pmlr
There Will Be a Scientific Theory of Deep Learning
Simon, Jamie, Kunin, Daniel, Atanasov, Alexander, Boix-Adserà, Enric, Bordelon, Blake, Cohen, Jeremy, Ghosh, Nikhil, Guth, Florentin, Jacot, Arthur, Kamb, Mason, Karkada, Dhruva, Michaud, Eric J., Ottlik, Berkan, Turnbull, Joseph
In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.
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Adversarial Label Invariant Graph Data Augmentations for Out-of-Distribution Generalization
Zhang, Simon, DeMilt, Ryan P., Jin, Kun, Xia, Cathy H.
Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of distribution shift that occurs only in the input data, while the concept distribution stays invariant. We propose RIA - Regularization for Invariance with Adversarial training, a new method for OoD generalization under convariate shift. Motivated by an analogy to $Q$-learning, it performs an adversarial exploration for counterfactual data environments. These new environments are induced by adversarial label invariant data augmentations that prevent a collapse to an in-distribution trained learner. It works with many existing OoD generalization methods for covariate shift that can be formulated as constrained optimization problems. We develop an alternating gradient descent-ascent algorithm to solve the problem in the context of causally generated graph data, and perform extensive experiments on OoD graph classification for various kinds of synthetic and natural distribution shifts. We demonstrate that our method can achieve high accuracy compared with OoD baselines.
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Generalization at the Edge of Stability
Tuci, Mario, Korkmaz, Caner, Şimşekli, Umut, Birdal, Tolga
Training modern neural networks often relies on large learning rates, operating at the edge of stability, where the optimization dynamics exhibit oscillatory and chaotic behavior. Empirically, this regime often yields improved generalization performance, yet the underlying mechanism remains poorly understood. In this work, we represent stochastic optimizers as random dynamical systems, which often converge to a fractal attractor set (rather than a point) with a smaller intrinsic dimension. Building on this connection and inspired by Lyapunov dimension theory, we introduce a novel notion of dimension, coined the `sharpness dimension', and prove a generalization bound based on this dimension. Our results show that generalization in the chaotic regime depends on the complete Hessian spectrum and the structure of its partial determinants, highlighting a complexity that cannot be captured by the trace or spectral norm considered in prior work. Experiments across various MLPs and transformers validate our theory while also providing new insights into the recently observed phenomenon of grokking.
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DARLING: Detection Augmented Reinforcement Learning with Non-Stationary Guarantees
Gerogiannis, Argyrios, Huang, Yu-Han, Veeravalli, Venugopal V.
We study model-free reinforcement learning (RL) in non-stationary finite-horizon episodic Markov decision processes (MDPs) without prior knowledge of the non-stationarity. We focus on the piecewise-stationary (PS) setting, where both the reward and transition dynamics can change an arbitrary number of times. We propose Detection Augmented Reinforcement Learning (DARLING), a modular wrapper for PS-RL that applies to both tabular and linear MDPs, without knowledge of the changes. Under certain change-point separation and reachability conditions, DARLING improves the best available dynamic regret bounds in both settings and yields strong empirical performance. We further establish the first minimax lower bounds for PS-RL in tabular and linear MDPs, showing that DARLING is the first nearly optimal algorithm. Experiments on standard benchmarks demonstrate that DARLING consistently surpasses the state-of-the-art methods across diverse non-stationary scenarios.
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Offline-Online Reinforcement Learning for Linear Mixture MDPs
Zhang, Zhongjun, Sinclair, Sean R.
We study offline-online reinforcement learning in linear mixture Markov decision processes (MDPs) under environment shift. In the offline phase, data are collected by an unknown behavior policy and may come from a mismatched environment, while in the online phase the learner interacts with the target environment. We propose an algorithm that adaptively leverages offline data. When the offline data are informative, either due to sufficient coverage or small environment shift, the algorithm provably improves over purely online learning. When the offline data are uninformative, it safely ignores them and matches the online-only performance. We establish regret upper bounds that explicitly characterize when offline data are beneficial, together with nearly matching lower bounds. Numerical experiments further corroborate our theoretical findings.
Sharp description of local minima in the loss landscape of high-dimensional two-layer ReLU neural networks
Huang, Jie, Loureiro, Bruno, Mannelli, Stefano Sarao
We study the population loss landscape of two-layer ReLU networks of the form $\sum_{k=1}^K \mathrm{ReLU}(w_k^\top x)$ in a realisable teacher-student setting with Gaussian covariates. We show that local minima admit an exact low-dimensional representation in terms of summary statistics, yielding a sharp and interpretable characterisation of the landscape. We further establish a direct link with one-pass SGD: local minima correspond to attractive fixed points of the dynamics in summary statistics space. This perspective reveals a hierarchical structure of minima: they are typically isolated in the well-specified regime, but become connected by flat directions as network width increases. In this overparameterised regime, global minima become increasingly accessible, attracting the dynamics and reducing convergence to spurious solutions. Overall, our results reveal intrinsic limitations of common simplifying assumptions, which may miss essential features of the loss landscape even in minimal neural network models.
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Order-Optimal Sequential 1-Bit Mean Estimation in General Tail Regimes
In this paper, we study the problem of mean estimation under strict 1-bit communication constraints. We propose a novel adaptive mean estimator based solely on randomized threshold queries, where each 1-bit outcome indicates whether a given sample exceeds a sequentially chosen threshold. Our estimator is $(ε, δ)$-PAC for any distribution with a bounded mean $μ\in [-λ, λ]$ and a bounded $k$-th central moment $\mathbb{E}[|X-μ|^k] \le σ^k$ for any fixed $k > 1$. Crucially, our sample complexity is order-optimal in all such tail regimes, i.e., for every such $k$ value. For $k \neq 2$, our estimator's sample complexity matches the unquantized minimax lower bounds plus an unavoidable $O(\log(λ/σ))$ localization cost. For the finite-variance case ($k=2$), our estimator's sample complexity has an extra multiplicative $O(\log(σ/ε))$ penalty, and we establish a novel information-theoretic lower bound showing that this penalty is a fundamental limit of 1-bit quantization. We also establish a significant adaptivity gap: for both threshold queries and more general interval queries, the sample complexity of any non-adaptive estimator must scale linearly with the search space parameter $λ/σ$, rendering it vastly less sample efficient than our adaptive approach. Finally, we present algorithmic variants that (i) handle an unknown sampling budget, (ii) adapt to an unknown scale parameter~$σ$ given (possibly loose) bounds, and (iii) require only two stages of adaptivity at the expense of more complicated general 1-bit queries.
Optimistic Actor-Critic with Parametric Policies for Linear Markov Decision Processes
Lin, Max Qiushi, Asad, Reza, Tan, Kevin, Ishfaq, Haque, Szepesvari, Csaba, Vaswani, Sharan
Although actor-critic methods have been successful in practice, their theoretical analyses have several limitations. Specifically, existing theoretical work either sidesteps the exploration problem by making strong assumptions or analyzes impractical methods with complicated algorithmic modifications. Moreover, the actor-critic methods analyzed for linear MDPs often employ natural policy gradient and construct "implicit" policies without explicit parameterization. Such policies are computationally expensive to sample from, making the environment interactions inefficient. To that end, we focus on the finite-horizon linear MDPs and propose an optimistic actor-critic framework that uses parametric log-linear policies. In particular, we introduce a tractable $\textit{logit-matching}$ regression objective for the actor. For the critic, we use approximate Thompson sampling via Langevin Monte Carlo to obtain optimistic value estimates. We prove that the resulting algorithm achieves $\widetilde{\mathcal{O}}(ε^{-4})$ and $\widetilde{\mathcal{O}}(ε^{-2})$ sample complexity in the on-policy and off-policy setting, respectively. Our results match prior theoretical work in achieving the state-of-the-art sample complexity, while our algorithm is more aligned with practice.
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Parameter-Free Dynamic Regret for Unconstrained Linear Bandits
Rumi, Alberto, Jacobsen, Andrew, Cesa-Bianchi, Nicolò, Vitale, Fabio
We study dynamic regret minimization in unconstrained adversarial linear bandit problems. In this setting, a learner must minimize the cumulative loss relative to an arbitrary sequence of comparators $\boldsymbol{u}_1,\ldots,\boldsymbol{u}_T$ in $\mathbb{R}^d$, but receives only point-evaluation feedback on each round. We provide a simple approach to combining the guarantees of several bandit algorithms, allowing us to optimally adapt to the number of switches $S_T = \sum_t\mathbb{I}\{\boldsymbol{u}_t \neq \boldsymbol{u}_{t-1}\}$ of an arbitrary comparator sequence. In particular, we provide the first algorithm for linear bandits achieving the optimal regret guarantee of order $\mathcal{O}\big(\sqrt{d(1+S_T) T}\big)$ up to poly-logarithmic terms without prior knowledge of $S_T$, thus resolving a long-standing open problem.
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- Information Technology > Artificial Intelligence > Machine Learning (1.00)
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