Action understanding has attracted long-term attention. It can be formed as the mapping from the physical space to the semantic space. Typically, researchers built datasets according to idiosyncratic choices to define classes and push the envelope of benchmarks respectively. Datasets are incompatible with each other like "Isolated Islands" due to semantic gaps and various class granularities, e.g., do housework in dataset A and wash plate in dataset B. We argue that we need a more principled semantic space to concentrate the community efforts and use all datasets together to pursue generalizable action learning. To this end, we design a structured action semantic space given verb taxonomy hierarchy and covering massive actions. By aligning the classes of previous datasets to our semantic space, we gather (image/video/skeleton/MoCap) datasets into a unified database in a unified label system, i.e., bridging "isolated islands" into a "Pangea". Accordingly, we propose a novel model mapping from the physical space to semantic space to fully use Pangea. In extensive experiments, our new system shows significant superiority, especially in transfer learning. Our code and data will be made public at //mvig-rhos.com/pangea.
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In nonsmooth, nonconvex stochastic optimization, understanding the uniform convergence of subdifferential mappings is crucial for analyzing stationary points of sample average approximations of risk as they approach the population risk. Yet, characterizing this convergence remains a fundamental challenge. This work introduces a novel perspective by connecting the uniform convergence of subdifferential mappings to that of subgradient mappings as empirical risk converges to the population risk. We prove that, for stochastic weakly-convex objectives, and within any open set, a uniform bound on the convergence of subgradients -- chosen arbitrarily from the corresponding subdifferential sets -- translates to a uniform bound on the convergence of the subdifferential sets itself, measured by the Hausdorff metric. Using this technique, we derive uniform convergence rates for subdifferential sets of stochastic convex-composite objectives. Our results do not rely on key distributional assumptions in the literature, which require the population and finite sample subdifferentials to be continuous in the Hausdorff metric, yet still provide tight convergence rates. These guarantees lead to new insights into the nonsmooth landscapes of such objectives within finite samples.
Automated driving systems are an integral part of the automotive industry. Tools such as Robot Operating System and simulators support their development. However, in the end, the developers must test their algorithms on a real vehicle. To better observe the difference between reality and simulation--the reality gap--digital twin technology offers real-time communication between the real vehicle and its model. We present low fidelity digital twin generator and describe situations where automatic generation is preferable to high fidelity simulation. We validated our approach of generating a virtual environment with a vehicle model by replaying the data recorded from the real vehicle.
Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have yielded powerful generators, but we still lack robust strategies for generating molecules with desired properties. This molecular search problem closely resembles the "alignment" problem for large language models, though for many chemical tasks we have a specific and easily evaluable reward function. Here, we introduce an algorithm called energy rank alignment (ERA) that leverages an explicit reward function to produce a gradient-based objective that we use to optimize autoregressive policies. We show theoretically that this algorithm is closely related to proximal policy optimization (PPO) and direct preference optimization (DPO), but has a minimizer that converges to an ideal Gibbs-Boltzmann distribution with the reward playing the role of an energy function. Furthermore, this algorithm is highly scalable, does not require reinforcement learning, and performs well relative to DPO when the number of preference observations per pairing is small. We deploy this approach to align molecular transformers to generate molecules with externally specified properties and find that it does so robustly, searching through diverse parts of chemical space. While our focus here is on chemical search, we also obtain excellent results on an AI supervised task for LLM alignment, showing that the method is scalable and general.
To evaluate a classification algorithm, it is common practice to plot the ROC curve using test data. However, the inherent randomness in the test data can undermine our confidence in the conclusions drawn from the ROC curve, necessitating uncertainty quantification. In this article, we propose an algorithm to construct confidence bands for the ROC curve, quantifying the uncertainty of classification on the test data in terms of sensitivity and specificity. The algorithm is based on a procedure called conformal prediction, which constructs individualized confidence intervals for the test set and the confidence bands for the ROC curve can be obtained by combining the individualized intervals together. Furthermore, we address both scenarios where the test data are either iid or non-iid relative to the observed data set and propose distinct algorithms for each case with valid coverage probability. The proposed method is validated through both theoretical results and numerical experiments.
Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, it is hard or impossible to know in advance which designs are feasible due to some physical or system limitations. These issues lead to an even more challenging problem of optimizing an unknown function with unknown constraints. In this paper, we observe that in such scenarios optimal solution typically lies on the boundary between feasible and infeasible regions of the design space, making it considerably more difficult than that with interior optima. Inspired by this observation, we propose BE-CBO, a new Bayesian optimization method that efficiently explores the boundary between feasible and infeasible designs. To identify the boundary, we learn the constraints with an ensemble of neural networks that outperform the standard Gaussian Processes for capturing complex boundaries. Our method demonstrates superior performance against state-of-the-art methods through comprehensive experiments on synthetic and real-world benchmarks. Code available at: //github.com/yunshengtian/BE-CBO
Conservation laws are well-established in the context of Euclidean gradient flow dynamics, notably for linear or ReLU neural network training. Yet, their existence and principles for non-Euclidean geometries and momentum-based dynamics remain largely unknown. In this paper, we characterize "all" conservation laws in this general setting. In stark contrast to the case of gradient flows, we prove that the conservation laws for momentum-based dynamics exhibit temporal dependence. Additionally, we often observe a "conservation loss" when transitioning from gradient flow to momentum dynamics. Specifically, for linear networks, our framework allows us to identify all momentum conservation laws, which are less numerous than in the gradient flow case except in sufficiently over-parameterized regimes. With ReLU networks, no conservation law remains. This phenomenon also manifests in non-Euclidean metrics, used e.g. for Nonnegative Matrix Factorization (NMF): all conservation laws can be determined in the gradient flow context, yet none persists in the momentum case.
Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations, rotations, etc, leading to better generalization ability. Nevertheless, their frame-to-frame formulation of the task overlooks the non-Markov property mainly incurred by unobserved dynamics in the environment. In this paper, we reformulate dynamics simulation as a spatio-temporal prediction task, by employing the trajectory in the past period to recover the Non-Markovian interactions. We propose Equivariant Spatio-Temporal Attentive Graph Networks (ESTAG), an equivariant version of spatio-temporal GNNs, to fulfill our purpose. At its core, we design a novel Equivariant Discrete Fourier Transform (EDFT) to extract periodic patterns from the history frames, and then construct an Equivariant Spatial Module (ESM) to accomplish spatial message passing, and an Equivariant Temporal Module (ETM) with the forward attention and equivariant pooling mechanisms to aggregate temporal message. We evaluate our model on three real datasets corresponding to the molecular-, protein- and macro-level. Experimental results verify the effectiveness of ESTAG compared to typical spatio-temporal GNNs and equivariant GNNs.
In the decades, the general field of quantum computing has experienced remarkable progress since its inception. A plethora of researchers not only proposed quantum algorithms showing the power of quantum computing but also constructed the prototype of quantum computers, making it walk into our tangible reality. Those remarkable advancements in quantum computing have opened doors for novel applications, one of which is quantum databases. Researchers are trying to use a paradigm brought by quantum computing to revolutionize various aspects of database management systems. In this paper, we envision the synergy between quantum computing and databases with two perspectives: Quantum computing-enabled technology, and quantum computing-inspired technology. Based on this classification, we present a detailed overview of the research attained in this area, aiming to show the landscape of the field and draw a road map of future directions.
Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.
Substantial efforts have been devoted more recently to presenting various methods for object detection in optical remote sensing images. However, the current survey of datasets and deep learning based methods for object detection in optical remote sensing images is not adequate. Moreover, most of the existing datasets have some shortcomings, for example, the numbers of images and object categories are small scale, and the image diversity and variations are insufficient. These limitations greatly affect the development of deep learning based object detection methods. In the paper, we provide a comprehensive review of the recent deep learning based object detection progress in both the computer vision and earth observation communities. Then, we propose a large-scale, publicly available benchmark for object DetectIon in Optical Remote sensing images, which we name as DIOR. The dataset contains 23463 images and 192472 instances, covering 20 object classes. The proposed DIOR dataset 1) is large-scale on the object categories, on the object instance number, and on the total image number; 2) has a large range of object size variations, not only in terms of spatial resolutions, but also in the aspect of inter- and intra-class size variability across objects; 3) holds big variations as the images are obtained with different imaging conditions, weathers, seasons, and image quality; and 4) has high inter-class similarity and intra-class diversity. The proposed benchmark can help the researchers to develop and validate their data-driven methods. Finally, we evaluate several state-of-the-art approaches on our DIOR dataset to establish a baseline for future research.
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