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Justin Solomon

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12 papers

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TMLR Journal 2025 Journal Article

Closed-Form Diffusion Models

Christopher Scarvelis
Haitz Sáez de Ocáriz Borde
Justin Solomon

Score-based generative models (SGMs) sample from a target distribution by iteratively transforming noise using the score function of the perturbed target. For any finite training set, this score function can be evaluated in closed form, but the resulting SGM memorizes its training data and does not generate novel samples. In practice, one approximates the score by training a neural network via score-matching. The error in this approximation promotes generalization, but neural SGMs are costly to train and sample, and the effective regularization this error provides is not well-understood theoretically. In this work, we instead explicitly smooth the closed-form score to obtain an SGM that generates novel samples without training. We analyze our model and propose an efficient nearest-neighbor-based estimator of its score function. Using this estimator, our method achieves competitive sampling times while running on consumer-grade CPUs.

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TMLR Journal 2025 Journal Article

Deep Augmentation: Dropout as Augmentation for Self-Supervised Learning

Rickard Brüel Gabrielsson
Tongzhou Wang
Manel Baradad
Justin Solomon

Despite dropout’s ubiquity in machine learning, its effectiveness as a form of data augmentation remains under-explored. We address two key questions: (i) When is dropout effective as an augmentation strategy? (ii) Is dropout uniquely effective under these conditions? To explore these questions, we propose Deep Augmentation, a network- and modality-agnostic method that applies dropout or PCA transformations to targeted layers in neural networks. Through extensive experiments on contrastive learning tasks in NLP, computer vision, and graph learning, we find that uniformly applying dropout across layers does not consistently improve performance. Instead, dropout proves most beneficial in deeper layers and can be matched by alternative augmentations (e.g., PCA). We also show that a stop-gradient operation is critical for ensuring dropout functions effectively as an augmentation, and that performance trends invert when moving from contrastive tasks to supervised tasks. Our analysis suggests that Deep Augmentation helps mitigate inter-layer co-adaptation---a notable issue in self-supervised learning due to the absence of labeled data. Drawing on these insights, we outline a procedure for selecting the optimal augmentation layer and demonstrate that Deep Augmentation can outperform traditional input-level augmentations. This simple yet powerful approach can be seamlessly integrated into a wide range of architectures and modalities, yielding notable gains in both performance and generalization.

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NeurIPS Conference 2025 Conference Paper

Locality in Image Diffusion Models Emerges from Data Statistics

Artem Lukoianov
Chenyang Yuan
Justin Solomon
Vincent Sitzmann

Recent work has shown that the generalization ability of image diffusion models arises from the locality properties of the trained neural network. In particular, when denoising a particular pixel, the model relies on a limited neighborhood of the input image around that pixel, which, according to the previous work, is tightly related to the ability of these models to produce novel images. Since locality is central to generalization, it is crucial to understand why diffusion models learn local behavior in the first place, as well as the factors that govern the properties of locality patterns. In this work, we present evidence that the locality in deep diffusion models emerges as a statistical property of the image dataset and is not due to the inductive bias of convolutional neural networks, as suggested in previous work. Specifically, we demonstrate that an optimal parametric linear denoiser exhibits similar locality properties to deep neural denoisers. We show, both theoretically and experimentally, that this locality arises directly from pixel correlations present in the image datasets. Moreover, locality patterns are drastically different on specialized datasets, approximating principal components of the data’s covariance. We use these insights to craft an analytical denoiser that better matches scores predicted by a deep diffusion model than prior expert-crafted alternatives. Our key takeaway is that while neural network architectures influence generation quality, their primary role is to capture locality patterns inherent in the data.

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NeurIPS Conference 2024 Conference Paper

Nuclear Norm Regularization for Deep Learning

Christopher Scarvelis
Justin Solomon

Penalizing the nuclear norm of a function's Jacobian encourages it to locally behave like a low-rank linear map. Such functions vary locally along only a handful of directions, making the Jacobian nuclear norm a natural regularizer for machine learning problems. However, this regularizer is intractable for high-dimensional problems, as it requires computing a large Jacobian matrix and taking its SVD. We show how to efficiently penalize the Jacobian nuclear norm using techniques tailor-made for deep learning. We prove that for functions parametrized as compositions $f = g \circ h$, one may equivalently penalize the average squared Frobenius norm of $Jg$ and $Jh$. We then propose a denoising-style approximation that avoids the Jacobian computations altogether. Our method is simple, efficient, and accurate, enabling Jacobian nuclear norm regularization to scale to high-dimensional deep learning problems. We complement our theory with an empirical study of our regularizer's performance and investigate applications to denoising and representation learning.

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NeurIPS Conference 2024 Conference Paper

Score Distillation via Reparametrized DDIM

Artem Lukoianov
Haitz S. de Ocáriz Borde
Kristjan Greenewald
Vitor C. Guizilini
Timur Bagautdinov
Vincent Sitzmann
Justin Solomon

While 2D diffusion models generate realistic, high-detail images, 3D shape generation methods like Score Distillation Sampling (SDS) built on these 2D diffusion models produce cartoon-like, over-smoothed shapes. To help explain this discrepancy, we show that the image guidance used in Score Distillation can be understood as the velocity field of a 2D denoising generative process, up to the choice of a noise term. In particular, after a change of variables, SDS resembles a high-variance version of Denoising Diffusion Implicit Models (DDIM) with a differently-sampled noise term: SDS introduces noise i. i. d. randomly at each step, while DDIM infers it from the previous noise predictions. This excessive variance can lead to over-smoothing and unrealistic outputs. We show that a better noise approximation can be recovered by inverting DDIM in each SDS update step. This modification makes SDS's generative process for 2D images almost identical to DDIM. In 3D, it removes over-smoothing, preserves higher-frequency detail, and brings the generation quality closer to that of 2D samplers. Experimentally, our method achieves better or similar 3D generation quality compared to other state-of-the-art Score Distillation methods, all without training additional neural networks or multi-view supervision, and providing useful insights into relationship between 2D and 3D asset generation with diffusion models.

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TMLR Journal 2023 Journal Article

$k$-Mixup Regularization for Deep Learning via Optimal Transport

Kristjan Greenewald
Anming Gu
Mikhail Yurochkin
Justin Solomon
Edward Chien

Mixup is a popular regularization technique for training deep neural networks that improves generalization and increases robustness to certain distribution shifts. It perturbs input training data in the direction of other randomly-chosen instances in the training set. To better leverage the structure of the data, we extend mixup in a simple, broadly applicable way to $k$-mixup, which perturbs $k$-batches of training points in the direction of other $k$-batches. The perturbation is done with displacement interpolation, i.e. interpolation under the Wasserstein metric. We demonstrate theoretically and in simulations that $k$-mixup preserves cluster and manifold structures, and we extend theory studying the efficacy of standard mixup to the $k$-mixup case. Our empirical results show that training with $k$-mixup further improves generalization and robustness across several network architectures and benchmark datasets of differing modalities. For the wide variety of real datasets considered, the performance gains of $k$-mixup over standard mixup are similar to or larger than the gains of mixup itself over standard ERM after hyperparameter optimization. In several instances, in fact, $k$-mixup achieves gains in settings where standard mixup has negligible to zero improvement over ERM.

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TMLR Journal 2023 Journal Article

Rewiring with Positional Encodings for Graph Neural Networks

Rickard Brüel Gabrielsson
Mikhail Yurochkin
Justin Solomon

Several recent works use positional encodings to extend the receptive fields of graph neural network (GNN) layers equipped with attention mechanisms. These techniques, however, extend receptive fields to the complete graph, at substantial computational cost and risking a change in the inductive biases of conventional GNNs, or require complex architecture adjustments. As a conservative alternative, we use positional encodings to expand receptive fields to r-hop neighborhoods. More specifically, our method augments the input graph with additional nodes/edges and uses positional encodings as node and/or edge features. We thus modify graphs before inputting them to a downstream GNN model, instead of modifying the model itself. This makes our method model-agnostic, i.e., compatible with any of the existing GNN architectures. We also provide examples of positional encodings that are lossless with a one-to-one map between the original and the modified graphs. We demonstrate that extending receptive fields via positional encodings and a virtual fully- connected node significantly improves GNN performance and alleviates over-squashing using small r. We obtain improvements on a variety of models and datasets and reach competitive performance using traditional GNNs or graph Transformers.

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JMLR Journal 2021 Journal Article

Incorporating Unlabeled Data into Distributionally Robust Learning

Charlie Frogner
Sebastian Claici
Edward Chien
Justin Solomon

We study a robust alternative to empirical risk minimization called distributionally robust learning (DRL), in which one learns to perform against an adversary who can choose the data distribution from a specified set of distributions. We illustrate a problem with current DRL formulations, which rely on an overly broad definition of allowed distributions for the adversary, leading to learned classifiers that are unable to predict with any confidence. We propose a solution that incorporates unlabeled data into the DRL problem to further constrain the adversary. We show that this new formulation is tractable for stochastic gradient-based optimization and yields a computable guarantee on the future performance of the learned classifier, analogous to -- but tighter than -- guarantees from conventional DRL. We examine the performance of this new formulation on 14 real data sets and find that it often yields effective classifiers with nontrivial performance guarantees in situations where conventional DRL produces neither. Inspired by these results, we extend our DRL formulation to active learning with a novel, distributionally-robust version of the standard model-change heuristic. Our active learning algorithm often achieves superior learning performance to the original heuristic on real data sets. [abs] [ pdf ][ bib ] &copy JMLR 2021. ( edit, beta )

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NeurIPS Conference 2019 Conference Paper

Alleviating Label Switching with Optimal Transport

Pierre Monteiller
Sebastian Claici
Edward Chien
Farzaneh Mirzazadeh
Justin Solomon
Mikhail Yurochkin

Label switching is a phenomenon arising in mixture model posterior inference that prevents one from meaningfully assessing posterior statistics using standard Monte Carlo procedures. This issue arises due to invariance of the posterior under actions of a group; for example, permuting the ordering of mixture components has no effect on the likelihood. We propose a resolution to label switching that leverages machinery from optimal transport. Our algorithm efficiently computes posterior statistics in the quotient space of the symmetry group. We give conditions under which there is a meaningful solution to label switching and demonstrate advantages over alternative approaches on simulated and real data.

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NeurIPS Conference 2019 Conference Paper

Hierarchical Optimal Transport for Document Representation

Mikhail Yurochkin
Sebastian Claici
Edward Chien
Farzaneh Mirzazadeh
Justin Solomon

The ability to measure similarity between documents enables intelligent summarization and analysis of large corpora. Past distances between documents suffer from either an inability to incorporate semantic similarities between words or from scalability issues. As an alternative, we introduce hierarchical optimal transport as a meta-distance between documents, where documents are modeled as distributions over topics, which themselves are modeled as distributions over words. We then solve an optimal transport problem on the smaller topic space to compute a similarity score. We give conditions on the topics under which this construction defines a distance, and we relate it to the word mover's distance. We evaluate our technique for k-NN classification and show better interpretability and scalability with comparable performance to current methods at a fraction of the cost.

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NeurIPS Conference 2019 Conference Paper

PRNet: Self-Supervised Learning for Partial-to-Partial Registration

Yue Wang
Justin Solomon

We present a simple, flexible, and general framework titled Partial Registration Network (PRNet), for partial-to-partial point cloud registration. Inspired by recently-proposed learning-based methods for registration, we use deep networks to tackle non-convexity of the alignment and partial correspondence problem. While previous learning-based methods assume the entire shape is visible, PRNet is suitable for partial-to-partial registration, outperforming PointNetLK, DCP, and non-learning methods on synthetic data. PRNet is self-supervised, jointly learning an appropriate geometric representation, a keypoint detector that finds points in common between partial views, and keypoint-to-keypoint correspondences. We show PRNet predicts keypoints and correspondences consistently across views and objects. Furthermore, the learned representation is transferable to classification.

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NeurIPS Conference 2017 Conference Paper

Parallel Streaming Wasserstein Barycenters

Matthew Staib
Sebastian Claici
Justin Solomon
Stefanie Jegelka

Efficiently aggregating data from different sources is a challenging problem, particularly when samples from each source are distributed differently. These differences can be inherent to the inference task or present for other reasons: sensors in a sensor network may be placed far apart, affecting their individual measurements. Conversely, it is computationally advantageous to split Bayesian inference tasks across subsets of data, but data need not be identically distributed across subsets. One principled way to fuse probability distributions is via the lens of optimal transport: the Wasserstein barycenter is a single distribution that summarizes a collection of input measures while respecting their geometry. However, computing the barycenter scales poorly and requires discretization of all input distributions and the barycenter itself. Improving on this situation, we present a scalable, communication-efficient, parallel algorithm for computing the Wasserstein barycenter of arbitrary distributions. Our algorithm can operate directly on continuous input distributions and is optimized for streaming data. Our method is even robust to nonstationary input distributions and produces a barycenter estimate that tracks the input measures over time. The algorithm is semi-discrete, needing to discretize only the barycenter estimate. To the best of our knowledge, we also provide the first bounds on the quality of the approximate barycenter as the discretization becomes finer. Finally, we demonstrate the practical effectiveness of our method, both in tracking moving distributions on a sphere, as well as in a large-scale Bayesian inference task.

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