Transformation-Invariant Learning and Theoretical Guarantees for OOD Generalization

Learning with identical train and test distributions has been extensively investigated both practically and theoretically. Much remains to be understood, however, in statistical learning under distribution shifts. This paper focuses on a distribution shift setting where train and test distributions can be related by classes of (data) transformation maps. We initiate a theoretical study for this framework, investigating learning scenarios where the target class of transformations is either known or unknown. We establish learning rules and algorithmic reductions to Empirical Risk Minimization (ERM), accompanied with learning guarantees. We obtain upper bounds on the sample complexity in terms of the VC dimension of the class composing predictors with transformations, which we show in many cases is not much larger than the VC dimension of the class of predictors. We highlight that the learning rules we derive offer a game-theoretic viewpoint on distribution shift: a learner searching for predictors and an adversary searching for transformation maps to respectively minimize and maximize the worst-case loss.

Visual Scratchpads: Enabling Global Reasoning in Vision

Modern vision models have achieved remarkable success in benchmarks where local features provide critical information about the target. There is now a growing interest in solving tasks that require more global reasoning, where local features offer no significant information. These tasks are reminiscent of the connectivity tasks discussed by Minsky and Papert in 1969, which exposed the limitations of the perceptron model and contributed to the first AI winter. In this paper, we revisit such tasks by introducing four global visual benchmarks involving path findings and mazes. We show that: (1) although today's large vision models largely surpass the expressivity limitations of the early models, they still struggle with the learning efficiency; we put forward the "globality degree" notion to understand this limitation; (2) we then demonstrate that the picture changes and global reasoning becomes feasible with the introduction of "visual scratchpads"; similarly to the text scratchpads and chain-of-thoughts used in language models, visual scratchpads help break down global tasks into simpler ones; (3) we finally show that some scratchpads are better than others, in particular, "inductive scratchpads" that take steps relying on less information afford better out-of-distribution generalization and succeed for smaller model sizes.

How Far Can Transformers Reason? The Locality Barrier and Inductive Scratchpad

Can Transformers predict new syllogisms by composing established ones? More generally, what type of targets can be learned by such models from scratch? Recent works show that Transformers can be Turing-complete in terms of expressivity, but this does not address the learnability objective. This paper puts forward the notion of 'distribution locality' to capture when weak learning is efficiently achievable by regular Transformers, where the locality measures the least number of tokens required in addition to the tokens histogram to correlate nontrivially with the target. As shown experimentally and theoretically under additional assumptions, distributions with high locality cannot be learned efficiently. In particular, syllogisms cannot be composed on long chains. Furthermore, we show that (i) an agnostic scratchpad cannot help to break the locality barrier, (ii) an educated scratchpad can help if it breaks the locality at each step, (iii) a notion of 'inductive scratchpad' can both break the locality and improve the out-of-distribution generalization, e.g., generalizing to almost double input size for some arithmetic tasks.

On the Minimal Degree Bias in Generalization on the Unseen for non-Boolean Functions

We investigate the out-of-domain generalization of random feature (RF) models and Transformers. We first prove that in the `generalization on the unseen (GOTU)' setting, where training data is fully seen in some part of the domain but testing is made on another part, and for RF models in the small feature regime, the convergence takes place to interpolators of minimal degree as in the Boolean case (Abbe et al., 2023). We then consider the sparse target regime and explain how this regime relates to the small feature regime, but with a different regularization term that can alter the picture in the non-Boolean case. We show two different outcomes for the sparse regime with q-ary data tokens: (1) if the data is embedded with roots of unities, then a min-degree interpolator is learned like in the Boolean case for RF models, (2) if the data is not embedded as such, e.g., simply as integers, then RF models and Transformers may not learn minimal degree interpolators. This shows that the Boolean setting and its roots of unities generalization are special cases where the minimal degree interpolator offers a rare characterization of how learning takes place. For more general integer and real-valued settings, a more nuanced picture remains to be fully characterized.

When can transformers reason with abstract symbols?

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

Provable Advantage of Curriculum Learning on Parity Targets with Mixed Inputs

Experimental results have shown that curriculum learning, i.e., presenting simpler examples before more complex ones, can improve the efficiency of learning. Some recent theoretical results also showed that changing the sampling distribution can help neural networks learn parities, with formal results only for large learning rates and one-step arguments. Here we show a separation result in the number of training steps with standard (bounded) learning rates on a common sample distribution: if the data distribution is a mixture of sparse and dense inputs, there exists a regime in which a 2-layer ReLU neural network trained by a curriculum noisy-GD (or SGD) algorithm that uses sparse examples first, can learn parities of sufficiently large degree, while any fully connected neural network of possibly larger width or depth trained by noisy-GD on the unordered samples cannot learn without additional steps. We also provide experimental results supporting the qualitative separation beyond the specific regime of the theoretical results.

Transformers learn through gradual rank increase

We identify incremental learning dynamics in transformers, where the difference between trained and initial weights progressively increases in rank. We rigorously prove this occurs under the simplifying assumptions of diagonal weight matrices and small initialization. Our experiments support the theory and also show that phenomenon can occur in practice without the simplifying assumptions.

SGD learning on neural networks: leap complexity and saddle-to-saddle dynamics

We investigate the time complexity of SGD learning on fully-connected neural networks with isotropic data. We put forward a complexity measure -- the leap -- which measures how "hierarchical" target functions are. For $d$-dimensional uniform Boolean or isotropic Gaussian data, our main conjecture states that the time complexity to learn a function $f$ with low-dimensional support is $\tilde\Theta (d^{\max(\mathrm{Leap}(f),2)})$. We prove a version of this conjecture for a class of functions on Gaussian isotropic data and 2-layer neural networks, under additional technical assumptions on how SGD is run. We show that the training sequentially learns the function support with a saddle-to-saddle dynamic. Our result departs from [Abbe et al. 2022] by going beyond leap 1 (merged-staircase functions), and by going beyond the mean-field and gradient flow approximations that prohibit the full complexity control obtained here. Finally, we note that this gives an SGD complexity for the full training trajectory that matches that of Correlational Statistical Query (CSQ) lower-bounds.

Generalization on the Unseen, Logic Reasoning and Degree Curriculum

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

On the non-universality of deep learning: quantifying the cost of symmetry

We prove computational limitations for learning with neural networks trained by noisy gradient descent (GD). Our result applies whenever GD training is equivariant (true for many standard architectures), and quantifies the alignment needed between architectures and data in order for GD to learn. As applications, (i) we characterize the functions that fully-connected networks can weak-learn on the binary hypercube and unit sphere, demonstrating that depth-2 is as powerful as any other depth for this task; (ii) we extend the merged-staircase necessity result for learning with latent low-dimensional structure [ABM22] to beyond the mean-field regime. Our techniques extend to stochastic gradient descent (SGD), for which we show nontrivial hardness results for learning with fully-connected networks, based on cryptographic assumptions.