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To accelerate and compress deep neural networks (DNNs), many network quantization algorithms have been proposed. Although the quantization strategy of any algorithm from the state-of-the-arts may outperform others in some network architectures, it is hard to prove the strategy is always better than others, and even cannot judge that the strategy is always the best choice for all layers in a network. In other words, existing quantization algorithms are suboptimal as they ignore the different characteristics of different layers and quantize all layers by a uniform quantization strategy. To solve the issue, in this paper, we propose a differentiable quantization strategy search (DQSS) to assign optimal quantization strategy for individual layer by taking advantages of the benefits of different quantization algorithms. Specifically, we formulate DQSS as a differentiable neural architecture search problem and adopt an efficient convolution to efficiently explore the mixed quantization strategies from a global perspective by gradient-based optimization. We conduct DQSS for post-training quantization to enable their performance to be comparable with that in full precision models. We also employ DQSS in quantization-aware training for further validating the effectiveness of DQSS. To circumvent the expensive optimization cost when employing DQSS in quantization-aware training, we update the hyper-parameters and the network parameters in a single forward-backward pass. Besides, we adjust the optimization process to avoid the potential under-fitting problem. Comprehensive experiments on high level computer vision task, i.e., image classification, and low level computer vision task, i.e., image super-resolution, with various network architectures show that DQSS could outperform the state-of-the-arts.

In distributed deep learning with data parallelism, synchronizing gradients at each training step can cause a huge communication overhead, especially when many nodes work together to train large models. Local gradient methods, such as Local SGD, address this issue by allowing workers to compute locally for $H$ steps without synchronizing with others, hence reducing communication frequency. While $H$ has been viewed as a hyperparameter to trade optimization efficiency for communication cost, recent research indicates that setting a proper $H$ value can lead to generalization improvement. Yet, selecting a proper $H$ is elusive. This work proposes a theory-grounded method for determining $H$, named the Quadratic Synchronization Rule (QSR), which recommends dynamically setting $H$ in proportion to $\frac{1}{\eta^2}$ as the learning rate $\eta$ decays over time. Extensive ImageNet experiments on ResNet and ViT show that local gradient methods with QSR consistently improve the test accuracy over other synchronization strategies. Compared with the standard data parallel training, QSR enables Local AdamW on ViT-B to cut the training time on 16 or 64 GPUs down from 26.7 to 20.2 hours or from 8.6 to 5.5 hours and, at the same time, achieves $1.16\%$ or $0.84\%$ higher top-1 validation accuracy.

Many deep neural networks have been used to solve Ising models, including autoregressive neural networks, convolutional neural networks, recurrent neural networks, and graph neural networks. Learning a probability distribution of energy configuration or finding the ground states of a disordered, fully connected Ising model is essential for statistical mechanics and NP-hard problems. Despite tremendous efforts, a neural network architecture with the ability to high-accurately solve these fully connected and extremely intractable problems on larger systems is still lacking. Here we propose a variational autoregressive architecture with a message passing mechanism, which can effectively utilize the interactions between spin variables. The new network trained under an annealing framework outperforms existing methods in solving several prototypical Ising spin Hamiltonians, especially for larger spin systems at low temperatures. The advantages also come from the great mitigation of mode collapse during the training process of deep neural networks. Considering these extremely difficult problems to be solved, our method extends the current computational limits of unsupervised neural networks to solve combinatorial optimization problems.

This work addresses maximally robust control synthesis under unknown disturbances. We consider a general nonlinear system, subject to a Signal Temporal Logic (STL) specification, and wish to jointly synthesize the maximal possible disturbance bounds and the corresponding controllers that ensure the STL specification is satisfied under these bounds. Many works have considered STL satisfaction under given bounded disturbances. Yet, to the authors' best knowledge, this is the first work that aims to maximize the permissible disturbance set and find the corresponding controllers that ensure satisfying the STL specification with maximum disturbance robustness. We extend the notion of disturbance-robust semantics for STL, which is a property of a specification, dynamical system, and controller, and provide an algorithm to get the maximal disturbance robust controllers satisfying an STL specification using Hamilton-Jacobi reachability. We show its soundness and provide a simulation example with an Autonomous Underwater Vehicle (AUV).

Energy efficiency and memory footprint of a convolutional neural network (CNN) implemented on a CNN inference accelerator depend on many factors, including a weight quantization strategy (i.e., data types and bit-widths) and mapping (i.e., placement and scheduling of DNN elementary operations on hardware units of the accelerator). We show that enabling rich mixed quantization schemes during the implementation can open a previously hidden space of mappings that utilize the hardware resources more effectively. CNNs utilizing quantized weights and activations and suitable mappings can significantly improve trade-offs among the accuracy, energy, and memory requirements compared to less carefully optimized CNN implementations. To find, analyze, and exploit these mappings, we: (i) extend a general-purpose state-of-the-art mapping tool (Timeloop) to support mixed quantization, which is not currently available; (ii) propose an efficient multi-objective optimization algorithm to find the most suitable bit-widths and mapping for each DNN layer executed on the accelerator; and (iii) conduct a detailed experimental evaluation to validate the proposed method. On two CNNs (MobileNetV1 and MobileNetV2) and two accelerators (Eyeriss and Simba) we show that for a given quality metric (such as the accuracy on ImageNet), energy savings are up to 37% without any accuracy drop.

In recent years, deep neural networks (DNNs) have gained remarkable achievement in computer vision tasks, and the success of DNNs often depends greatly on the richness of data. However, the acquisition process of data and high-quality ground truth requires a lot of manpower and money. In the long, tedious process of data annotation, annotators are prone to make mistakes, resulting in incorrect labels of images, i.e., noisy labels. The emergence of noisy labels is inevitable. Moreover, since research shows that DNNs can easily fit noisy labels, the existence of noisy labels will cause significant damage to the model training process. Therefore, it is crucial to combat noisy labels for computer vision tasks, especially for classification tasks. In this survey, we first comprehensively review the evolution of different deep learning approaches for noisy label combating in the image classification task. In addition, we also review different noise patterns that have been proposed to design robust algorithms. Furthermore, we explore the inner pattern of real-world label noise and propose an algorithm to generate a synthetic label noise pattern guided by real-world data. We test the algorithm on the well-known real-world dataset CIFAR-10N to form a new real-world data-guided synthetic benchmark and evaluate some typical noise-robust methods on the benchmark.

Deep neural networks (DNNs) exhibit an exceptional capacity for generalization in practical applications. This work aims to capture the effect and benefits of depth for supervised learning via information-theoretic generalization bounds. We first derive two hierarchical bounds on the generalization error in terms of the Kullback-Leibler (KL) divergence or the 1-Wasserstein distance between the train and test distributions of the network internal representations. The KL divergence bound shrinks as the layer index increases, while the Wasserstein bound implies the existence of a layer that serves as a generalization funnel, which attains a minimal 1-Wasserstein distance. Analytic expressions for both bounds are derived under the setting of binary Gaussian classification with linear DNNs. To quantify the contraction of the relevant information measures when moving deeper into the network, we analyze the strong data processing inequality (SDPI) coefficient between consecutive layers of three regularized DNN models: Dropout, DropConnect, and Gaussian noise injection. This enables refining our generalization bounds to capture the contraction as a function of the network architecture parameters. Specializing our results to DNNs with a finite parameter space and the Gibbs algorithm reveals that deeper yet narrower network architectures generalize better in those examples, although how broadly this statement applies remains a question.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph representation. However, there is an inherent gap between self-supervised tasks and downstream tasks in terms of optimization objective and training data. Conventional pre-training methods may be not effective enough on knowledge transfer since they do not make any adaptation for downstream tasks. To solve such problems, we propose a new transfer learning paradigm on GNNs which could effectively leverage self-supervised tasks as auxiliary tasks to help the target task. Our methods would adaptively select and combine different auxiliary tasks with the target task in the fine-tuning stage. We design an adaptive auxiliary loss weighting model to learn the weights of auxiliary tasks by quantifying the consistency between auxiliary tasks and the target task. In addition, we learn the weighting model through meta-learning. Our methods can be applied to various transfer learning approaches, it performs well not only in multi-task learning but also in pre-training and fine-tuning. Comprehensive experiments on multiple downstream tasks demonstrate that the proposed methods can effectively combine auxiliary tasks with the target task and significantly improve the performance compared to state-of-the-art methods.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.