment and therefore affects every agent interacting with it. To address these drawbacks, we propose TvD: transfer via distribution matching, a framework to transfer knowledge across interactive domains. We approach the problem from a data-centric perspective, characterizing the discrepancy in environments by means of (potentially complex) transformation between their state spaces, and thus posing the problem of transfer as learning to undo this transformation. To accomplish this, we introduce a novel optimization objective based on an optimal transport distance between two distributions over trajectories -- those generated by an already-learned policy in the source domain and a learnable pushforward policy in the target domain. We show this objective leads to a policy update scheme reminiscent of imitation learning, and derive an efficient algorithm to implement it. Our experiments in simple gridworlds show that this method yields successful transfer learning across a wide range of environment transformations.

Budget-Constrained Bounds for Mini-Batch Estimation of Optimal Transport

Optimal Transport (OT) is a fundamental tool for comparing probability distributions, but its exact computation remains prohibitive for large datasets. In this work, we introduce novel families of upper and lower bounds for the OT problem constructed by aggregating solutions of mini-batch OT problems. The upper bound family contains traditional mini-batch averaging at one extreme and a tight bound found by optimal coupling of mini-batches at the other. In between these extremes, we propose various methods to construct bounds based on a fixed computational budget. Through various experiments, we explore the trade-off between computational budget and bound tightness and show the usefulness of these bounds in computer vision applications.

InfoOT: Information Maximizing Optimal Transport

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and cannot integrate new data points. To address these drawbacks, we propose InfoOT, an information-theoretic extension of optimal transport that maximizes the mutual information between domains while minimizing geometric distances. The resulting objective can still be formulated as a (generalized) optimal transport problem, and can be efficiently solved by projected gradient descent. This formulation yields a new projection method that is robust to outliers and generalizes to unseen samples. Empirically, InfoOT improves the quality of alignments across benchmarks in domain adaptation, cross-domain retrieval, and single-cell alignment.

Neural Unbalanced Optimal Transport via Cycle-Consistent Semi-Couplings

Comparing unpaired samples of a distribution or population taken at different points in time is a fundamental task in many application domains where measuring populations is destructive and cannot be done repeatedly on the same sample, such as in single-cell biology. Optimal transport (OT) can solve this challenge by learning an optimal coupling of samples across distributions from unpaired data. However, the usual formulation of OT assumes conservation of mass, which is violated in unbalanced scenarios in which the population size changes (e.g., cell proliferation or death) between measurements. In this work, we introduce NubOT, a neural unbalanced OT formulation that relies on the formalism of semi-couplings to account for creation and destruction of mass. To estimate such semi-couplings and generalize out-of-sample, we derive an efficient parameterization based on neural optimal transport maps and propose a novel algorithmic scheme through a cycle-consistent training procedure. We apply our method to the challenging task of forecasting heterogeneous responses of multiple cancer cell lines to various drugs, where we observe that by accurately modeling cell proliferation and death, our method yields notable improvements over previous neural optimal transport methods.