Sam Buchanan

Yaodong Yu, Sam Buchanan, Druv Pai et al.

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 \url{https://github.com/Ma-Lab-Berkeley/CRATE}.

Yaodong Yu, Tianzhe Chu, Shengbang Tong et al.

Transformer-like models for vision tasks have recently proven effective for a wide range of downstream applications such as segmentation and detection. Previous works have shown that segmentation properties emerge in vision transformers (ViTs) trained using self-supervised methods such as DINO, but not in those trained on supervised classification tasks. In this study, we probe whether segmentation emerges in transformer-based models solely as a result of intricate self-supervised learning mechanisms, or if the same emergence can be achieved under much broader conditions through proper design of the model architecture. Through extensive experimental results, we demonstrate that when employing a white-box transformer-like architecture known as CRATE, whose design explicitly models and pursues low-dimensional structures in the data distribution, segmentation properties, at both the whole and parts levels, already emerge with a minimalistic supervised training recipe. Layer-wise finer-grained analysis reveals that the emergent properties strongly corroborate the designed mathematical functions of the white-box network. Our results suggest a path to design white-box foundation models that are simultaneously highly performant and mathematically fully interpretable. Code is at \url{https://github.com/Ma-Lab-Berkeley/CRATE}.

Yaodong Yu, Sam Buchanan, Druv Pai et al.

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 performance very close to highly engineered transformer-based models: 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. Code is available at: https://ma-lab-berkeley.github.io/CRATE .

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.

Sam Buchanan, Jingkai Yan, Ellie Haber et al.

Achieving invariance to nuisance transformations is a fundamental challenge in the construction of robust and reliable vision systems. Existing approaches to invariance scale exponentially with the dimension of the family of transformations, making them unable to cope with natural variabilities in visual data such as changes in pose and perspective. We identify a common limitation of these approaches--they rely on sampling to traverse the high-dimensional space of transformations--and propose a new computational primitive for building invariant networks based instead on optimization, which in many scenarios provides a provably more efficient method for high-dimensional exploration than sampling. We provide empirical and theoretical corroboration of the efficiency gains and soundness of our proposed method, and demonstrate its utility in constructing an efficient invariant network for a simple hierarchical object detection task when combined with unrolled optimization. Code for our networks and experiments is available at https://github.com/sdbuch/refine.

Arnuv Tandon, Karan Dalal, Xinhao Li et al.

We formulate long-context language modeling as a problem in continual learning rather than architecture design. Under this formulation, we only use a standard architecture -- a Transformer with sliding-window attention. However, our model continues learning at test time via next-token prediction on the given context, compressing the context it reads into its weights. In addition, we improve the model's initialization for learning at test time via meta-learning at training time. Overall, our method, a form of Test-Time Training (TTT), is End-to-End (E2E) both at test time (via next-token prediction) and training time (via meta-learning), in contrast to previous forms. We conduct extensive experiments with a focus on scaling properties. In particular, for 3B models trained with 164B tokens, our method (TTT-E2E) scales with context length in the same way as Transformer with full attention, while others, such as Mamba 2 and Gated DeltaNet, do not. However, similar to RNNs, TTT-E2E has constant inference latency regardless of context length, making it 2.7 times faster than full attention for 128K context. Our code is publicly available.

Druv Pai, Ziyang Wu, Sam Buchanan et al.

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. Code is available at https://github.com/Ma-Lab-Berkeley/CRATE .

Zhenghan Fang, Mateo Díaz, Sam Buchanan et al.

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 $\widetilde{O}(d/\sqrt{\varepsilon})$ 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.