We propose a deep neural network (DNN) based least distance (LD) estimator (DNN-LD) for a multivariate regression problem, addressing the limitations of the conventional methods. Due to the flexibility of a DNN structure, both linear and nonlinear conditional mean functions can be easily modeled, and a multivariate regression model can be realized by simply adding extra nodes at the output layer. The proposed method is more efficient in capturing the dependency structure among responses than the least squares loss, and robust to outliers. In addition, we consider $L_1$-type penalization for variable selection, crucial in analyzing high-dimensional data. Namely, we propose what we call (A)GDNN-LD estimator that enjoys variable selection and model estimation simultaneously, by applying the (adaptive) group Lasso penalty to weight parameters in the DNN structure. For the computation, we propose a quadratic smoothing approximation method to facilitate optimizing the non-smooth objective function based on the least distance loss. The simulation studies and a real data analysis demonstrate the promising performance of the proposed method.
The typical phases of Bayesian network (BN) structured development include specification of purpose and scope, structure development, parameterisation and validation. Structure development is typically focused on qualitative issues and parameterisation quantitative issues, however there are qualitative and quantitative issues that arise in both phases. A common step that occurs after the initial structure has been developed is to perform a rough parameterisation that only captures and illustrates the intended qualitative behaviour of the model. This is done prior to a more rigorous parameterisation, ensuring that the structure is fit for purpose, as well as supporting later development and validation. In our collective experience and in discussions with other modellers, this step is an important part of the development process, but is under-reported in the literature. Since the practice focuses on qualitative issues, despite being quantitative in nature, we call this step qualitative parameterisation and provide an outline of its role in the BN development process.
This paper proposes a novel approach to improve the training efficiency and the generalization performance of Feed Forward Neural Networks (FFNNs) resorting to an optimal rescaling of input features (OFR) carried out by a Genetic Algorithm (GA). The OFR reshapes the input space improving the conditioning of the gradient-based algorithm used for the training. Moreover, the scale factors exploration entailed by GA trials and selection corresponds to different initialization of the first layer weights at each training attempt, thus realizing a multi-start global search algorithm (even though restrained to few weights only) which fosters the achievement of a global minimum. The approach has been tested on a FFNN modeling the outcome of a real industrial process (centerless grinding).
We present a fully-integrated lattice Boltzmann (LB) method for fluid--structure interaction (FSI) simulations that efficiently models deformable solids in complex suspensions and active systems. Our Eulerian method (LBRMT) couples finite-strain solids to the LB fluid on the same fixed computational grid with the reference map technique (RMT). An integral part of the LBRMT is a new LB boundary condition for moving deformable interfaces across different densities. With this fully Eulerian solid--fluid coupling, the LBRMT is well-suited for parallelization and simulating multi-body contact without remeshing or extra meshes. We validate its accuracy via a benchmark of a deformable solid in a lid-driven cavity, then showcase its versatility through examples of soft solids rotating and settling. With simulations of complex suspensions mixing, we highlight potentials of the LBRMT for studying collective behavior in soft matter and biofluid dynamics.
Neural networks excel at discovering statistical patterns in high-dimensional data sets. In practice, higher-order cumulants, which quantify the non-Gaussian correlations between three or more variables, are particularly important for the performance of neural networks. But how efficient are neural networks at extracting features from higher-order cumulants? We study this question in the spiked cumulant model, where the statistician needs to recover a privileged direction or "spike" from the order-$p\ge 4$ cumulants of $d$-dimensional inputs. We first characterise the fundamental statistical and computational limits of recovering the spike by analysing the number of samples $n$ required to strongly distinguish between inputs from the spiked cumulant model and isotropic Gaussian inputs. We find that statistical distinguishability requires $n\gtrsim d$ samples, while distinguishing the two distributions in polynomial time requires $n \gtrsim d^2$ samples for a wide class of algorithms, i.e. those covered by the low-degree conjecture. These results suggest the existence of a wide statistical-to-computational gap in this problem. Numerical experiments show that neural networks learn to distinguish the two distributions with quadratic sample complexity, while "lazy" methods like random features are not better than random guessing in this regime. Our results show that neural networks extract information from higher-order correlations in the spiked cumulant model efficiently, and reveal a large gap in the amount of data required by neural networks and random features to learn from higher-order cumulants.
Neural circuits are composed of multiple regions, each with rich dynamics and engaging in communication with other regions. The combination of local, within-region dynamics and global, network-level dynamics is thought to provide computational flexibility. However, the nature of such multiregion dynamics and the underlying synaptic connectivity patterns remain poorly understood. Here, we study the dynamics of recurrent neural networks with multiple interconnected regions. Within each region, neurons have a combination of random and structured recurrent connections. Motivated by experimental evidence of communication subspaces between cortical areas, these networks have low-rank connectivity between regions, enabling selective routing of activity. These networks exhibit two interacting forms of dynamics: high-dimensional fluctuations within regions and low-dimensional signal transmission between regions. To characterize this interaction, we develop a dynamical mean-field theory to analyze such networks in the limit where each region contains infinitely many neurons, with cross-region currents as key order parameters. Regions can act as both generators and transmitters of activity, roles that we show are in conflict. Specifically, taming the complexity of activity within a region is necessary for it to route signals to and from other regions. Unlike previous models of routing in neural circuits, which suppressed the activities of neuronal groups to control signal flow, routing in our model is achieved by exciting different high-dimensional activity patterns through a combination of connectivity structure and nonlinear recurrent dynamics. This theory provides insight into the interpretation of both multiregion neural data and trained neural networks.
Colocalization analyses assess whether two traits are affected by the same or distinct causal genetic variants in a single gene region. A class of Bayesian colocalization tests are now routinely used in practice; for example, for genetic analyses in drug development pipelines. In this work, we consider an alternative frequentist approach to colocalization testing that examines the proportionality of genetic associations with each trait. The proportional colocalization approach uses markedly different assumptions to Bayesian colocalization tests, and therefore can provide valuable complementary evidence in cases where Bayesian colocalization results are inconclusive or sensitive to priors. We propose a novel conditional test of proportional colocalization, prop-coloc-cond, that aims to account for the uncertainty in variant selection, in order to recover accurate type I error control. The test can be implemented straightforwardly, requiring only summary data on genetic associations. Simulation evidence and an empirical investigation into GLP1R gene expression demonstrates how tests of proportional colocalization can offer important insights in conjunction with Bayesian colocalization tests.
We introduce a new stochastic algorithm for solving entropic optimal transport (EOT) between two absolutely continuous probability measures $\mu$ and $\nu$. Our work is motivated by the specific setting of Monge-Kantorovich quantiles where the source measure $\mu$ is either the uniform distribution on the unit hypercube or the spherical uniform distribution. Using the knowledge of the source measure, we propose to parametrize a Kantorovich dual potential by its Fourier coefficients. In this way, each iteration of our stochastic algorithm reduces to two Fourier transforms that enables us to make use of the Fast Fourier Transform (FFT) in order to implement a fast numerical method to solve EOT. We study the almost sure convergence of our stochastic algorithm that takes its values in an infinite-dimensional Banach space. Then, using numerical experiments, we illustrate the performances of our approach on the computation of regularized Monge-Kantorovich quantiles. In particular, we investigate the potential benefits of entropic regularization for the smooth estimation of multivariate quantiles using data sampled from the target measure $\nu$.
We provide full theoretical guarantees for the convergence behaviour of diffusion-based generative models under the assumption of strongly log-concave data distributions while our approximating class of functions used for score estimation is made of Lipschitz continuous functions. We demonstrate via a motivating example, sampling from a Gaussian distribution with unknown mean, the powerfulness of our approach. In this case, explicit estimates are provided for the associated optimization problem, i.e. score approximation, while these are combined with the corresponding sampling estimates. As a result, we obtain the best known upper bound estimates in terms of key quantities of interest, such as the dimension and rates of convergence, for the Wasserstein-2 distance between the data distribution (Gaussian with unknown mean) and our sampling algorithm. Beyond the motivating example and in order to allow for the use of a diverse range of stochastic optimizers, we present our results using an $L^2$-accurate score estimation assumption, which crucially is formed under an expectation with respect to the stochastic optimizer and our novel auxiliary process that uses only known information. This approach yields the best known convergence rate for our sampling algorithm.
For training registration networks, weak supervision from segmented corresponding regions-of-interest (ROIs) have been proven effective for (a) supplementing unsupervised methods, and (b) being used independently in registration tasks in which unsupervised losses are unavailable or ineffective. This correspondence-informing supervision entails cost in annotation that requires significant specialised effort. This paper describes a semi-weakly-supervised registration pipeline that improves the model performance, when only a small corresponding-ROI-labelled dataset is available, by exploiting unlabelled image pairs. We examine two types of augmentation methods by perturbation on network weights and image resampling, such that consistency-based unsupervised losses can be applied on unlabelled data. The novel WarpDDF and RegCut approaches are proposed to allow commutative perturbation between an image pair and the predicted spatial transformation (i.e. respective input and output of registration networks), distinct from existing perturbation methods for classification or segmentation. Experiments using 589 male pelvic MR images, labelled with eight anatomical ROIs, show the improvement in registration performance and the ablated contributions from the individual strategies. Furthermore, this study attempts to construct one of the first computational atlases for pelvic structures, enabled by registering inter-subject MRs, and quantifies the significant differences due to the proposed semi-weak supervision with a discussion on the potential clinical use of example atlas-derived statistics.
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.