Recently, unsupervised learning has made impressive progress on various tasks. Despite the dominance of discriminative models, increasing attention is drawn to representations learned by generative models and in particular, Generative Adversarial Networks (GANs). Previous works on the interpretation of GANs reveal that GANs encode semantics in feature maps in a linearly separable form. In this work, we further find that GAN's features can be well clustered with the linear separability assumption. We propose a novel clustering algorithm, named KLiSH, which leverages the linear separability to cluster GAN's features. KLiSH succeeds in extracting fine-grained semantics of GANs trained on datasets of various objects, e.g., car, portrait, animals, and so on. With KLiSH, we can sample images from GANs along with their segmentation masks and synthesize paired image-segmentation datasets. Using the synthesized datasets, we enable two downstream applications. First, we train semantic segmentation networks on these datasets and test them on real images, realizing unsupervised semantic segmentation. Second, we train image-to-image translation networks on the synthesized datasets, enabling semantic-conditional image synthesis without human annotations.

Learning good representation of giga-pixel level whole slide pathology images (WSI) for downstream tasks is critical. Previous studies employ multiple instance learning (MIL) to represent WSIs as bags of sampled patches because, for most occasions, only slide-level labels are available, and only a tiny region of the WSI is disease-positive area. However, WSI representation learning still remains an open problem due to: (1) patch sampling on a higher resolution may be incapable of depicting microenvironment information such as the relative position between the tumor cells and surrounding tissues, while patches at lower resolution lose the fine-grained detail; (2) extracting patches from giant WSI results in large bag size, which tremendously increases the computational cost. To solve the problems, this paper proposes a hierarchical-based multimodal transformer framework that learns a hierarchical mapping between pathology images and corresponding genes. Precisely, we randomly extract instant-level patch features from WSIs with different magnification. Then a co-attention mapping between imaging and genomics is learned to uncover the pairwise interaction and reduce the space complexity of imaging features. Such early fusion makes it computationally feasible to use MIL Transformer for the survival prediction task. Our architecture requires fewer GPU resources compared with benchmark methods while maintaining better WSI representation ability. We evaluate our approach on five cancer types from the Cancer Genome Atlas database and achieved an average c-index of $0.673$, outperforming the state-of-the-art multimodality methods.

The challenge of imbalanced learning lies not only in class imbalance problem, but also in the class overlapping problem which is complex. However, most of the existing algorithms mainly focus on the former. The limitation prevents the existing methods from breaking through. To address this limitation, this paper proposes an ensemble learning algorithm based on dual clustering and stage-wise hybrid sampling (DCSHS). The DCSHS has three parts. Firstly, we design a projection clustering combination framework (PCC) guided by Davies-Bouldin clustering effectiveness index (DBI), which is used to obtain high-quality clusters and combine them to obtain a set of cross-complete subsets (CCS) with balanced class and low overlapping. Secondly, according to the characteristics of subset classes, a stage-wise hybrid sampling algorithm is designed to realize the de-overlapping and balancing of subsets. Finally, a projective clustering transfer mapping mechanism (CTM) is constructed for all processed subsets by means of transfer learning, thereby reducing class overlapping and explore structure information of samples. The major advantage of our algorithm is that it can exploit the intersectionality of the CCS to realize the soft elimination of overlapping majority samples, and learn as much information of overlapping samples as possible, thereby enhancing the class overlapping while class balancing. In the experimental section, more than 30 public datasets and over ten representative algorithms are chosen for verification. The experimental results show that the DCSHS is significantly best in terms of various evaluation criteria.

Building an accurate model of travel behaviour based on individuals' characteristics and built environment attributes is of importance for policy-making and transportation planning. Recent experiments with big data and Machine Learning (ML) algorithms toward a better travel behaviour analysis have mainly overlooked socially disadvantaged groups. Accordingly, in this study, we explore the travel behaviour responses of low-income individuals to transit investments in the Greater Toronto and Hamilton Area, Canada, using statistical and ML models. We first investigate how the model choice affects the prediction of transit use by the low-income group. This step includes comparing the predictive performance of traditional and ML algorithms and then evaluating a transit investment policy by contrasting the predicted activities and the spatial distribution of transit trips generated by vulnerable households after improving accessibility. We also empirically investigate the proposed transit investment by each algorithm and compare it with the city of Brampton's future transportation plan. While, unsurprisingly, the ML algorithms outperform classical models, there are still doubts about using them due to interpretability concerns. Hence, we adopt recent local and global model-agnostic interpretation tools to interpret how the model arrives at its predictions. Our findings reveal the great potential of ML algorithms for enhanced travel behaviour predictions for low-income strata without considerably sacrificing interpretability.

A reliable pose estimator robust to environmental disturbances is desirable for mobile robots. To this end, inertial measurement units (IMUs) play an important role because they can perceive the full motion state of the vehicle independently. However, it suffers from accumulative error due to inherent noise and bias instability, especially for low-cost sensors. In our previous studies on Wheel-INS \cite{niu2021, wu2021}, we proposed to limit the error drift of the pure inertial navigation system (INS) by mounting an IMU to the wheel of the robot to take advantage of rotation modulation. However, Wheel-INS still drifted over a long period of time due to the lack of external correction signals. In this letter, we propose to exploit the environmental perception ability of Wheel-INS to achieve simultaneous localization and mapping (SLAM) with only one IMU. To be specific, we use the road bank angles (mirrored by the robot roll angles estimated by Wheel-INS) as terrain features to enable the loop closure with a Rao-Blackwellized particle filter. The road bank angle is sampled and stored according to the robot position in the grid maps maintained by the particles. The weights of the particles are updated according to the difference between the currently estimated roll sequence and the terrain map. Field experiments suggest the feasibility of the idea to perform SLAM in Wheel-INS using the robot roll angle estimates. In addition, the positioning accuracy is improved significantly (more than 30\%) over Wheel-INS. The source code of our implementation is publicly available (https://github.com/i2Nav-WHU/Wheel-SLAM).

Deep metric learning aims to learn an embedding space, where semantically similar samples are close together and dissimilar ones are repelled against. To explore more hard and informative training signals for augmentation and generalization, recent methods focus on generating synthetic samples to boost metric learning losses. However, these methods just use the deterministic and class-independent generations (e.g., simple linear interpolation), which only can cover the limited part of distribution spaces around original samples. They have overlooked the wide characteristic changes of different classes and can not model abundant intra-class variations for generations. Therefore, generated samples not only lack rich semantics within the certain class, but also might be noisy signals to disturb training. In this paper, we propose a novel intra-class adaptive augmentation (IAA) framework for deep metric learning. We reasonably estimate intra-class variations for every class and generate adaptive synthetic samples to support hard samples mining and boost metric learning losses. Further, for most datasets that have a few samples within the class, we propose the neighbor correction to revise the inaccurate estimations, according to our correlation discovery where similar classes generally have similar variation distributions. Extensive experiments on five benchmarks show our method significantly improves and outperforms the state-of-the-art methods on retrieval performances by 3%-6%. Our code is available at https://github.com/darkpromise98/IAA

We study the fundamental task of outlier-robust mean estimation for heavy-tailed distributions in the presence of sparsity. Specifically, given a small number of corrupted samples from a high-dimensional heavy-tailed distribution whose mean $\mu$ is guaranteed to be sparse, the goal is to efficiently compute a hypothesis that accurately approximates $\mu$ with high probability. Prior work had obtained efficient algorithms for robust sparse mean estimation of light-tailed distributions. In this work, we give the first sample-efficient and polynomial-time robust sparse mean estimator for heavy-tailed distributions under mild moment assumptions. Our algorithm achieves the optimal asymptotic error using a number of samples scaling logarithmically with the ambient dimension. Importantly, the sample complexity of our method is optimal as a function of the failure probability $\tau$, having an additive $\log(1/\tau)$ dependence. Our algorithm leverages the stability-based approach from the algorithmic robust statistics literature, with crucial (and necessary) adaptations required in our setting. Our analysis may be of independent interest, involving the delicate design of a (non-spectral) decomposition for positive semi-definite matrices satisfying certain sparsity properties.

We discover a robust self-supervised strategy tailored towards molecular representations for generative masked language models through a series of tailored, in-depth ablations. Using this pre-training strategy, we train BARTSmiles, a BART-like model with an order of magnitude more compute than previous self-supervised molecular representations. In-depth evaluations show that BARTSmiles consistently outperforms other self-supervised representations across classification, regression, and generation tasks setting a new state-of-the-art on 11 tasks. We then quantitatively show that when applied to the molecular domain, the BART objective learns representations that implicitly encode our downstream tasks of interest. For example, by selecting seven neurons from a frozen BARTSmiles, we can obtain a model having performance within two percentage points of the full fine-tuned model on task Clintox. Lastly, we show that standard attribution interpretability methods, when applied to BARTSmiles, highlight certain substructures that chemists use to explain specific properties of molecules. The code and the pretrained model are publicly available.

We study a general matrix optimization problem with a fixed-rank positive semidefinite (PSD) constraint. We perform the Burer-Monteiro factorization and consider a particular Riemannian quotient geometry in a search space that has a total space equipped with the Euclidean metric. When the original objective f satisfies standard restricted strong convexity and smoothness properties, we characterize the global landscape of the factorized objective under the Riemannian quotient geometry. We show the entire search space can be divided into three regions: (R1) the region near the target parameter of interest, where the factorized objective is geodesically strongly convex and smooth; (R2) the region containing neighborhoods of all strict saddle points; (R3) the remaining regions, where the factorized objective has a large gradient. To our best knowledge, this is the first global landscape analysis of the Burer-Monteiro factorized objective under the Riemannian quotient geometry. Our results provide a fully geometric explanation for the superior performance of vanilla gradient descent under the Burer-Monteiro factorization. When f satisfies a weaker restricted strict convexity property, we show there exists a neighborhood near local minimizers such that the factorized objective is geodesically convex. To prove our results we provide a comprehensive landscape analysis of a matrix factorization problem with a least squares objective, which serves as a critical bridge. Our conclusions are also based on a result of independent interest stating that the geodesic ball centered at Y with a radius 1/3 of the least singular value of Y is a geodesically convex set under the Riemannian quotient geometry, which as a corollary, also implies a quantitative bound of the convexity radius in the Bures-Wasserstein space. The convexity radius obtained is sharp up to constants.

How do we know when the predictions made by a classifier can be trusted? This is a fundamental problem that also has immense practical applicability, especially in safety-critical areas such as medicine and autonomous driving. The de facto approach of using the classifier's softmax outputs as a proxy for trustworthiness suffers from the over-confidence issue; while the most recent works incur problems such as additional retraining cost and accuracy versus trustworthiness trade-off. In this work, we argue that the trustworthiness of a classifier's prediction for a sample is highly associated with two factors: the sample's neighborhood information and the classifier's output. To combine the best of both worlds, we design a model-agnostic post-hoc approach NeighborAgg to leverage the two essential information via an adaptive neighborhood aggregation. Theoretically, we show that NeighborAgg is a generalized version of a one-hop graph convolutional network, inheriting the powerful modeling ability to capture the varying similarity between samples within each class. We also extend our approach to the closely related task of mislabel detection and provide a theoretical coverage guarantee to bound the false negative. Empirically, extensive experiments on image and tabular benchmarks verify our theory and suggest that NeighborAgg outperforms other methods, achieving state-of-the-art trustworthiness performance.