Convolutional neural networks perform a local and translationally-invariant treatment of the data: quantifying which of these two aspects is central to their success remains a challenge. We study this problem within a teacher-student framework for kernel regression, using'convolutional' kernels inspired by the neural tangent kernel of simple convolutional architectures of given filter size. Using heuristic methods from physics, we find in the ridgeless case that locality is key in determining the learning curve exponent β (that relates the test error t P β to the size of the training set P), whereas translational invariance is not. In particular, if the filter size of the teacher tis smaller than that of the student s, β is a function of s only and does not depend on the input dimension. We confirm our predictions on β empirically. We conclude by proving, under a natural universality assumption, that performing kernel regression with a ridge that decreases with the size of the training set leads to similar learning curve exponents to those we obtain in the ridgeless case.

We study social learning dynamics motivated by reviews on online platforms. The agents collectively follow a simple multi-armed bandit protocol, but each agent acts myopically, without regards to exploration. We allow a wide range of myopic behaviors that are consistent with (parameterized) confidence intervals for the arms' expected rewards. We derive stark exploration failures for any such behavior, and provide matching positive results. As a special case, we obtain the first general results on failure of the greedy algorithm in bandits, thus providing a theoretical foundation for why bandit algorithms should explore.1

Inverse protein folding is challenging due to its inherent one-to-many mapping characteristic, where numerous possible amino acid sequences can fold into a single, identical protein backbone. This task involves not only identifying viable sequences but also representing the sheer diversity of potential solutions. However, existing discriminative models, such as transformer-based auto-regressive models, struggle to encapsulate the diverse range of plausible solutions. In contrast, diffusion probabilistic models, as an emerging genre of generative approaches, offer the potential to generate a diverse set of sequence candidates for determined protein backbones. We propose a novel graph denoising diffusion model for inverse protein folding, where a given protein backbone guides the diffusion process on the corresponding amino acid residue types. The model infers the joint distribution of amino acids conditioned on the nodes' physiochemical properties and local environment. Moreover, we utilize amino acid replacement matrices for the diffusion forward process, encoding the biologically meaningful prior knowledge of amino acids from their spatial and sequential neighbors as well as themselves, which reduces the sampling space of the generative process. Our model achieves state-of-the-art performance over a set of popular baseline methods in sequence recovery and exhibits great potential in generating diverse protein sequences for a determined protein backbone structure.

Adaptive gradient methods have shown excellent performances for solving many machine learning problems. Although multiple adaptive gradient methods were recently studied, they mainly focus on either empirical or theoretical aspects and also only work for specific problems by using some specific adaptive learning rates. Thus, it is desired to design a universal framework for practical algorithms of adaptive gradients with theoretical guarantee to solve general problems. To fill this gap, we propose a faster and universal framework of adaptive gradients (i.e., SUPER-ADAM) by introducing a universal adaptive matrix that includes most existing adaptive gradient forms. Moreover, our framework can flexibly integrate the momentum and variance reduced techniques. In particular, our novel framework provides the convergence analysis support for adaptive gradient methods under the nonconvex setting. In theoretical analysis, we prove that our SUPER-ADAM algorithm can achieve the best known gradient (i.e., stochastic first-order oracle (SFO)) complexity of O( 3) for finding an -stationary point of nonconvex optimization, which matches the lower bound for stochastic smooth nonconvex optimization. In numerical experiments, we employ various deep learning tasks to validate that our algorithm consistently outperforms the existing adaptive algorithms.

The tremendous success of large models trained on extensive datasets demonstrates that scale is a key ingredient in achieving superior results. Therefore, the reflection on the rationality of designing knowledge distillation (KD) approaches for limited-capacity architectures solely based on small-scale datasets is now deemed imperative. In this paper, we identify the small data pitfall that presents in previous KD methods, which results in the underestimation of the power of vanilla KD framework on large-scale datasets such as ImageNet-1K. Specifically, we show that employing stronger data augmentation techniques and using larger datasets can directly decrease the gap between vanilla KD and other meticulously designed KD variants. This highlights the necessity of designing and evaluating KD approaches in the context of practical scenarios, casting off the limitations of small-scale datasets. Our investigation of the vanilla KD and its variants in more complex schemes, including stronger training strategies and different model capacities, demonstrates that vanilla KD is elegantly simple but astonishingly effective in large-scale scenarios. Without bells and whistles, we obtain state-of-the-art ResNet50, ViT-S, and ConvNeXtV2-T models for ImageNet, which achieve 83.1%, 84.3%, and 85.0% top-1 accuracy, respectively.