Flow-based models are widely used in generative tasks, including normalizing flow, where a neural network transports from a data distribution $P$ to a normal distribution. This work develops a flow-based model that transports from $P$ to an arbitrary $Q$ where both distributions are only accessible via finite samples. We propose to learn the dynamic optimal transport between $P$ and $Q$ by training a flow neural network. The model is trained to optimally find an invertible transport map between $P$ and $Q$ by minimizing the transport cost. The trained optimal transport flow subsequently allows for performing many downstream tasks, including infinitesimal density ratio estimation (DRE) and distribution interpolation in the latent space for generative models. The effectiveness of the proposed model on high-dimensional data is demonstrated by strong empirical performance on high-dimensional DRE, OT baselines, and image-to-image translation.
相關內容
Moment models with suitable closure can lead to accurate and computationally efficient solvers for particle transport. Hence, we propose a new asymptotic preserving scheme for the M1 model of linear transport that works uniformly for any Knudsen number. Our idea is to apply the M1 closure at the numerical level to an existing asymptotic preserving scheme for the corresponding kinetic equation, namely the Unified Gas Kinetic scheme (UGKS) originally proposed in [27] and extended to linear transport in [24]. In order to ensure the moments realizability in this new scheme, the UGKS positivity needs to be maintained. We propose a new density reconstruction in time to obtain this property. A second order extension is also suggested and validated. Several test cases show the performances of this new scheme.
Recent advances in neuroimaging have enabled studies in functional connectivity (FC) of human brain, alongside investigation of the neuronal basis of cognition. One important FC study is the representation of vision in human brain. The release of publicly available dataset BOLD5000 has made it possible to study the brain dynamics during visual tasks in greater detail. In this paper, a comprehensive analysis of fMRI time series (TS) has been performed to explore different types of visual brain networks (VBN). The novelty of this work lies in (1) constructing VBN with consistently significant direct connectivity using both marginal and partial correlation, which is further analyzed using graph theoretic measures, (2) classification of VBNs as formed by image complexity-specific TS, using graphical features. In image complexity-specific VBN classification, XGBoost yields average accuracy in the range of 86.5% to 91.5% for positively correlated VBN, which is 2% greater than that using negative correlation. This result not only reflects the distinguishing graphical characteristics of each image complexity-specific VBN, but also highlights the importance of studying both positively correlated and negatively correlated VBN to understand the how differently brain functions while viewing different complexities of real-world images.
Image information is restricted by the dynamic range of the detector, which can be addressed using multi-exposure image fusion (MEF). The conventional MEF approach employed in ptychography is often inadequate under conditions of low signal-to-noise ratio (SNR) or variations in illumination intensity. To address this, we developed a Bayesian approach for MEF based on a modified Poisson noise model that considers the background and saturation. Our method outperforms conventional MEF under challenging experimental conditions, as demonstrated by the synthetic and experimental data. Furthermore, this method is versatile and applicable to any imaging scheme requiring high dynamic range (HDR).
Uncertainty is a key feature of any machine learning model and is particularly important in neural networks, which tend to be overconfident. This overconfidence is worrying under distribution shifts, where the model performance silently degrades as the data distribution diverges from the training data distribution. Uncertainty estimation offers a solution to overconfident models, communicating when the output should (not) be trusted. Although methods for uncertainty estimation have been developed, they have not been explicitly linked to the field of explainable artificial intelligence (XAI). Furthermore, literature in operations research ignores the actionability component of uncertainty estimation and does not consider distribution shifts. This work proposes a general uncertainty framework, with contributions being threefold: (i) uncertainty estimation in ML models is positioned as an XAI technique, giving local and model-specific explanations; (ii) classification with rejection is used to reduce misclassifications by bringing a human expert in the loop for uncertain observations; (iii) the framework is applied to a case study on neural networks in educational data mining subject to distribution shifts. Uncertainty as XAI improves the model's trustworthiness in downstream decision-making tasks, giving rise to more actionable and robust machine learning systems in operations research.
Graph-based approximation methods are of growing interest in many areas, including transportation, biological and chemical networks, financial models, image processing, network flows, and more. In these applications, often a basis for the approximation space is not available analytically and must be computed. We propose perturbations of Lagrange bases on graphs, where the Lagrange functions come from a class of functions analogous to classical splines. The basis functions we consider have local support, with each basis function obtained by solving a small energy minimization problem related to a differential operator on the graph. We present $\ell_\infty$ error estimates between the local basis and the corresponding interpolatory Lagrange basis functions in cases where the underlying graph satisfies a mild assumption on the connections of vertices where the function is not known, and the theoretical bounds are examined further in numerical experiments. Included in our analysis is a mixed-norm inequality for positive definite matrices that is tighter than the general estimate $\|A\|_{\infty} \leq \sqrt{n} \|A\|_{2}$.
Clustering of publication networks is an efficient way to obtain classifications of large collections of research publications. Such classifications can be used to, e.g., detect research topics, normalize citation relations, or explore the publication output of a unit. Citation networks can be created using a variety of approaches. Best practices to obtain classifications using clustering have been investigated, in particular the performance of different publication-publication relatedness measures. However, evaluation of different approaches to normalization of citation relations have not been explored to the same extent. In this paper, we evaluate five approaches to normalization of direct citation relations with respect to clustering solution quality in four data sets. A sixth approach is evaluated using no normalization. To assess the quality of clustering solutions, we use three measures. (1) We compare the clustering solution to the reference lists of a set of publications using the Adjusted Rand Index. (2) Using the Sihouette width measure, we quantity to which extent the publications have relations to other clusters than the one they have been assigned to. (3) We propose a measure that captures publications that have probably been inaccurately assigned. The results clearly show that normalization is preferred over unnormalized direct citation relations. Furthermore, the results indicate that the fractional normalization approach, which can be considered the standard approach, causes inaccurate assignments. The geometric normalization approach has a similar performance as the fractional approach regarding Adjusted Rand Index and Silhouette width but leads to fewer inaccurate assignments. We therefore believe that the geometric approach may be preferred over the fractional approach.
Comparing graphs by means of optimal transport has recently gained significant attention, as the distances induced by optimal transport provide both a principled metric between graphs as well as an interpretable description of the associated changes between graphs in terms of a transport plan. As the lack of symmetry introduces challenges in the typically considered formulations, optimal transport distances for graphs have mostly been developed for undirected graphs. Here, we propose two distance measures to compare directed graphs based on variants of optimal transport: (i) an earth movers distance (Wasserstein) and (ii) a Gromov-Wasserstein (GW) distance. We evaluate these two distances and discuss their relative performance for both simulated graph data and real-world directed cell-cell communication graphs, inferred from single-cell RNA-seq data.
Markov networks are probabilistic graphical models that employ undirected graphs to depict conditional independence relationships among variables. Our focus lies in constraint-based structure learning, which entails learning the undirected graph from data through the execution of conditional independence tests. We establish theoretical limits concerning two critical aspects of constraint-based learning of Markov networks: the number of tests and the sizes of the conditioning sets. These bounds uncover an exciting interplay between the structural properties of the graph and the amount of tests required to learn a Markov network. The starting point of our work is that the graph parameter maximum pairwise connectivity, $\kappa$, that is, the maximum number of vertex-disjoint paths connecting a pair of vertices in the graph, is responsible for the sizes of independence tests required to learn the graph. On one hand, we show that at least one test with the size of the conditioning set at least $\kappa$ is always necessary. On the other hand, we prove that any graph can be learned by performing tests of size at most $\kappa$. This completely resolves the question of the minimum size of conditioning sets required to learn the graph. When it comes to the number of tests, our upper bound on the sizes of conditioning sets implies that every $n$-vertex graph can be learned by at most $n^{\kappa}$ tests with conditioning sets of sizes at most $\kappa$. We show that for any upper bound $q$ on the sizes of the conditioning sets, there exist graphs with $O(n q)$ vertices that require at least $n^{\Omega(\kappa)}$ tests to learn. This lower bound holds even when the treewidth and the maximum degree of the graph are at most $\kappa+2$. On the positive side, we prove that every graph of bounded treewidth can be learned by a polynomial number of tests with conditioning sets of sizes at most $2\kappa$.
In many experimental contexts, whether and how network interactions impact the outcome of interest for both treated and untreated individuals are key concerns. Networks data is often assumed to perfectly represent these possible interactions. This paper considers the problem of estimating treatment effects when measured connections are, instead, a noisy representation of the true spillover pathways. We show that existing methods, using the potential outcomes framework, yield biased estimators in the presence of this mismeasurement. We develop a new method, using a class of mixture models, that can account for missing connections and discuss its estimation via the Expectation-Maximization algorithm. We check our method's performance by simulating experiments on real network data from 43 villages in India. Finally, we use data from a previously published study to show that estimates using our method are more robust to the choice of network measure.
Recent advances in 3D fully convolutional networks (FCN) have made it feasible to produce dense voxel-wise predictions of volumetric images. In this work, we show that a multi-class 3D FCN trained on manually labeled CT scans of several anatomical structures (ranging from the large organs to thin vessels) can achieve competitive segmentation results, while avoiding the need for handcrafting features or training class-specific models. To this end, we propose a two-stage, coarse-to-fine approach that will first use a 3D FCN to roughly define a candidate region, which will then be used as input to a second 3D FCN. This reduces the number of voxels the second FCN has to classify to ~10% and allows it to focus on more detailed segmentation of the organs and vessels. We utilize training and validation sets consisting of 331 clinical CT images and test our models on a completely unseen data collection acquired at a different hospital that includes 150 CT scans, targeting three anatomical organs (liver, spleen, and pancreas). In challenging organs such as the pancreas, our cascaded approach improves the mean Dice score from 68.5 to 82.2%, achieving the highest reported average score on this dataset. We compare with a 2D FCN method on a separate dataset of 240 CT scans with 18 classes and achieve a significantly higher performance in small organs and vessels. Furthermore, we explore fine-tuning our models to different datasets. Our experiments illustrate the promise and robustness of current 3D FCN based semantic segmentation of medical images, achieving state-of-the-art results. Our code and trained models are available for download: //github.com/holgerroth/3Dunet_abdomen_cascade.
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