C.3 Other Differences Besides the above discussion, there are some other differences between Daniely [12] and our work. First, they analyze SGD, and we analyze a constrained optimization problem and projected SGD. This may be the reason why we can get a stronger bound on width. In the experiments in Section 5, we observe that SGD performs badly when the width is small (see the first left column in (b), Figure 4). Therefore, we suspect an algorithmic change is needed to train narrow nets with such width (due to the training difficulty), and we indeed propose a new method to train narrow nets. Second, they consider binary {+1, 1}dataset, while our results apply to arbitrary labels. In addition, their proof seems to be highly dependent on the fact that the labels are {+1, 1}, and seems hard to generalize to general labels.

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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 majority of existing multimodal sequential learning methods focus on how to obtain powerful individual representations and neglect to effectively capture the multimodal joint representation. Bilinear attention network (BAN) is a commonly used integration method, which leverages tensor operations to associate the features of different modalities. However, BAN has a poor compatibility for more modalities, since the computational complexity of the attention map increases exponentially with the number of modalities. Based on this concern, we propose a new method called generalizable multi-linear attention network (MAN), which can associate more modalities in acceptable complexity with hierarchical approximation decomposition. Specifically, considering the fact that softmax attention kernels cannot be decomposed as linear operation directly, we adopt the addition random features mechanism to approximate the non-linear softmax functions with enough theoretical analysis. Furthermore, we also introduce the local sequential constraints, which can be combined with ARF conveniently, as positional information. We conduct extensive experiments on several datasets of corresponding tasks, the experimental results show that MAN could achieve competitive results compared with baseline methods, showcasing the effectiveness of our contributions.

Learning classifiers that are robust to adversarial examples has received a great deal of recent attention. A major drawback of the standard robust learning framework is there is an artificial robustness radius r that applies to all inputs. This ignores the fact that data may be highly heterogeneous, in which case it is plausible that robustness regions should be larger in some regions of data, and smaller in others. In this paper, we address this limitation by proposing a new limit classifier, called the neighborhood optimal classifier, that extends the Bayes optimal classifier outside its support by using the label of the closest in-support point. We then argue that this classifier maximizes the size of its robustness regions subject to the constraint of having accuracy equal to the Bayes optimal. We then present sufficient conditions under which general non-parametric methods that can be represented as weight functions converge towards this limit, and show that both nearest neighbors and kernel classifiers satisfy them under certain conditions.