We present YOLO, a new approach to object detection. Prior work on object detection repurposes classifiers to perform detection. Instead, we frame object detection as a regression problem to spatially separated bounding boxes and associated class probabilities. A single neural network predicts bounding boxes and class probabilities directly from full images in one evaluation. Since the whole detection pipeline is a single network, it can be optimized end-to-end directly on detection performance. Our unified architecture is extremely fast. Our base YOLO model processes images in real-time at 45 frames per second. A smaller version of the network, Fast YOLO, processes an astounding 155 frames per second while still achieving double the mAP of other real-time detectors. Compared to state-of-the-art detection systems, YOLO makes more localization errors but is less likely to predict false positives on background. Finally, YOLO learns very general representations of objects. It outperforms other detection methods, including DPM and R-CNN, when generalizing from natural images to other domains like artwork.

/pdf/you-only-look-once-unified-real-time-object-detection-3gan6roe1o.pdf

You Only Look Once: Unified, Real-Time Object Detection

Machine Learning is the study of methods for programming computers to learn. Computers are applied to a wide range of tasks, and for most of these it is relatively easy for programmers to design and implement the necessary software. However, there are many tasks for which this is difficult or impossible. These can be divided into four general categories. First, there are problems for which there exist no human experts. For example, in modern automated manufacturing facilities, there is a need to predict machine failures before they occur by analyzing sensor readings. Because the machines are new, there are no human experts who can be interviewed by a programmer to provide the knowledge necessary to build a computer system. A machine learning system can study recorded data and subsequent machine failures and learn prediction rules. Second, there are problems where human experts exist, but where they are unable to explain their expertise. This is the case in many perceptual tasks, such as speech recognition, hand-writing recognition, and natural language understanding. Virtually all humans exhibit expert-level abilities on these tasks, but none of them can describe the detailed steps that they follow as they perform them. Fortunately, humans can provide machines with examples of the inputs and correct outputs for these tasks, so machine learning algorithms can learn to map the inputs to the outputs. Third, there are problems where phenomena are changing rapidly. In finance, for example, people would like to predict the future behavior of the stock market, of consumer purchases, or of exchange rates. These behaviors change frequently, so that even if a programmer could construct a good predictive computer program, it would need to be rewritten frequently. A learning program can relieve the programmer of this burden by constantly modifying and tuning a set of learned prediction rules. Fourth, there are applications that need to be customized for each computer user separately. Consider, for example, a program to filter unwanted electronic mail messages. Different users will need different filters. It is unreasonable to expect each user to program his or her own rules, and it is infeasible to provide every user with a software engineer to keep the rules up-to-date. A machine learning system can learn which mail messages the user rejects and maintain the filtering rules automatically. Machine learning addresses many of the same research questions as the fields of statistics, data mining, and psychology, but with differences of emphasis. Statistics focuses on understanding the phenomena that have generated the data, often with the goal of testing different hypotheses about those phenomena. Data mining seeks to find patterns in the data that are understandable by people. Psychological studies of human learning aspire to understand the mechanisms underlying the various learning behaviors exhibited by people (concept learning, skill acquisition, strategy change, etc.).

Machine learning

Probability Distributions.- Linear Models for Regression.- Linear Models for Classification.- Neural Networks.- Kernel Methods.- Sparse Kernel Machines.- Graphical Models.- Mixture Models and EM.- Approximate Inference.- Sampling Methods.- Continuous Latent Variables.- Sequential Data.- Combining Models.

Pattern Recognition and Machine Learning

We consider the problem of automatically recognizing human faces from frontal views with varying expression and illumination, as well as occlusion and disguise. We cast the recognition problem as one of classifying among multiple linear regression models and argue that new theory from sparse signal representation offers the key to addressing this problem. Based on a sparse representation computed by C1-minimization, we propose a general classification algorithm for (image-based) object recognition. This new framework provides new insights into two crucial issues in face recognition: feature extraction and robustness to occlusion. For feature extraction, we show that if sparsity in the recognition problem is properly harnessed, the choice of features is no longer critical. What is critical, however, is whether the number of features is sufficiently large and whether the sparse representation is correctly computed. Unconventional features such as downsampled images and random projections perform just as well as conventional features such as eigenfaces and Laplacianfaces, as long as the dimension of the feature space surpasses certain threshold, predicted by the theory of sparse representation. This framework can handle errors due to occlusion and corruption uniformly by exploiting the fact that these errors are often sparse with respect to the standard (pixel) basis. The theory of sparse representation helps predict how much occlusion the recognition algorithm can handle and how to choose the training images to maximize robustness to occlusion. We conduct extensive experiments on publicly available databases to verify the efficacy of the proposed algorithm and corroborate the above claims.

/pdf/robust-face-recognition-via-sparse-representation-4bfqv6y74o.pdf

Robust Face Recognition via Sparse Representation

Computational single-cell RNA-seq (scRNA-seq) methods have been successfully applied to experiments representing a single condition, technology, or species to discover and define cellular phenotypes. However, identifying subpopulations of cells that are present across multiple data sets remains challenging. Here, we introduce an analytical strategy for integrating scRNA-seq data sets based on common sources of variation, enabling the identification of shared populations across data sets and downstream comparative analysis. We apply this approach, implemented in our R toolkit Seurat (http://satijalab.org/seurat/), to align scRNA-seq data sets of peripheral blood mononuclear cells under resting and stimulated conditions, hematopoietic progenitors sequenced using two profiling technologies, and pancreatic cell 'atlases' generated from human and mouse islets. In each case, we learn distinct or transitional cell states jointly across data sets, while boosting statistical power through integrated analysis. Our approach facilitates general comparisons of scRNA-seq data sets, potentially deepening our understanding of how distinct cell states respond to perturbation, disease, and evolution.

/pdf/integrating-single-cell-transcriptomic-data-across-different-3dtsi5w7ob.pdf

Integrating single-cell transcriptomic data across different conditions, technologies, and species.

The ability to preserve local geometry of highly nonlinear manifolds in high dimensional spaces and properly unfold them into lower dimensional hyperplanes is the key to the success of manifold computing, nonlinear dimensionality reduction (NLDR) and visualization. This paper proposes a novel method, called elastic locally isometric smoothness (ELIS), to empower deep neural networks with such an ability. ELIS requires that a desired metric between points should be preserved across layers in order to preserve local geometry; such a smoothness constraint effectively regularizes vector-based transformations to become well-behaved local metric-preserving homeomorphisms. Moreover, ELIS requires that the smoothness should be imposed in a way to render sufficient flexibility for tackling complicated nonlinearity and non-Euclideanity; this is achieved layer-wisely via nonlinearity in both the similarity and activation functions. The ELIS method incorporates a class of suitable nonlinear similarity functions into a two-way divergence loss and uses hyperparameter continuation in finding optimal solutions. Extensive experiments, comparisons, and ablation study demonstrate that ELIS can deliver results not only superior to UMAP and t-SNE for and visualization but also better than other leading counterparts of manifold and autoencoder learning for NLDR and manifold data generation.

Deep Manifold Computing and Visualization Using Elastic Locally Isometric Smoothness

Deep manifold embedding of attributed graphs

Is there a unified framework for graph-based retrosynthesis prediction? Through analysis of full-, semi-, and non-template retrosynthesis methods, we discovered that they strive to strike an optimal balance between combinability and consistency: \textit{Should atoms be combined as motifs to simplify the molecular editing process, or should motifs be broken down into atoms to reduce the vocabulary and improve predictive consistency?} Recent works have studied several specific cases, while none of them explores different combinability-consistency trade-offs. Therefore, we propose MotifRetro, a dynamic motif editing framework for retrosynthesis prediction that can explore the entire trade-off space and unify graph-based models. MotifRetro comprises two components: RetroBPE, which controls the combinability-consistency trade-off, and a motif editing model, where we introduce a novel LG-EGAT module to dynamiclly add motifs to the molecule. We conduct extensive experiments on USPTO-50K to explore how the trade-off affects the model performance and finally achieve state-of-the-art performance.

MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Motif Editing

Self-supervised learning on graphs has recently achieved remarkable success in graph representation learning. With hundreds of self-supervised pretext tasks proposed over the past few years, the research community has greatly developed, and the key is no longer to design more powerful but complex pretext tasks, but to make more effective use of those already on hand. This paper studies the problem of how to automatically, adaptively, and dynamically learn instance-level self-supervised learning strategies for each node from a given pool of pretext tasks. In this paper, we propose a novel multi-teacher knowledge distillation framework for Automated Graph Self-Supervised Learning (AGSSL), which consists of two main branches: (i) Knowledge Extraction: training multiple teachers with different pretext tasks, so as to extract different levels of knowledge with different inductive biases; (ii) Knowledge Integration: integrating different levels of knowledge and distilling them into the student model. Without simply treating different teachers as equally important, we provide a provable theoretical guideline for how to integrate the knowledge of different teachers, i.e., the integrated teacher probability should be close to the true Bayesian class-probability. To approach the theoretical optimum in practice, two adaptive knowledge integration strategies are proposed to construct a relatively"good"integrated teacher. Extensive experiments on eight datasets show that AGSSL can benefit from multiple pretext tasks, outperforming the corresponding individual tasks; by combining a few simple but classical pretext tasks, the resulting performance is comparable to other leading counterparts.

Automated Graph Self-supervised Learning via Multi-teacher Knowledge Distillation

It is widely believed that a dimension reduction (DR) process drops information inevitably in most practical scenarios. Thus, most methods try to preserve some essential information of data after DR, as well as manifold based DR methods. However, they usually fail to yield satisfying results, especially in high-dimensional cases. In the context of manifold learning, we think that a good low-dimensional representation should preserve the topological and geometric properties of data manifolds, which involve exactly the entire information of the data manifolds. In this paper, we define the problem of information-lossless NLDR with the manifold assumption and propose a novel two-stage NLDR method, called invertible manifold learning (inv-ML), to tackle this problem. A local isometry constraint of preserving local geometry is applied under this assumption in inv-ML. Firstly, a homeomorphic sparse coordinate transformation is learned to find the low-dimensional representation without losing topological information. Secondly, a linear compression is performed on the learned sparse coding, with the trade-off between the target dimension and the incurred information loss. Experiments are conducted on seven datasets with a neural network implementation of inv-ML, called i-ML-Enc, which demonstrate that the proposed inv-ML not only achieves invertible NLDR in comparison with typical existing methods but also reveals the characteristics of the learned manifolds through linear interpolation in latent space. Moreover, we find that the reliability of tangent space approximated by the local neighborhood on real-world datasets is key to the success of manifold based DR algorithms. The code will be made available soon.

Stan Z. Li

Papers

Deep Manifold Computing and Visualization Using Elastic Locally Isometric Smoothness

Deep manifold embedding of attributed graphs

MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Motif Editing

Automated Graph Self-supervised Learning via Multi-teacher Knowledge Distillation

Invertible Manifold Learning for Dimension Reduction