Matching a source to a target probability measure is often solved by instantiating a linear optimal transport (OT) problem, parameterized by a ground cost function that quantifies discrepancy between points. When these measures live in the same metric space, the ground cost often defaults to its distance. When instantiated across two different spaces, however, choosing that cost in the absence of aligned data is a conundrum. As a result, practitioners often resort to solving instead a quadratic Gromow-Wasserstein (GW) problem. We exploit in this work a parallel between GW and cost-regularized OT, the regularized minimization of a linear OT objective parameterized by a ground cost. We use this cost-regularized formulation to match measures across two different Euclidean spaces, where the cost is evaluated between transformed source points and target points. We show that several quadratic OT problems fall in this category, and consider enforcing structure in linear transform (e.g. sparsity), by introducing structure-inducing regularizers. We provide a proximal algorithm to extract such transforms from unaligned data, and demonstrate its applicability to single-cell spatial transcriptomics/multiomics matching tasks.
We describe a new general method for segmentation in MRI scans using Topological Data Analysis (TDA), offering several advantages over traditional machine learning approaches. It works in three steps, first identifying the whole object to segment via automatic thresholding, then detecting a distinctive subset whose topology is known in advance, and finally deducing the various components of the segmentation. Although convoking classical ideas of TDA, such an algorithm has never been proposed separately from deep learning methods. To achieve this, our approach takes into account, in addition to the homology of the image, the localization of representative cycles, a piece of information that seems never to have been exploited in this context. In particular, it offers the ability to perform segmentation without the need for large annotated data sets. TDA also provides a more interpretable and stable framework for segmentation by explicitly mapping topological features to segmentation components. By adapting the geometric object to be detected, the algorithm can be adjusted to a wide range of data segmentation challenges. We carefully study the examples of glioblastoma segmentation in brain MRI, where a sphere is to be detected, as well as myocardium in cardiac MRI, involving a cylinder, and cortical plate detection in fetal brain MRI, whose 2D slices are circles. We compare our method to state-of-the-art algorithms.
In robust optimization problems, the magnitude of perturbations is relatively small. Consequently, solutions within certain regions are less likely to represent the robust optima when perturbations are introduced. Hence, a more efficient search process would benefit from increased opportunities to explore promising regions where global optima or good local optima are situated. In this paper, we introduce a novel robust evolutionary algorithm named the dual-stage robust evolutionary algorithm (DREA) aimed at discovering robust solutions. DREA operates in two stages: the peak-detection stage and the robust solution-searching stage. The primary objective of the peak-detection stage is to identify peaks in the fitness landscape of the original optimization problem. Conversely, the robust solution-searching stage focuses on swiftly identifying the robust optimal solution using information obtained from the peaks discovered in the initial stage. These two stages collectively enable the proposed DREA to efficiently obtain the robust optimal solution for the optimization problem. This approach achieves a balance between solution optimality and robustness by separating the search processes for optimal and robust optimal solutions. Experimental results demonstrate that DREA significantly outperforms five state-of-the-art algorithms across 18 test problems characterized by diverse complexities. Moreover, when evaluated on higher-dimensional robust optimization problems (100-$D$ and 200-$D$), DREA also demonstrates superior performance compared to all five counterpart algorithms.
We propose a novel data-driven semi-confirmatory factor analysis (SCFA) model that addresses the absence of model specification and handles the estimation and inference tasks with high-dimensional data. Confirmatory factor analysis (CFA) is a prevalent and pivotal technique for statistically validating the covariance structure of latent common factors derived from multiple observed variables. In contrast to other factor analysis methods, CFA offers a flexible covariance modeling approach for common factors, enhancing the interpretability of relationships between the common factors, as well as between common factors and observations. However, the application of classic CFA models faces dual barriers: the lack of a prerequisite specification of "non-zero loadings" or factor membership (i.e., categorizing the observations into distinct common factors), and the formidable computational burden in high-dimensional scenarios where the number of observed variables surpasses the sample size. To bridge these two gaps, we propose the SCFA model by integrating the underlying high-dimensional covariance structure of observed variables into the CFA model. Additionally, we offer computationally efficient solutions (i.e., closed-form uniformly minimum variance unbiased estimators) and ensure accurate statistical inference through closed-form exact variance estimators for all model parameters and factor scores. Through an extensive simulation analysis benchmarking against standard computational packages, SCFA exhibits superior performance in estimating model parameters and recovering factor scores, while substantially reducing the computational load, across both low- and high-dimensional scenarios. It exhibits moderate robustness to model misspecification. We illustrate the practical application of the SCFA model by conducting factor analysis on a high-dimensional gene expression dataset.
Incorporating symmetry as an inductive bias into multi-agent reinforcement learning (MARL) has led to improvements in generalization, data efficiency, and physical consistency. While prior research has succeeded in using perfect symmetry prior, the realm of partial symmetry in the multi-agent domain remains unexplored. To fill in this gap, we introduce the partially symmetric Markov game, a new subclass of the Markov game. We then theoretically show that the performance error introduced by utilizing symmetry in MARL is bounded, implying that the symmetry prior can still be useful in MARL even in partial symmetry situations. Motivated by this insight, we propose the Partial Symmetry Exploitation (PSE) framework that is able to adaptively incorporate symmetry prior in MARL under different symmetry-breaking conditions. Specifically, by adaptively adjusting the exploitation of symmetry, our framework is able to achieve superior sample efficiency and overall performance of MARL algorithms. Extensive experiments are conducted to demonstrate the superior performance of the proposed framework over baselines. Finally, we implement the proposed framework in real-world multi-robot testbed to show its superiority.
Comprehensive and accurate evaluation of general-purpose AI systems such as large language models allows for effective mitigation of their risks and deepened understanding of their capabilities. Current evaluation methodology, mostly based on benchmarks of specific tasks, falls short of adequately assessing these versatile AI systems, as present techniques lack a scientific foundation for predicting their performance on unforeseen tasks and explaining their varying performance on specific task items or user inputs. Moreover, existing benchmarks of specific tasks raise growing concerns about their reliability and validity. To tackle these challenges, we suggest transitioning from task-oriented evaluation to construct-oriented evaluation. Psychometrics, the science of psychological measurement, provides a rigorous methodology for identifying and measuring the latent constructs that underlie performance across multiple tasks. We discuss its merits, warn against potential pitfalls, and propose a framework to put it into practice. Finally, we explore future opportunities of integrating psychometrics with the evaluation of general-purpose AI systems.
The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.
Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.
Object detection is considered as one of the most challenging problems in computer vision, since it requires correct prediction of both classes and locations of objects in images. In this study, we define a more difficult scenario, namely zero-shot object detection (ZSD) where no visual training data is available for some of the target object classes. We present a novel approach to tackle this ZSD problem, where a convex combination of embeddings are used in conjunction with a detection framework. For evaluation of ZSD methods, we propose a simple dataset constructed from Fashion-MNIST images and also a custom zero-shot split for the Pascal VOC detection challenge. The experimental results suggest that our method yields promising results for ZSD.
Deep neural networks (DNNs) have been found to be vulnerable to adversarial examples resulting from adding small-magnitude perturbations to inputs. Such adversarial examples can mislead DNNs to produce adversary-selected results. Different attack strategies have been proposed to generate adversarial examples, but how to produce them with high perceptual quality and more efficiently requires more research efforts. In this paper, we propose AdvGAN to generate adversarial examples with generative adversarial networks (GANs), which can learn and approximate the distribution of original instances. For AdvGAN, once the generator is trained, it can generate adversarial perturbations efficiently for any instance, so as to potentially accelerate adversarial training as defenses. We apply AdvGAN in both semi-whitebox and black-box attack settings. In semi-whitebox attacks, there is no need to access the original target model after the generator is trained, in contrast to traditional white-box attacks. In black-box attacks, we dynamically train a distilled model for the black-box model and optimize the generator accordingly. Adversarial examples generated by AdvGAN on different target models have high attack success rate under state-of-the-art defenses compared to other attacks. Our attack has placed the first with 92.76% accuracy on a public MNIST black-box attack challenge.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.