Coherent Ising Machine (CIM) is a network of optical parametric oscillators that solves combinatorial optimization problems by finding the ground state of an Ising Hamiltonian. As a practical application of CIM, Aonishi et al. proposed a quantum-classical hybrid system to solve optimization problems of L0-regularization-based compressed sensing (L0RBCS). Gunathilaka et al. has further enhanced the accuracy of the system. However, the computationally expensive CIM's stochastic differential equations (SDEs) limit the use of digital hardware implementations. As an alternative to Gunathilaka et al.'s CIM SDEs used previously, we propose using the mean-field CIM (MF-CIM) model, which is a physics-inspired heuristic solver without quantum noise. MF-CIM surmounts the high computational cost due to the simple nature of the differential equations (DEs). Furthermore, our results indicate that the proposed model has similar performance to physically accurate SDEs in both artificial and magnetic resonance imaging data, paving the way for implementing CIM-based L0RBCS on digital hardware such as Field Programmable Gate Arrays (FPGAs).
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.
Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where out-of-distribution (OOD) nodes exist in the graph during training and inference. Borrowing the concept from CV and NLP, we define OOD nodes as nodes with labels unseen from the training set. Since a lot of networks are automatically constructed by programs, real-world graphs are often noisy and may contain nodes from unknown distributions. In this work, we define the problem of graph learning with out-of-distribution nodes. Specifically, we aim to accomplish two tasks: 1) detect nodes which do not belong to the known distribution and 2) classify the remaining nodes to be one of the known classes. We demonstrate that the connection patterns in graphs are informative for outlier detection, and propose Out-of-Distribution Graph Attention Network (OODGAT), a novel GNN model which explicitly models the interaction between different kinds of nodes and separate inliers from outliers during feature propagation. Extensive experiments show that OODGAT outperforms existing outlier detection methods by a large margin, while being better or comparable in terms of in-distribution classification.
Foundation models pretrained on diverse data at scale have demonstrated extraordinary capabilities in a wide range of vision and language tasks. When such models are deployed in real world environments, they inevitably interface with other entities and agents. For example, language models are often used to interact with human beings through dialogue, and visual perception models are used to autonomously navigate neighborhood streets. In response to these developments, new paradigms are emerging for training foundation models to interact with other agents and perform long-term reasoning. These paradigms leverage the existence of ever-larger datasets curated for multimodal, multitask, and generalist interaction. Research at the intersection of foundation models and decision making holds tremendous promise for creating powerful new systems that can interact effectively across a diverse range of applications such as dialogue, autonomous driving, healthcare, education, and robotics. In this manuscript, we examine the scope of foundation models for decision making, and provide conceptual tools and technical background for understanding the problem space and exploring new research directions. We review recent approaches that ground foundation models in practical decision making applications through a variety of methods such as prompting, conditional generative modeling, planning, optimal control, and reinforcement learning, and discuss common challenges and open problems in the field.
Link prediction on knowledge graphs (KGs) is a key research topic. Previous work mainly focused on binary relations, paying less attention to higher-arity relations although they are ubiquitous in real-world KGs. This paper considers link prediction upon n-ary relational facts and proposes a graph-based approach to this task. The key to our approach is to represent the n-ary structure of a fact as a small heterogeneous graph, and model this graph with edge-biased fully-connected attention. The fully-connected attention captures universal inter-vertex interactions, while with edge-aware attentive biases to particularly encode the graph structure and its heterogeneity. In this fashion, our approach fully models global and local dependencies in each n-ary fact, and hence can more effectively capture associations therein. Extensive evaluation verifies the effectiveness and superiority of our approach. It performs substantially and consistently better than current state-of-the-art across a variety of n-ary relational benchmarks. Our code is publicly available.
Zero-shot Learning (ZSL), which aims to predict for those classes that have never appeared in the training data, has arisen hot research interests. The key of implementing ZSL is to leverage the prior knowledge of classes which builds the semantic relationship between classes and enables the transfer of the learned models (e.g., features) from training classes (i.e., seen classes) to unseen classes. However, the priors adopted by the existing methods are relatively limited with incomplete semantics. In this paper, we explore richer and more competitive prior knowledge to model the inter-class relationship for ZSL via ontology-based knowledge representation and semantic embedding. Meanwhile, to address the data imbalance between seen classes and unseen classes, we developed a generative ZSL framework with Generative Adversarial Networks (GANs). Our main findings include: (i) an ontology-enhanced ZSL framework that can be applied to different domains, such as image classification (IMGC) and knowledge graph completion (KGC); (ii) a comprehensive evaluation with multiple zero-shot datasets from different domains, where our method often achieves better performance than the state-of-the-art models. In particular, on four representative ZSL baselines of IMGC, the ontology-based class semantics outperform the previous priors e.g., the word embeddings of classes by an average of 12.4 accuracy points in the standard ZSL across two example datasets (see Figure 4).
Conventionally, spatiotemporal modeling network and its complexity are the two most concentrated research topics in video action recognition. Existing state-of-the-art methods have achieved excellent accuracy regardless of the complexity meanwhile efficient spatiotemporal modeling solutions are slightly inferior in performance. In this paper, we attempt to acquire both efficiency and effectiveness simultaneously. First of all, besides traditionally treating H x W x T video frames as space-time signal (viewing from the Height-Width spatial plane), we propose to also model video from the other two Height-Time and Width-Time planes, to capture the dynamics of video thoroughly. Secondly, our model is designed based on 2D CNN backbones and model complexity is well kept in mind by design. Specifically, we introduce a novel multi-view fusion (MVF) module to exploit video dynamics using separable convolution for efficiency. It is a plug-and-play module and can be inserted into off-the-shelf 2D CNNs to form a simple yet effective model called MVFNet. Moreover, MVFNet can be thought of as a generalized video modeling framework and it can specialize to be existing methods such as C2D, SlowOnly, and TSM under different settings. Extensive experiments are conducted on popular benchmarks (i.e., Something-Something V1 & V2, Kinetics, UCF-101, and HMDB-51) to show its superiority. The proposed MVFNet can achieve state-of-the-art performance with 2D CNN's complexity.
In Multi-Label Text Classification (MLTC), one sample can belong to more than one class. It is observed that most MLTC tasks, there are dependencies or correlations among labels. Existing methods tend to ignore the relationship among labels. In this paper, a graph attention network-based model is proposed to capture the attentive dependency structure among the labels. The graph attention network uses a feature matrix and a correlation matrix to capture and explore the crucial dependencies between the labels and generate classifiers for the task. The generated classifiers are applied to sentence feature vectors obtained from the text feature extraction network (BiLSTM) to enable end-to-end training. Attention allows the system to assign different weights to neighbor nodes per label, thus allowing it to learn the dependencies among labels implicitly. The results of the proposed model are validated on five real-world MLTC datasets. The proposed model achieves similar or better performance compared to the previous state-of-the-art models.
Recently, deep multiagent reinforcement learning (MARL) has become a highly active research area as many real-world problems can be inherently viewed as multiagent systems. A particularly interesting and widely applicable class of problems is the partially observable cooperative multiagent setting, in which a team of agents learns to coordinate their behaviors conditioning on their private observations and commonly shared global reward signals. One natural solution is to resort to the centralized training and decentralized execution paradigm. During centralized training, one key challenge is the multiagent credit assignment: how to allocate the global rewards for individual agent policies for better coordination towards maximizing system-level's benefits. In this paper, we propose a new method called Q-value Path Decomposition (QPD) to decompose the system's global Q-values into individual agents' Q-values. Unlike previous works which restrict the representation relation of the individual Q-values and the global one, we leverage the integrated gradient attribution technique into deep MARL to directly decompose global Q-values along trajectory paths to assign credits for agents. We evaluate QPD on the challenging StarCraft II micromanagement tasks and show that QPD achieves the state-of-the-art performance in both homogeneous and heterogeneous multiagent scenarios compared with existing cooperative MARL algorithms.
When labeled training data is scarce, a promising data augmentation approach is to generate visual features of unknown classes using their attributes. To learn the class conditional distribution of CNN features, these models rely on pairs of image features and class attributes. Hence, they can not make use of the abundance of unlabeled data samples. In this paper, we tackle any-shot learning problems i.e. zero-shot and few-shot, in a unified feature generating framework that operates in both inductive and transductive learning settings. We develop a conditional generative model that combines the strength of VAE and GANs and in addition, via an unconditional discriminator, learns the marginal feature distribution of unlabeled images. We empirically show that our model learns highly discriminative CNN features for five datasets, i.e. CUB, SUN, AWA and ImageNet, and establish a new state-of-the-art in any-shot learning, i.e. inductive and transductive (generalized) zero- and few-shot learning settings. We also demonstrate that our learned features are interpretable: we visualize them by inverting them back to the pixel space and we explain them by generating textual arguments of why they are associated with a certain label.
Object detection is an important and challenging problem in computer vision. Although the past decade has witnessed major advances in object detection in natural scenes, such successes have been slow to aerial imagery, not only because of the huge variation in the scale, orientation and shape of the object instances on the earth's surface, but also due to the scarcity of well-annotated datasets of objects in aerial scenes. To advance object detection research in Earth Vision, also known as Earth Observation and Remote Sensing, we introduce a large-scale Dataset for Object deTection in Aerial images (DOTA). To this end, we collect $2806$ aerial images from different sensors and platforms. Each image is of the size about 4000-by-4000 pixels and contains objects exhibiting a wide variety of scales, orientations, and shapes. These DOTA images are then annotated by experts in aerial image interpretation using $15$ common object categories. The fully annotated DOTA images contains $188,282$ instances, each of which is labeled by an arbitrary (8 d.o.f.) quadrilateral To build a baseline for object detection in Earth Vision, we evaluate state-of-the-art object detection algorithms on DOTA. Experiments demonstrate that DOTA well represents real Earth Vision applications and are quite challenging.