Adiabatic quantum computing (AQC) is a promising quantum computing approach for discrete and often NP-hard optimization problems. Current AQCs allow to implement problems of research interest, which has sparked the development of quantum representations for many machine learning and computer vision tasks. Despite requiring multiple measurements from the noisy AQC, current approaches only utilize the best measurement, discarding information contained in the remaining ones. In this work, we explore the potential of using this information for probabilistic balanced k-means clustering. Instead of discarding non-optimal solutions, we propose to use them to compute calibrated posterior probabilities with little additional compute cost. This allows us to identify ambiguous solutions and data points, which we demonstrate on a D-Wave AQC on synthetic and real data.

Mental disorders impact the lives of millions of people globally, not only impeding their day-to-day lives but also markedly reducing life expectancy. This paper addresses the persistent challenge of predicting mortality in patients with mental diagnoses using predictive machine-learning models with electronic health records (EHR). Data from patients with mental disease diagnoses were extracted from the well-known clinical MIMIC-III data set utilizing demographic, prescription, and procedural information. Four machine learning algorithms (Logistic Regression, Random Forest, Support Vector Machine, and K-Nearest Neighbors) were used, with results indicating that Random Forest and Support Vector Machine models outperformed others, with AUC scores of 0.911. Feature importance analysis revealed that drug prescriptions, particularly Morphine Sulfate, play a pivotal role in prediction. We applied a variety of machine learning algorithms to predict 30-day mortality followed by feature importance analysis. This study can be used to assist hospital workers in identifying at-risk patients to reduce excess mortality.

Accurately forecasting the motion of traffic actors is crucial for the deployment of autonomous vehicles at a large scale. Current trajectory forecasting approaches primarily concentrate on optimizing a loss function with a specific metric, which can result in predictions that do not adhere to physical laws or violate external constraints. Our objective is to incorporate explicit knowledge priors that allow a network to forecast future trajectories in compliance with both the kinematic constraints of a vehicle and the geometry of the driving environment. To achieve this, we introduce a non-parametric pruning layer and attention layers to integrate the defined knowledge priors. Our proposed method is designed to ensure reachability guarantees for traffic actors in both complex and dynamic situations. By conditioning the network to follow physical laws, we can obtain accurate and safe predictions, essential for maintaining autonomous vehicles' safety and efficiency in real-world settings.In summary, this paper presents concepts that prevent off-road predictions for safe and reliable motion forecasting by incorporating knowledge priors into the training process.

The core of clustering is incorporating prior knowledge to construct supervision signals. From classic k-means based on data compactness to recent contrastive clustering guided by self-supervision, the evolution of clustering methods intrinsically corresponds to the progression of supervision signals. At present, substantial efforts have been devoted to mining internal supervision signals from data. Nevertheless, the abundant external knowledge such as semantic descriptions, which naturally conduces to clustering, is regrettably overlooked. In this work, we propose leveraging external knowledge as a new supervision signal to guide clustering, even though it seems irrelevant to the given data. To implement and validate our idea, we design an externally guided clustering method (Text-Aided Clustering, TAC), which leverages the textual semantics of WordNet to facilitate image clustering. Specifically, TAC first selects and retrieves WordNet nouns that best distinguish images to enhance the feature discriminability. Then, to improve image clustering performance, TAC collaborates text and image modalities by mutually distilling cross-modal neighborhood information. Experiments demonstrate that TAC achieves state-of-the-art performance on five widely used and three more challenging image clustering benchmarks, including the full ImageNet-1K dataset.

Time series data, often characterized by unique composition and complex multi-scale temporal variations, requires special consideration of decomposition and multi-scale modeling in its analysis. Existing deep learning methods on this best fit to only univariate time series, and have not sufficiently accounted for sub-series level modeling and decomposition completeness. To address this, we propose MSD-Mixer, a Multi-Scale Decomposition MLP-Mixer which learns to explicitly decompose the input time series into different components, and represents the components in different layers. To handle multi-scale temporal patterns and inter-channel dependencies, we propose a novel temporal patching approach to model the time series as multi-scale sub-series, i.e., patches, and employ MLPs to mix intra- and inter-patch variations and channel-wise correlations. In addition, we propose a loss function to constrain both the magnitude and autocorrelation of the decomposition residual for decomposition completeness. Through extensive experiments on various real-world datasets for five common time series analysis tasks (long- and short-term forecasting, imputation, anomaly detection, and classification), we demonstrate that MSD-Mixer consistently achieves significantly better performance in comparison with other state-of-the-art task-general and task-specific approaches.

Trust-region (TR) and adaptive regularization using cubics (ARC) have proven to have some very appealing theoretical properties for non-convex optimization by concurrently computing function value, gradient, and Hessian matrix to obtain the next search direction and the adjusted parameters. Although stochastic approximations help largely reduce the computational cost, it is challenging to theoretically guarantee the convergence rate. In this paper, we explore a family of stochastic TR and ARC methods that can simultaneously provide inexact computations of the Hessian matrix, gradient, and function values. Our algorithms require much fewer propagations overhead per iteration than TR and ARC. We prove that the iteration complexity to achieve $\epsilon$-approximate second-order optimality is of the same order as the exact computations demonstrated in previous studies. Additionally, the mild conditions on inexactness can be met by leveraging a random sampling technology in the finite-sum minimization problem. Numerical experiments with a non-convex problem support these findings and demonstrate that, with the same or a similar number of iterations, our algorithms require less computational overhead per iteration than current second-order methods.

A major interest in longitudinal neuroimaging studies involves investigating voxel-level neuroplasticity due to treatment and other factors across visits. However, traditional voxel-wise methods are beset with several pitfalls, which can compromise the accuracy of these approaches. We propose a novel Bayesian tensor response regression approach for longitudinal imaging data, which pools information across spatially-distributed voxels to infer significant changes while adjusting for covariates. The proposed method, which is implemented using Markov chain Monte Carlo (MCMC) sampling, utilizes low-rank decomposition to reduce dimensionality and preserve spatial configurations of voxels when estimating coefficients. It also enables feature selection via joint credible regions which respect the shape of the posterior distributions for more accurate inference. In addition to group level inferences, the method is able to infer individual-level neuroplasticity, allowing for examination of personalized disease or recovery trajectories. The advantages of the proposed approach in terms of prediction and feature selection over voxel-wise regression are highlighted via extensive simulation studies. Subsequently, we apply the approach to a longitudinal Aphasia dataset consisting of task functional MRI images from a group of subjects who were administered either a control intervention or intention treatment at baseline and were followed up over subsequent visits. Our analysis revealed that while the control therapy showed long-term increases in brain activity, the intention treatment produced predominantly short-term changes, both of which were concentrated in distinct localized regions. In contrast, the voxel-wise regression failed to detect any significant neuroplasticity after multiplicity adjustments, which is biologically implausible and implies lack of power.

We generalized a modified exponentialized estimator by pushing the robust-optimal (RO) index $\lambda$ to $-\infty$ for achieving robustness to outliers by optimizing a quasi-Minimin function. The robustness is realized and controlled adaptively by the RO index without any predefined threshold. Optimality is guaranteed by expansion of the convexity region in the Hessian matrix to largely avoid local optima. Detailed quantitative analysis on both robustness and optimality are provided. The results of proposed experiments on fitting tasks for three noisy non-convex functions and the digits recognition task on the MNIST dataset consolidate the conclusions.

We study the performance of empirical risk minimization on the $p$-norm linear regression problem for $p \in (1, \infty)$. We show that, in the realizable case, under no moment assumptions, and up to a distribution-dependent constant, $O(d)$ samples are enough to exactly recover the target. Otherwise, for $p \in [2, \infty)$, and under weak moment assumptions on the target and the covariates, we prove a high probability excess risk bound on the empirical risk minimizer whose leading term matches, up to a constant that depends only on $p$, the asymptotically exact rate. We extend this result to the case $p \in (1, 2)$ under mild assumptions that guarantee the existence of the Hessian of the risk at its minimizer.

We initiate a novel approach to explain the out of sample performance of random forest (RF) models by exploiting the fact that any RF can be formulated as an adaptive weighted K nearest-neighbors model. Specifically, we use the proximity between points in the feature space learned by the RF to re-write random forest predictions exactly as a weighted average of the target labels of training data points. This linearity facilitates a local notion of explainability of RF predictions that generates attributions for any model prediction across observations in the training set, and thereby complements established methods like SHAP, which instead generates attributions for a model prediction across dimensions of the feature space. We demonstrate this approach in the context of a bond pricing model trained on US corporate bond trades, and compare our approach to various existing approaches to model explainability.