Selective inference (SI) has been actively studied as a promising framework for statistical hypothesis testing for data-driven hypotheses. The basic idea of SI is to make inferences conditional on an event that a hypothesis is selected. In order to perform SI, this event must be characterized in a traceable form. When selection event is too difficult to characterize, additional conditions are introduced for tractability. This additional conditions often causes the loss of power, and this issue is referred to as over-conditioning in [Fithian et al., 2014]. Parametric programming-based SI (PP-based SI) has been proposed as one way to address the over-conditioning issue. The main problem of PP-based SI is its high computational cost due to the need to exhaustively explore the data space. In this study, we introduce a procedure to reduce the computational cost while guaranteeing the desired precision, by proposing a method to compute the lower and upper bounds of p-values. We also proposed three types of search strategies that efficiently improve these bounds. We demonstrate the effectiveness of the proposed method in hypothesis testing problems for feature selection in linear models and attention region identification in deep neural networks.
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Scientific modeling applications often require estimating a distribution of parameters consistent with a dataset of observations - an inference task also known as source distribution estimation. This problem can be ill-posed, however, since many different source distributions might produce the same distribution of data-consistent simulations. To make a principled choice among many equally valid sources, we propose an approach which targets the maximum entropy distribution, i.e., prioritizes retaining as much uncertainty as possible. Our method is purely sample-based - leveraging the Sliced-Wasserstein distance to measure the discrepancy between the dataset and simulations - and thus suitable for simulators with intractable likelihoods. We benchmark our method on several tasks, and show that it can recover source distributions with substantially higher entropy without sacrificing the fidelity of the simulations. Finally, to demonstrate the utility of our approach, we infer source distributions for parameters of the Hodgkin-Huxley neuron model from experimental datasets with thousands of measurements. In summary, we propose a principled framework for inferring unique source distributions of scientific simulator parameters while retaining as much uncertainty as possible.
Medical image segmentation has been significantly advanced by deep learning (DL) techniques, though the data scarcity inherent in medical applications poses a great challenge to DL-based segmentation methods. Self-supervised learning offers a solution by creating auxiliary learning tasks from the available dataset and then leveraging the knowledge acquired from solving auxiliary tasks to help better solve the target segmentation task. Different auxiliary tasks may have different properties and thus can help the target task to different extents. It is desired to leverage their complementary advantages to enhance the overall assistance to the target task. To achieve this, existing methods often adopt a joint training paradigm, which co-solves segmentation and auxiliary tasks by integrating their losses or intermediate gradients. However, direct coupling of losses or intermediate gradients risks undesirable interference because the knowledge acquired from solving each auxiliary task at every training step may not always benefit the target task. To address this issue, we propose a two-stage training approach. In the first stage, the target segmentation task will be independently co-solved with each auxiliary task in both joint training and pre-training modes, with the better model selected via validation performance. In the second stage, the models obtained with respect to each auxiliary task are converted into a single model using an ensemble knowledge distillation method. Our approach allows for making best use of each auxiliary task to create multiple elite segmentation models and then combine them into an even more powerful model. We employed five auxiliary tasks of different proprieties in our approach and applied it to train the U-Net model on an X-ray pneumothorax segmentation dataset. Experimental results demonstrate the superiority of our approach over several existing methods.
Bilevel optimization has been recently applied to many machine learning tasks. However, their applications have been restricted to the supervised learning setting, where static objective functions with benign structures are considered. But bilevel problems such as incentive design, inverse reinforcement learning (RL), and RL from human feedback (RLHF) are often modeled as dynamic objective functions that go beyond the simple static objective structures, which pose significant challenges of using existing bilevel solutions. To tackle this new class of bilevel problems, we introduce the first principled algorithmic framework for solving bilevel RL problems through the lens of penalty formulation. We provide theoretical studies of the problem landscape and its penalty-based (policy) gradient algorithms. We demonstrate the effectiveness of our algorithms via simulations in the Stackelberg Markov game, RL from human feedback and incentive design.
Dense 3D reconstruction has many applications in automated driving including automated annotation validation, multimodal data augmentation, providing ground truth annotations for systems lacking LiDAR, as well as enhancing auto-labeling accuracy. LiDAR provides highly accurate but sparse depth, whereas camera images enable estimation of dense depth but noisy particularly at long ranges. In this paper, we harness the strengths of both sensors and propose a multimodal 3D scene reconstruction using a framework combining neural implicit surfaces and radiance fields. In particular, our method estimates dense and accurate 3D structures and creates an implicit map representation based on signed distance fields, which can be further rendered into RGB images, and depth maps. A mesh can be extracted from the learned signed distance field and culled based on occlusion. Dynamic objects are efficiently filtered on the fly during sampling using 3D object detection models. We demonstrate qualitative and quantitative results on challenging automotive scenes.
Originally introduced as a neural network for ensemble learning, mixture of experts (MoE) has recently become a fundamental building block of highly successful modern deep neural networks for heterogeneous data analysis in several applications of machine learning and statistics. Despite its popularity in practice, a satisfactory level of theoretical understanding of the MoE model is far from complete. To shed new light on this problem, we provide a convergence analysis for maximum likelihood estimation (MLE) in the Gaussian-gated MoE model. The main challenge of that analysis comes from the inclusion of covariates in the Gaussian gating functions and expert networks, which leads to their intrinsic interaction via some partial differential equations with respect to their parameters. We tackle these issues by designing novel Voronoi loss functions among parameters to accurately capture the heterogeneity of parameter estimation rates. Our findings reveal that the MLE has distinct behaviors under two complement settings of location parameters of the Gaussian gating functions, namely when all these parameters are non-zero versus when at least one among them vanishes. Notably, these behaviors can be characterized by the solvability of two different systems of polynomial equations. Finally, we conduct a simulation study to empirically verify our theoretical results.
Privacy, scalability, and reliability are significant challenges in unmanned aerial vehicle (UAV) networks as distributed systems, especially when employing machine learning (ML) technologies with substantial data exchange. Recently, the application of federated learning (FL) to UAV networks has improved collaboration, privacy, resilience, and adaptability, making it a promising framework for UAV applications. However, implementing FL for UAV networks introduces drawbacks such as communication overhead, synchronization issues, scalability limitations, and resource constraints. To address these challenges, this paper presents the Blockchain-enabled Clustered and Scalable Federated Learning (BCS-FL) framework for UAV networks. This improves the decentralization, coordination, scalability, and efficiency of FL in large-scale UAV networks. The framework partitions UAV networks into separate clusters, coordinated by cluster head UAVs (CHs), to establish a connected graph. Clustering enables efficient coordination of updates to the ML model. Additionally, hybrid inter-cluster and intra-cluster model aggregation schemes generate the global model after each training round, improving collaboration and knowledge sharing among clusters. The numerical findings illustrate the achievement of convergence while also emphasizing the trade-offs between the effectiveness of training and communication efficiency.
Agent-based modeling and simulation has evolved as a powerful tool for modeling complex systems, offering insights into emergent behaviors and interactions among diverse agents. Integrating large language models into agent-based modeling and simulation presents a promising avenue for enhancing simulation capabilities. This paper surveys the landscape of utilizing large language models in agent-based modeling and simulation, examining their challenges and promising future directions. In this survey, since this is an interdisciplinary field, we first introduce the background of agent-based modeling and simulation and large language model-empowered agents. We then discuss the motivation for applying large language models to agent-based simulation and systematically analyze the challenges in environment perception, human alignment, action generation, and evaluation. Most importantly, we provide a comprehensive overview of the recent works of large language model-empowered agent-based modeling and simulation in multiple scenarios, which can be divided into four domains: cyber, physical, social, and hybrid, covering simulation of both real-world and virtual environments. Finally, since this area is new and quickly evolving, we discuss the open problems and promising future directions.
Spatio-temporal forecasting is challenging attributing to the high nonlinearity in temporal dynamics as well as complex location-characterized patterns in spatial domains, especially in fields like weather forecasting. Graph convolutions are usually used for modeling the spatial dependency in meteorology to handle the irregular distribution of sensors' spatial location. In this work, a novel graph-based convolution for imitating the meteorological flows is proposed to capture the local spatial patterns. Based on the assumption of smoothness of location-characterized patterns, we propose conditional local convolution whose shared kernel on nodes' local space is approximated by feedforward networks, with local representations of coordinate obtained by horizon maps into cylindrical-tangent space as its input. The established united standard of local coordinate system preserves the orientation on geography. We further propose the distance and orientation scaling terms to reduce the impacts of irregular spatial distribution. The convolution is embedded in a Recurrent Neural Network architecture to model the temporal dynamics, leading to the Conditional Local Convolution Recurrent Network (CLCRN). Our model is evaluated on real-world weather benchmark datasets, achieving state-of-the-art performance with obvious improvements. We conduct further analysis on local pattern visualization, model's framework choice, advantages of horizon maps and etc.
The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.
Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. Deep metric learning aims to learn deep neural networks for feature embeddings, distances of which satisfy given constraint. In deep metric learning, ensemble takes average of distances learned by multiple learners. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.
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