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Sam Buchanan

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9 papers

2 author rows

NeurIPS Conference 2025 Conference Paper

Beyond Scores: Proximal Diffusion Models

Zhenghan Fang
Mateo Diaz
Sam Buchanan
Jeremias Sulam

Diffusion models have quickly become some of the most popular and powerful generative models for high-dimensional data. The key insight that enabled their development was the realization that access to the score---the gradient of the log-density at different noise levels---allows for sampling from data distributions by solving a reverse-time stochastic differential equation (SDE) via forward discretization, and that popular denoisers allow for unbiased estimators of this score. In this paper, we demonstrate that an alternative, backward discretization of these SDEs, using proximal maps in place of the score, leads to theoretical and practical benefits. We leverage recent results in _proximal matching_ to learn proximal operators of the log-density and, with them, develop Proximal Diffusion Models (`ProxDM`). Theoretically, we prove that $\widetilde{\mathcal O}(d/\sqrt{\varepsilon})$ steps suffice for the resulting discretization to generate an $\varepsilon$-accurate distribution w. r. t. the KL divergence. Empirically, we show that two variants of `ProxDM` achieve significantly faster convergence within just a few sampling steps compared to conventional score-matching methods.

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NeurIPS Conference 2025 Conference Paper

On the Edge of Memorization in Diffusion Models

Sam Buchanan
Druv Pai
Yi Ma
Valentin De Bortoli

When do diffusion models reproduce their training data, and when are they able to generate samples beyond it? A practically relevant theoretical understanding of this interplay between memorization and generalization may significantly impact real-world deployments of diffusion models with respect to issues such as copyright infringement and data privacy. In this paper, we propose a scientific and mathematical “laboratory” for investigating memorization and generalization in diffusion models trained on fully synthetic or natural image-like structured data. Within this setting, we theoretically characterize a crossover point wherein the weighted training loss of a fully generalizing model becomes greater than that of an underparameterized memorizing model at a critical value of model (under)parameterization. We then demonstrate via carefully-designed experiments that the location of this crossover predicts a phase transition in diffusion models trained via gradient descent, as our theory enables us to analytically predict the model size at which memorization becomes predominant. Our work provides an analytically tractable and practically meaningful setting for future theoretical and empirical investigations. Code for our experiments is available at https: //github. com/DruvPai/diffusion mem gen.

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ICLR Conference 2024 Conference Paper

Masked Completion via Structured Diffusion with White-Box Transformers

Druv Pai
Sam Buchanan
Ziyang Wu
Yaodong Yu
Yi Ma 0001

Modern learning frameworks often train deep neural networks with massive amounts of unlabeled data to learn representations by solving simple pretext tasks, then use the representations as foundations for downstream tasks. These networks are empirically designed; as such, they are usually not interpretable, their representations are not structured, and their designs are potentially redundant. White-box deep networks, in which each layer explicitly identifies and transforms structures in the data, present a promising alternative. However, existing white-box architectures have only been shown to work at scale in supervised settings with labeled data, such as classification. In this work, we provide the first instantiation of the white-box design paradigm that can be applied to large-scale unsupervised representation learning. We do this by exploiting a fundamental connection between diffusion, compression, and (masked) completion, deriving a deep transformer-like masked autoencoder architecture, called CRATE-MAE, in which the role of each layer is mathematically fully interpretable: they transform the data distribution to and from a structured representation. Extensive empirical evaluations confirm our analytical insights. CRATE-MAE demonstrates highly promising performance on large-scale imagery datasets while using only ~30% of the parameters compared to the standard masked autoencoder with the same model configuration. The representations learned by CRATE-MAE have explicit structure and also contain semantic meaning.

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ICLR Conference 2024 Conference Paper

What's in a Prior? Learned Proximal Networks for Inverse Problems

Zhenghan Fang
Sam Buchanan
Jeremias Sulam

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop *learned proximal networks* (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed *proximal matching*, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

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JMLR Journal 2024 Journal Article

White-Box Transformers via Sparse Rate Reduction: Compression Is All There Is?

Yaodong Yu
Sam Buchanan
Druv Pai
Tianzhe Chu
Ziyang Wu
Shengbang Tong
Hao Bai
Yuexiang Zhai

In this paper, we contend that a natural objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a low-dimensional Gaussian mixture supported on incoherent subspaces. The goodness of such a representation can be evaluated by a principled measure, called sparse rate reduction, that simultaneously maximizes the intrinsic information gain and extrinsic sparsity of the learned representation. From this perspective, popular deep network architectures, including transformers, can be viewed as realizing iterative schemes to optimize this measure. Particularly, we derive a transformer block from alternating optimization on parts of this objective: the multi-head self-attention operator compresses the representation by implementing an approximate gradient descent step on the coding rate of the features, and the subsequent multi-layer perceptron sparsifies the features. This leads to a family of white-box transformer-like deep network architectures, named CRATE, which are mathematically fully interpretable. We show, by way of a novel connection between denoising and compression, that the inverse to the aforementioned compressive encoding can be realized by the same class of CRATE architectures. Thus, the so-derived white-box architectures are universal to both encoders and decoders. Experiments show that these networks, despite their simplicity, indeed learn to compress and sparsify representations of large-scale real-world image and text datasets, and achieve strong performance across different settings: ViT, MAE, DINO, BERT, and GPT2. We believe the proposed computational framework demonstrates great potential in bridging the gap between theory and practice of deep learning, from a unified perspective of data compression. [abs] [ pdf ][ bib ] [ code ] &copy JMLR 2024. ( edit, beta )

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NeurIPS Conference 2023 Conference Paper

White-Box Transformers via Sparse Rate Reduction

Yaodong Yu
Sam Buchanan
Druv Pai
Tianzhe Chu
Ziyang Wu
Shengbang Tong
Benjamin Haeffele
Yi Ma

In this paper, we contend that the objective of representation learning is to compress and transform the distribution of the data, say sets of tokens, towards a mixture of low-dimensional Gaussian distributions supported on incoherent subspaces. The quality of the final representation can be measured by a unified objective function called sparse rate reduction. From this perspective, popular deep networks such as transformers can be naturally viewed as realizing iterative schemes to optimize this objective incrementally. Particularly, we show that the standard transformer block can be derived from alternating optimization on complementary parts of this objective: the multi-head self-attention operator can be viewed as a gradient descent step to compress the token sets by minimizing their lossy coding rate, and the subsequent multi-layer perceptron can be viewed as attempting to sparsify the representation of the tokens. This leads to a family of white-box transformer-like deep network architectures which are mathematically fully interpretable. Despite their simplicity, experiments show that these networks indeed learn to optimize the designed objective: they compress and sparsify representations of large-scale real-world vision datasets such as ImageNet, and achieve performance very close to thoroughly engineered transformers such as ViT. Code is at https: //github. com/Ma-Lab-Berkeley/CRATE.

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ICLR Conference 2021 Conference Paper

Deep Networks and the Multiple Manifold Problem

Sam Buchanan
Dar Gilboa
John Wright 0001

We study the multiple manifold problem, a binary classification task modeled on applications in machine vision, in which a deep fully-connected neural network is trained to separate two low-dimensional submanifolds of the unit sphere. We provide an analysis of the one-dimensional case, proving for a simple manifold configuration that when the network depth $L$ is large relative to certain geometric and statistical properties of the data, the network width $n$ grows as a sufficiently large polynomial in $L$, and the number of i.i.d. samples from the manifolds is polynomial in $L$, randomly-initialized gradient descent rapidly learns to classify the two manifolds perfectly with high probability. Our analysis demonstrates concrete benefits of depth and width in the context of a practically-motivated model problem: the depth acts as a fitting resource, with larger depths corresponding to smoother networks that can more readily separate the class manifolds, and the width acts as a statistical resource, enabling concentration of the randomly-initialized network and its gradients. The argument centers around the "neural tangent kernel" of Jacot et al. and its role in the nonasymptotic analysis of training overparameterized neural networks; to this literature, we contribute essentially optimal rates of concentration for the neural tangent kernel of deep fully-connected ReLU networks, requiring width $n \geq L\,\mathrm{poly}(d_0)$ to achieve uniform concentration of the initial kernel over a $d_0$-dimensional submanifold of the unit sphere $\mathbb{S}^{n_0-1}$, and a nonasymptotic framework for establishing generalization of networks trained in the "NTK regime" with structured data. The proof makes heavy use of martingale concentration to optimally treat statistical dependencies across layers of the initial random network. This approach should be of use in establishing similar results for other network architectures.

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NeurIPS Conference 2021 Conference Paper

Deep Networks Provably Classify Data on Curves

Tingran Wang
Sam Buchanan
Dar Gilboa
John Wright

Data with low-dimensional nonlinear structure are ubiquitous in engineering and scientific problems. We study a model problem with such structure---a binary classification task that uses a deep fully-connected neural network to classify data drawn from two disjoint smooth curves on the unit sphere. Aside from mild regularity conditions, we place no restrictions on the configuration of the curves. We prove that when (i) the network depth is large relative to certain geometric properties that set the difficulty of the problem and (ii) the network width and number of samples is polynomial in the depth, randomly-initialized gradient descent quickly learns to correctly classify all points on the two curves with high probability. To our knowledge, this is the first generalization guarantee for deep networks with nonlinear data that depends only on intrinsic data properties. Our analysis proceeds by a reduction to dynamics in the neural tangent kernel (NTK) regime, where the network depth plays the role of a fitting resource in solving the classification problem. In particular, via fine-grained control of the decay properties of the NTK, we demonstrate that when the network is sufficiently deep, the NTK can be locally approximated by a translationally invariant operator on the manifolds and stably inverted over smooth functions, which guarantees convergence and generalization.

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ICML Conference 2019 Conference Paper

Efficient Dictionary Learning with Gradient Descent

Dar Gilboa
Sam Buchanan
John Wright 0001

Randomly initialized first-order optimization algorithms are the method of choice for solving many high-dimensional nonconvex problems in machine learning, yet general theoretical guarantees cannot rule out convergence to critical points of poor objective value. For some highly structured nonconvex problems however, the success of gradient descent can be understood by studying the geometry of the objective. We study one such problem – complete orthogonal dictionary learning, and provide converge guarantees for randomly initialized gradient descent to the neighborhood of a global optimum. The resulting rates scale as low order polynomials in the dimension even though the objective possesses an exponential number of saddle points. This efficient convergence can be viewed as a consequence of negative curvature normal to the stable manifolds associated with saddle points, and we provide evidence that this feature is shared by other nonconvex problems of importance as well.

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