Transformer has achieved impressive successes for various computer vision tasks. However, most of existing studies require to pretrain the Transformer backbone on a large-scale labeled dataset (e.g., ImageNet) for achieving satisfactory performance, which is usually unavailable for medical images. Additionally, due to the gap between medical and natural images, the improvement generated by the ImageNet pretrained weights significantly degrades while transferring the weights to medical image processing tasks. In this paper, we propose Bootstrap Own Latent of Transformer (BOLT), a self-supervised learning approach specifically for medical image classification with the Transformer backbone. Our BOLT consists of two networks, namely online and target branches, for self-supervised representation learning. Concretely, the online network is trained to predict the target network representation of the same patch embedding tokens with a different perturbation. To maximally excavate the impact of Transformer from limited medical data, we propose an auxiliary difficulty ranking task. The Transformer is enforced to identify which branch (i.e., online/target) is processing the more difficult perturbed tokens. Overall, the Transformer endeavours itself to distill the transformation-invariant features from the perturbed tokens to simultaneously achieve difficulty measurement and maintain the consistency of self-supervised representations. The proposed BOLT is evaluated on three medical image processing tasks, i.e., skin lesion classification, knee fatigue fracture grading and diabetic retinopathy grading. The experimental results validate the superiority of our BOLT for medical image classification, compared to ImageNet pretrained weights and state-of-the-art self-supervised learning approaches.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

Deep reinforcement learning has recently emerged as an appealing alternative for legged locomotion over multiple terrains by training a policy in physical simulation and then transferring it to the real world (i.e., sim-to-real transfer). Despite considerable progress, the capacity and scalability of traditional neural networks are still limited, which may hinder their applications in more complex environments. In contrast, the Transformer architecture has shown its superiority in a wide range of large-scale sequence modeling tasks, including natural language processing and decision-making problems. In this paper, we propose Terrain Transformer (TERT), a high-capacity Transformer model for quadrupedal locomotion control on various terrains. Furthermore, to better leverage Transformer in sim-to-real scenarios, we present a novel two-stage training framework consisting of an offline pretraining stage and an online correction stage, which can naturally integrate Transformer with privileged training. Extensive experiments in simulation demonstrate that TERT outperforms state-of-the-art baselines on different terrains in terms of return, energy consumption and control smoothness. In further real-world validation, TERT successfully traverses nine challenging terrains, including sand pit and stair down, which can not be accomplished by strong baselines.

Recently, the self-supervised pre-training paradigm has shown great potential in leveraging large-scale unlabeled data to improve downstream task performance. However, increasing the scale of unlabeled pre-training data in real-world scenarios requires prohibitive computational costs and faces the challenge of uncurated samples. To address these issues, we build a task-specific self-supervised pre-training framework from a data selection perspective based on a simple hypothesis that pre-training on the unlabeled samples with similar distribution to the target task can bring substantial performance gains. Buttressed by the hypothesis, we propose the first yet novel framework for Scalable and Efficient visual Pre-Training (SEPT) by introducing a retrieval pipeline for data selection. SEPT first leverage a self-supervised pre-trained model to extract the features of the entire unlabeled dataset for retrieval pipeline initialization. Then, for a specific target task, SEPT retrievals the most similar samples from the unlabeled dataset based on feature similarity for each target instance for pre-training. Finally, SEPT pre-trains the target model with the selected unlabeled samples in a self-supervised manner for target data finetuning. By decoupling the scale of pre-training and available upstream data for a target task, SEPT achieves high scalability of the upstream dataset and high efficiency of pre-training, resulting in high model architecture flexibility. Results on various downstream tasks demonstrate that SEPT can achieve competitive or even better performance compared with ImageNet pre-training while reducing the size of training samples by one magnitude without resorting to any extra annotations.

The mixture of Expert (MoE) parallelism is a recent advancement that scales up the model size with constant computational cost. MoE selects different sets of parameters (i.e., experts) for each incoming token, resulting in a sparsely-activated model. Despite several successful applications of MoE, its training efficiency degrades significantly as the number of experts increases. The routing stage in MoE relies on the efficiency of the All2All communication collective, which suffers from network congestion and has poor scalability. To mitigate these issues, we introduce SMILE, which exploits heterogeneous network bandwidth and splits a single-step routing into bi-level routing. Our experimental results show that the proposed method obtains a 2.5x speedup over Switch Transformer in terms of pretraining throughput on the Colossal Clean Crawled Corpus without losing any convergence speed.

Stochastic gradients closely relate to both optimization and generalization of deep neural networks (DNNs). Some works attempted to explain the success of stochastic optimization for deep learning by the arguably heavy-tail properties of gradient noise, while other works presented theoretical and empirical evidence against the heavy-tail hypothesis on gradient noise. Unfortunately, formal statistical tests for analyzing the structure and heavy tails of stochastic gradients in deep learning are still under-explored. In this paper, we mainly make two contributions. First, we conduct formal statistical tests on the distribution of stochastic gradients and gradient noise across both parameters and iterations. Our statistical tests reveal that dimension-wise gradients usually exhibit power-law heavy tails, while iteration-wise gradients and stochastic gradient noise caused by minibatch training usually do not exhibit power-law heavy tails. Second, we further discover that the covariance spectra of stochastic gradients have the power-law structures in deep learning. While previous papers believed that the anisotropic structure of stochastic gradients matters to deep learning, they did not expect the gradient covariance can have such an elegant mathematical structure. Our work challenges the existing belief and provides novel insights on the structure of stochastic gradients in deep learning.

Partial MaxSAT (PMS) and Weighted PMS (WPMS) are two practical generalizations of the MaxSAT problem. In this paper, we propose a local search algorithm for these problems, called BandHS, which applies two multi-armed bandits to guide the search directions when escaping local optima. One bandit is combined with all the soft clauses to help the algorithm select to satisfy appropriate soft clauses, and the other bandit with all the literals in hard clauses to help the algorithm select appropriate literals to satisfy the hard clauses. These two bandits can improve the algorithm's search ability in both feasible and infeasible solution spaces. We further propose an initialization method for (W)PMS that prioritizes both unit and binary clauses when producing the initial solutions. Extensive experiments demonstrate the excellent performance and generalization capability of our proposed methods, that greatly boost the state-of-the-art local search algorithm, SATLike3.0, and the state-of-the-art SAT-based incomplete solver, NuWLS-c.

The performance of a camera network monitoring a set of targets depends crucially on the configuration of the cameras. In this paper, we investigate the reconfiguration strategy for the parameterized camera network model, with which the sensing qualities of the multiple targets can be optimized globally and simultaneously. We first propose to use the number of pixels occupied by a unit-length object in image as a metric of the sensing quality of the object, which is determined by the parameters of the camera, such as intrinsic, extrinsic, and distortional coefficients. Then, we form a single quantity that measures the sensing quality of the targets by the camera network. This quantity further serves as the objective function of our optimization problem to obtain the optimal camera configuration. We verify the effectiveness of our approach through extensive simulations and experiments, and the results reveal its improved performance on the AprilTag detection tasks. Codes and related utilities for this work are open-sourced and available at https://github.com/sszxc/MultiCam-Simulation.

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled molecules. Recent studies suggest that big GNN models pre-trained by self-supervised learning on unlabeled datasets enable better transfer performance in downstream molecular property prediction tasks. However, they often require large-scale datasets and considerable computational resources, which is time-consuming, computationally expensive, and environmentally unfriendly. To alleviate these limitations, we propose a novel pre-training model for molecular representation learning, Bi-branch Masked Graph Transformer Autoencoder (BatmanNet). BatmanNet features two tailored and complementary graph autoencoders to reconstruct the missing nodes and edges from a masked molecular graph. To our surprise, BatmanNet discovered that the highly masked proportion (60%) of the atoms and bonds achieved the best performance. We further propose an asymmetric graph-based encoder-decoder architecture for either nodes and edges, where a transformer-based encoder only takes the visible subset of nodes or edges, and a lightweight decoder reconstructs the original molecule from the latent representation and mask tokens. With this simple yet effective asymmetrical design, our BatmanNet can learn efficiently even from a much smaller-scale unlabeled molecular dataset to capture the underlying structural and semantic information, overcoming a major limitation of current deep neural networks for molecular representation learning. For instance, using only 250K unlabelled molecules as pre-training data, our BatmanNet with 2.575M parameters achieves a 0.5% improvement on the average AUC compared with the current state-of-the-art method with 100M parameters pre-trained on 11M molecules.

Designing safety-critical control for robotic manipulators is challenging, especially in a cluttered environment. First, the actual trajectory of a manipulator might deviate from the planned one due to the complex collision environments and non-trivial dynamics, leading to collision; Second, the feasible space for the manipulator is hard to obtain since the explicit distance functions between collision meshes are unknown. By analyzing the relationship between the safe set and the controlled invariant set, this paper proposes a data-driven control barrier function (CBF) construction method, which extracts CBF from distance samples. Specifically, the CBF guarantees the controlled invariant property for considering the system dynamics. The data-driven method samples the distance function and determines the safe set. Then, the CBF is synthesized based on the safe set by a scenario-based sum of square (SOS) program. Unlike most existing linearization based approaches, our method reserves the volume of the feasible space for planning without approximation, which helps find a solution in a cluttered environment. The control law is obtained by solving a CBF-based quadratic program in real time, which works as a safe filter for the desired planning-based controller. Moreover, our method guarantees safety with the proven probabilistic result. Our method is validated on a 7-DOF manipulator in both real and virtual cluttered environments. The experiments show that the manipulator is able to execute tasks where the clearance between obstacles is in millimeters.