This paper introduces a new sparse unmixing technique using archetypal analysis (SUnAA). First, we design a new model based on archetypal analysis. We assume that the endmembers of interest are a convex combination of endmembers provided by a spectral library and that the number of endmembers of interest is known. Then, we propose a minimization problem. Unlike most conventional sparse unmixing methods, here the minimization problem is non-convex. We minimize the optimization objective iteratively using an active set algorithm. Our method is robust to the initialization and only requires the number of endmembers of interest. SUnAA is evaluated using two simulated datasets for which results confirm its better performance over other conventional and advanced techniques in terms of signal-to-reconstruction error. SUnAA is also applied to Cuprite dataset and the results are compared visually with the available geological map provided for this dataset. The qualitative assessment demonstrates the successful estimation of the minerals abundances and significantly improves the detection of dominant minerals compared to the conventional regression-based sparse unmixing methods. The Python implementation of SUnAA can be found at: https://github.com/BehnoodRasti/SUnAA.

This paper investigates the influence of the internal geometrical structure of soft pneu-nets on the dynamic response and hysteresis of the actuators. The research findings indicate that by strategically manipulating the stress distribution within soft robots, it is possible to enhance the dynamic response while reducing hysteresis. The study utilizes the Finite Element Method (FEM) and includes experimental validation through markerless motion tracking of the soft robot. In particular, the study examines actuator bending angles up to 500% strain while achieving 95% accuracy in predicting the bending angle. The results demonstrate that the particular design with the minimum air chamber width in the center significantly improves both high- and low-frequency hysteresis behavior by 21.5% while also enhancing dynamic response by 60% to 112% across various frequencies and peak-to-peak pressures. Consequently, the paper evaluates the effectiveness of "mechanically programming" stress distribution and distributed energy storage within soft robots to maximize their dynamic performance, offering direct benefits for control.

Cross-domain and cross-compositional generalization of Text-to-SQL semantic parsing is a challenging task. Existing Large Language Model (LLM) based solutions rely on inference-time retrieval of few-shot exemplars from the training set to synthesize a run-time prompt for each Natural Language (NL) test query. In contrast, we devise an algorithm which performs offline sampling of a minimal set-of few-shots from the training data, with complete coverage of SQL clauses, operators and functions, and maximal domain coverage within the allowed token length. This allows for synthesis of a fixed Generic Prompt (GP), with a diverse set-of exemplars common across NL test queries, avoiding expensive test time exemplar retrieval. We further auto-adapt the GP to the target database domain (DA-GP), to better handle cross-domain generalization; followed by a decomposed Least-To-Most-Prompting (LTMP-DA-GP) to handle cross-compositional generalization. The synthesis of LTMP-DA-GP is an offline task, to be performed one-time per new database with minimal human intervention. Our approach demonstrates superior performance on the KaggleDBQA dataset, designed to evaluate generalizability for the Text-to-SQL task. We further showcase consistent performance improvement of LTMP-DA-GP over GP, across LLMs and databases of KaggleDBQA, highlighting the efficacy and model agnostic benefits of our prompt based adapt and decompose approach.

We explore the equivalence between neural networks and kernel methods by deriving the first exact representation of any finite-size parametric classification model trained with gradient descent as a kernel machine. We compare our exact representation to the well-known Neural Tangent Kernel (NTK) and discuss approximation error relative to the NTK and other non-exact path kernel formulations. We experimentally demonstrate that the kernel can be computed for realistic networks up to machine precision. We use this exact kernel to show that our theoretical contribution can provide useful insights into the predictions made by neural networks, particularly the way in which they generalize.

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the wealth of information implicit in available data. With the recent advancements in graph neural networks (GNNs), there has been a surge in GNN-based approaches for time series analysis. These approaches can explicitly model inter-temporal and inter-variable relationships, which traditional and other deep neural network-based methods struggle to do. In this survey, we provide a comprehensive review of graph neural networks for time series analysis (GNN4TS), encompassing four fundamental dimensions: forecasting, classification, anomaly detection, and imputation. Our aim is to guide designers and practitioners to understand, build applications, and advance research of GNN4TS. At first, we provide a comprehensive task-oriented taxonomy of GNN4TS. Then, we present and discuss representative research works and introduce mainstream applications of GNN4TS. A comprehensive discussion of potential future research directions completes the survey. This survey, for the first time, brings together a vast array of knowledge on GNN-based time series research, highlighting foundations, practical applications, and opportunities of graph neural networks for time series analysis.

We present a neural network-based simulation super-resolution framework that can efficiently and realistically enhance a facial performance produced by a low-cost, realtime physics-based simulation to a level of detail that closely approximates that of a reference-quality off-line simulator with much higher resolution (26x element count in our examples) and accurate physical modeling. Our approach is rooted in our ability to construct - via simulation - a training set of paired frames, from the low- and high-resolution simulators respectively, that are in semantic correspondence with each other. We use face animation as an exemplar of such a simulation domain, where creating this semantic congruence is achieved by simply dialing in the same muscle actuation controls and skeletal pose in the two simulators. Our proposed neural network super-resolution framework generalizes from this training set to unseen expressions, compensates for modeling discrepancies between the two simulations due to limited resolution or cost-cutting approximations in the real-time variant, and does not require any semantic descriptors or parameters to be provided as input, other than the result of the real-time simulation. We evaluate the efficacy of our pipeline on a variety of expressive performances and provide comparisons and ablation experiments for plausible variations and alternatives to our proposed scheme.

Robotic underwater systems, e.g., Autonomous Underwater Vehicles (AUVs) and Remotely Operated Vehicles (ROVs), are promising tools for collecting biogeochemical data at the ice-water interface for scientific advancements. However, state estimation, i.e., localization, is a well-known problem for robotic systems, especially, for the ones that travel underwater. In this paper, we present a tightly-coupled multi-sensors fusion framework to increase localization accuracy that is robust to sensor failure. Visual images, Doppler Velocity Log (DVL), Inertial Measurement Unit (IMU) and Pressure sensor are integrated into the state-of-art Multi-State Constraint Kalman Filter (MSCKF) for state estimation. Besides that a new keyframe-based state clone mechanism and a new DVL-aided feature enhancement are presented to further improve the localization performance. The proposed method is validated with a data set collected in the field under frozen ice, and the result is compared with 6 other different sensor fusion setups. Overall, the result with the keyframe enabled and DVL-aided feature enhancement yields the best performance with a Root-mean-square error of less than 2 m compared to the ground truth path with a total traveling distance of about 200 m.

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs model performance. We suggest the asymmetric unit cell as a representation to reduce the number of atoms by using all symmetries of the system. This substantially reduced the computational cost and thus time needed to train large graph neural networks without any loss in accuracy. Furthermore, with a simple but systematically built GNN architecture based on message passing and line graph templates, we introduce a general architecture (Nested Graph Network, NGN) that is applicable to a wide range of tasks. We show that our suggested models systematically improve state-of-the-art results across all tasks within the MatBench benchmark. Further analysis shows that optimized connectivity and deeper message functions are responsible for the improvement. Asymmetric unit cells and connectivity optimization can be generally applied to (crystal) graph networks, while our suggested nested graph framework will open new ways of systematic comparison of GNN architectures.

Automaton-based representations of task knowledge play an important role in control and planning for sequential decision-making problems. However, obtaining the high-level task knowledge required to build such automata is often difficult. Meanwhile, large-scale generative language models (GLMs) can automatically generate relevant task knowledge. However, the textual outputs from GLMs cannot be formally verified or used for sequential decision-making. We propose a novel algorithm named GLM2FSA, which constructs a finite state automaton (FSA) encoding high-level task knowledge from a brief natural-language description of the task goal. GLM2FSA first sends queries to a GLM to extract task knowledge in textual form, and then it builds an FSA to represent this text-based knowledge. The proposed algorithm thus fills the gap between natural-language task descriptions and automaton-based representations, and the constructed FSA can be formally verified against user-defined specifications. We accordingly propose a method to iteratively refine the queries to the GLM based on the outcomes, e.g., counter-examples, from verification. We demonstrate GLM2FSA's ability to build and refine automaton-based representations of everyday tasks (e.g., crossing a road), and also of tasks that require highly-specialized knowledge (e.g., executing secure multi-party computation).

Neural networks have revolutionized the field of machine learning with increased predictive capability. In addition to improving the predictions of neural networks, there is a simultaneous demand for reliable uncertainty quantification on estimates made by machine learning methods such as neural networks. Bayesian neural networks (BNNs) are an important type of neural network with built-in capability for quantifying uncertainty. This paper discusses aleatoric and epistemic uncertainty in BNNs and how they can be calculated. With an example dataset of images where the goal is to identify the amplitude of an event in the image, it is shown that epistemic uncertainty tends to be lower in images which are well-represented in the training dataset and tends to be high in images which are not well-represented. An algorithm for out-of-distribution (OoD) detection with BNN epistemic uncertainty is introduced along with various experiments demonstrating factors influencing the OoD detection capability in a BNN. The OoD detection capability with epistemic uncertainty is shown to be comparable to the OoD detection in the discriminator network of a generative adversarial network (GAN) with comparable network architecture.