Extracting governing physics from data is a key challenge in many areas of science and technology. The existing techniques for equations discovery are dependent on both input and state measurements; however, in practice, we only have access to the output measurements only. We here propose a novel framework for learning governing physics of dynamical system from output only measurements; this essentially transfers the physics discovery problem from the deterministic to the stochastic domain. The proposed approach models the input as a stochastic process and blends concepts of stochastic calculus, sparse learning algorithms, and Bayesian statistics. In particular, we combine sparsity promoting spike and slab prior, Bayes law, and Euler Maruyama scheme to identify the governing physics from data. The resulting model is highly efficient and works with sparse, noisy, and incomplete output measurements. The efficacy and robustness of the proposed approach is illustrated on several numerical examples involving both complete and partial state measurements. The results obtained indicate the potential of the proposed approach in identifying governing physics from output only measurement.

Several researchers have focused on studying driver cognitive behavior and mental load for in-vehicle interaction while driving. Adaptive interfaces that vary with mental and perceptual load levels could help in reducing accidents and enhancing the driver experience. In this paper, we analyze the effects of mental workload and perceptual load on psychophysiological dimensions and provide a machine learning-based framework for mental and perceptual load estimation in a dual task scenario for in-vehicle interaction (https://github.com/amrgomaaelhady/MWL-PL-estimator). We use off-the-shelf non-intrusive sensors that can be easily integrated into the vehicle's system. Our statistical analysis shows that while mental workload influences some psychophysiological dimensions, perceptual load shows little effect. Furthermore, we classify the mental and perceptual load levels through the fusion of these measurements, moving towards a real-time adaptive in-vehicle interface that is personalized to user behavior and driving conditions. We report up to 89% mental workload classification accuracy and provide a real-time minimally-intrusive solution.

We demonstrate the first Recurrent Neural Network architecture for learning Signal Temporal Logic formulas, and present the first systematic comparison of formula inference methods. Legacy systems embed much expert knowledge which is not explicitly formalized. There is great interest in learning formal specifications that characterize the ideal behavior of such systems -- that is, formulas in temporal logic that are satisfied by the system's output signals. Such specifications can be used to better understand the system's behavior and improve design of its next iteration. Previous inference methods either assumed certain formula templates, or did a heuristic enumeration of all possible templates. This work proposes a neural network architecture that infers the formula structure via gradient descent, eliminating the need for imposing any specific templates. It combines learning of formula structure and parameters in one optimization. Through systematic comparison, we demonstrate that this method achieves similar or better mis-classification rates (MCR) than enumerative and lattice methods. We also observe that different formulas can achieve similar MCR, empirically demonstrating the under-determinism of the problem of temporal logic inference.

Locally Linear Embedding (LLE) is a nonlinear spectral dimensionality reduction and manifold learning method. It has two main steps which are linear reconstruction and linear embedding of points in the input space and embedding space, respectively. In this work, we look at the linear reconstruction step from a stochastic perspective where it is assumed that every data point is conditioned on its linear reconstruction weights as latent factors. The stochastic linear reconstruction of LLE is solved using expectation maximization. We show that there is a theoretical connection between three fundamental dimensionality reduction methods, i.e., LLE, factor analysis, and probabilistic Principal Component Analysis (PCA). The stochastic linear reconstruction of LLE is formulated similar to the factor analysis and probabilistic PCA. It is also explained why factor analysis and probabilistic PCA are linear and LLE is a nonlinear method. This work combines and makes a bridge between two broad approaches of dimensionality reduction, i.e., the spectral and probabilistic algorithms.

Effective learning from electronic health records (EHR) data for prediction of clinical outcomes is often challenging because of features recorded at irregular timesteps and loss to follow-up as well as competing events such as death or disease progression. To that end, we propose a generative time-to-event model, SurvLatent ODE, which adopts an Ordinary Differential Equation-based Recurrent Neural Networks (ODE-RNN) as an encoder to effectively parameterize dynamics of latent states under irregularly sampled input data. Our model then utilizes the resulting latent embedding to flexibly estimate survival times for multiple competing events without specifying shapes of event-specific hazard function. We demonstrate competitive performance of our model on MIMIC-III, a freely-available longitudinal dataset collected from critical care units, on predicting hospital mortality as well as the data from the Dana-Farber Cancer Institute (DFCI) on predicting onset of Venous Thromboembolism (VTE), a life-threatening complication for patients with cancer, with death as a competing event. SurvLatent ODE outperforms the current clinical standard Khorana Risk scores for stratifying VTE risk groups, while providing clinically meaningful and interpretable latent representations.

Artificial neural networks (ANNs), despite their universal function approximation capability and practical success, are subject to catastrophic forgetting. Catastrophic forgetting refers to the abrupt unlearning of a previous task when a new task is learned. It is an emergent phenomenon that hinders continual learning. Existing universal function approximation theorems for ANNs guarantee function approximation ability, but do not predict catastrophic forgetting. This paper presents a novel universal approximation theorem for multi-variable functions using only single-variable functions and exponential functions. Furthermore, we present ATLAS: a novel ANN architecture based on the new theorem. It is shown that ATLAS is a universal function approximator capable of some memory retention, and continual learning. The memory of ATLAS is imperfect, with some off-target effects during continual learning, but it is well-behaved and predictable. An efficient implementation of ATLAS is provided. Experiments are conducted to evaluate both the function approximation and memory retention capabilities of ATLAS.

Inverse design of short single-stranded RNA and DNA sequences (aptamers) is the task of finding sequences that satisfy a set of desired criteria. Relevant criteria may be, for example, the presence of specific folding motifs, binding to molecular ligands, sensing properties, etc. Most practical approaches to aptamer design identify a small set of promising candidate sequences using high-throughput experiments (e.g. SELEX), and then optimize performance by introducing only minor modifications to the empirically found candidates. Sequences that possess the desired properties but differ drastically in chemical composition will add diversity to the search space and facilitate the discovery of useful nucleic acid aptamers. Systematic diversification protocols are needed. Here we propose to use an unsupervised machine learning model known as the Potts model to discover new, useful sequences with controllable sequence diversity. We start by training a Potts model using the maximum entropy principle on a small set of empirically identified sequences unified by a common feature. To generate new candidate sequences with a controllable degree of diversity, we take advantage of the model's spectral feature: an energy bandgap separating sequences that are similar to the training set from those that are distinct. By controlling the Potts energy range that is sampled, we generate sequences that are distinct from the training set yet still likely to have the encoded features. To demonstrate performance, we apply our approach to design diverse pools of sequences with specified secondary structure motifs in 30-mer RNA and DNA aptamers.

Despite the vast empirical success of neural networks, theoretical understanding of the training procedures remains limited, especially in providing performance guarantees of testing performance due to the non-convex nature of the optimization problem. The current paper investigates an alternative approach of neural network training by reducing to another problem with convex structure -- to solve a monotone variational inequality (MVI) -- inspired by a recent work of (Juditsky & Nemirovsky, 2019). The solution to MVI can be found by computationally efficient procedures, and importantly, this leads to performance guarantee of $\ell_2$ and $\ell_{\infty}$ bounds on model recovery and prediction accuracy under the theoretical setting of training a single-layer linear neural network. In addition, we study the use of MVI for training multi-layer neural networks and propose a practical algorithm called \textit{stochastic variational inequality} (SVI), and demonstrate its applicability in training fully-connected neural networks and graph neural networks (GNN) (SVI is completely general and can be used to train other types of neural networks). We demonstrate the competitive or better performance of SVI compared to widely-used stochastic gradient descent methods on both synthetic and real network data prediction tasks regarding various performance metrics, especially in the improved efficiency in the early stage of training.

This paper presents Dense Siamese Network (DenseSiam), a simple unsupervised learning framework for dense prediction tasks. It learns visual representations by maximizing the similarity between two views of one image with two types of consistency, i.e., pixel consistency and region consistency. Concretely, DenseSiam first maximizes the pixel level spatial consistency according to the exact location correspondence in the overlapped area. It also extracts a batch of region embeddings that correspond to some sub-regions in the overlapped area to be contrasted for region consistency. In contrast to previous methods that require negative pixel pairs, momentum encoders or heuristic masks, DenseSiam benefits from the simple Siamese network and optimizes the consistency of different granularities. It also proves that the simple location correspondence and interacted region embeddings are effective enough to learn the similarity. We apply DenseSiam on ImageNet and obtain competitive improvements on various downstream tasks. We also show that only with some extra task-specific losses, the simple framework can directly conduct dense prediction tasks. On an existing unsupervised semantic segmentation benchmark, it surpasses state-of-the-art segmentation methods by 2.1 mIoU with 28% training costs. Code and models are released at https://github.com/ZwwWayne/DenseSiam.

Teeth segmentation is an important topic in dental restorations that is essential for crown generation, diagnosis, and treatment planning. In the dental field, the variability of input data is high and there are no publicly available 3D dental arch datasets. Although there has been improvement in the field provided by recent deep learning architectures on 3D data, there still exists some problems such as properly identifying missing teeth in an arch. We propose to use spectral clustering as a self-supervisory signal to joint-train neural networks for segmentation of 3D arches. Our approach is motivated by the observation that K-means clustering provides cues to capture margin lines related to human perception. The main idea is to automatically generate training data by decomposing unlabeled 3D arches into segments relying solely on geometric information. The network is then trained using a joint loss that combines a supervised loss of annotated input and a self-supervised loss of non-labeled input. Our collected data has a variety of arches including arches with missing teeth. Our experimental results show improvement over the fully supervised state-of-the-art MeshSegNet when using semi-supervised learning. Finally, we contribute code and a dataset.