Aerial Manipulator Systems (AMS) have garnered significant interest for their utility in aerial operations. Nonetheless, challenges related to the manipulator's limited stiffness and the coupling disturbance with manipulator movement persist. This paper introduces the Aerial Tendon-Driven Manipulator (ATDM), an innovative AMS that integrates a hexrotor Unmanned Aerial Vehicle (UAV) with a 4-degree-of-freedom (4-DOF) anthropomorphic tendon-driven manipulator. The design of the manipulator is anatomically inspired, emulating the human arm anatomy from the shoulder joint downward. To enhance the structural integrity and performance, finite element topology optimization and lattice optimization are employed on the links to replicate the radially graded structure characteristic of bone, this approach effectively reduces weight and inertia while simultaneously maximizing stiffness. A novel tensioning mechanism with adjustable tension is introduced to address cable relaxation, and a Tension-amplification tendon mechanism is implemented to increase the manipulator's overall stiffness and output. The paper presents a kinematic model based on virtual coupled joints, a comprehensive workspace analysis, and detailed calculations of output torques and stiffness for individual arm joints. The prototype arm has a total weight of 2.7 kg, with the end effector contributing only 0.818 kg. By positioning all actuators at the base, coupling disturbance are minimized. The paper includes a detailed mechanical design and validates the system's performance through semi-physical multi-body dynamics simulations, confirming the efficacy of the proposed design.

To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have demonstrated ability to predict various properties of materials with the level of accuracy similar to explicit calculation of quantum mechanical theories, but with significantly reduced run time and computational resources. Within ML, graph neural networks have emerged as an important algorithm within the field of machine learning, since they are capable of predicting accurately a wide range of important physical, chemical and electronic properties due to their higher learning ability based on the graph representation of material and molecular descriptors through the aggregation of information embedded within the graph. In parallel with the development of state of the art classical machine learning applications, the fusion of quantum computing and machine learning have created a new paradigm where classical machine learning model can be augmented with quantum layers which are able to encode high dimensional data more efficiently. Leveraging the structure of existing algorithms, we developed a unique and novel gradient free hybrid quantum classical convoluted graph neural network (HyQCGNN) to predict formation energies of perovskite materials. The performance of our hybrid statistical model is competitive with the results obtained purely from a classical convoluted graph neural network, and other classical machine learning algorithms, such as XGBoost. Consequently, our study suggests a new pathway to explore how quantum feature encoding and parametric quantum circuits can yield drastic improvements of complex ML algorithm like graph neural network.

Prompt and effective corrective actions in response to unexpected contingencies are crucial for improving power system resilience and preventing cascading blackouts. The optimal load shedding (OLS) accounting for network limits has the potential to address the diverse system-wide impacts of contingency scenarios as compared to traditional local schemes. However, due to the fast cascading propagation of initial contingencies, real-time OLS solutions are challenging to attain in large systems with high computation and communication needs. In this paper, we propose a decentralized design that leverages offline training of a neural network (NN) model for individual load centers to autonomously construct the OLS solutions from locally available measurements. Our learning-for-OLS approach can greatly reduce the computation and communication needs during online emergency responses, thus preventing the cascading propagation of contingencies for enhanced power grid resilience. Numerical studies on both the IEEE 118-bus system and a synthetic Texas 2000-bus system have demonstrated the efficiency and effectiveness of our scalable OLS learning design for timely power system emergency operations.

In this paper, we present a new computer-controlled weaving technology that enables the fabrication of woven structures in the shape of given 3D surfaces by using threads in non-traditional materials with high bending-stiffness, allowing for multiple applications with the resultant woven fabrics. A new weaving machine and a new manufacturing process are developed to realize the function of 3D surface weaving by the principle of short-row shaping. A computational solution is investigated to convert input 3D freeform surfaces into the corresponding weaving operations (indicated as W-code) to guide the operation of this system. A variety of examples using cotton threads, conductive threads and optical fibres are fabricated by our prototype system to demonstrate its functionality.

In the smart grid, the prosumers can sell unused electricity back to the power grid, assuming the prosumers own renewable energy sources and storage units. The maximizing of their profits under a dynamic electricity market is a problem that requires intelligent planning. To address this, we propose a framework based on Proximal Policy Optimization (PPO) using recurrent rewards. By using the information about the rewards modeled effectively with PPO to maximize our objective, we were able to get over 30\% improvement over the other naive algorithms in accumulating total profits. This shows promise in getting reinforcement learning algorithms to perform tasks required to plan their actions in complex domains like financial markets. We also introduce a novel method for embedding longs based on soliton waves that outperformed normal embedding in our use case with random floating point data augmentation.

Neural operators, as a powerful approximation to the non-linear operators between infinite-dimensional function spaces, have proved to be promising in accelerating the solution of partial differential equations (PDE). However, it requires a large amount of simulated data, which can be costly to collect. This can be avoided by learning physics from the physics-constrained loss, which we refer to it as mean squared residual (MSR) loss constructed by the discretized PDE. We investigate the physical information in the MSR loss, which we called long-range entanglements, and identify the challenge that the neural network requires the capacity to model the long-range entanglements in the spatial domain of the PDE, whose patterns vary in different PDEs. To tackle the challenge, we propose LordNet, a tunable and efficient neural network for modeling various entanglements. Inspired by the traditional solvers, LordNet models the long-range entanglements with a series of matrix multiplications, which can be seen as the low-rank approximation to the general fully-connected layers and extracts the dominant pattern with reduced computational cost. The experiments on solving Poisson's equation and (2D and 3D) Navier-Stokes equation demonstrate that the long-range entanglements from the MSR loss can be well modeled by the LordNet, yielding better accuracy and generalization ability than other neural networks. The results show that the Lordnet can be $40\times$ faster than traditional PDE solvers. In addition, LordNet outperforms other modern neural network architectures in accuracy and efficiency with the smallest parameter size.

Model Predictive Control (MPC) has exhibited remarkable capabilities in optimizing objectives and meeting constraints. However, the substantial computational burden associated with solving the Optimal Control Problem (OCP) at each triggering instant introduces significant delays between state sampling and control application. These delays limit the practicality of MPC in resource-constrained systems when engaging in complex tasks. The intuition to address this issue in this paper is that by predicting the successor state, the controller can solve the OCP one time step ahead of time thus avoiding the delay of the next action. To this end, we compute deviations between real and nominal system states, predicting forthcoming real states as initial conditions for the imminent OCP solution. Anticipatory computation stores optimal control based on current nominal states, thus mitigating the delay effects. Additionally, we establish an upper bound for linearization error, effectively linearizing the nonlinear system, reducing OCP complexity, and enhancing response speed. We provide empirical validation through two numerical simulations and corresponding real-world robot tasks, demonstrating significant performance improvements and augmented response speed (up to $90\%$) resulting from the seamless integration of our proposed approach compared to conventional time-triggered MPC strategies.

Recent progress of deep generative models in the vision and language domain has stimulated significant interest in more structured data generation such as molecules. However, beyond generating new random molecules, efficient exploration and a comprehensive understanding of the vast chemical space are of great importance to molecular science and applications in drug design and materials discovery. In this paper, we propose a new framework, ChemFlow, to traverse chemical space through navigating the latent space learned by molecule generative models through flows. We introduce a dynamical system perspective that formulates the problem as learning a vector field that transports the mass of the molecular distribution to the region with desired molecular properties or structure diversity. Under this framework, we unify previous approaches on molecule latent space traversal and optimization and propose alternative competing methods incorporating different physical priors.

Technological advancements have substantially increased computational power and data availability, enabling the application of powerful machine-learning (ML) techniques across various fields. However, our ability to leverage ML methods for scientific discovery, {\it i.e.} to obtain fundamental and formalized knowledge about natural processes, is still in its infancy. In this review, we explore how the scientific community can increasingly leverage ML techniques to achieve scientific discoveries. We observe that the applicability and opportunity of ML depends strongly on the nature of the problem domain, and whether we have full ({\it e.g.}, turbulence), partial ({\it e.g.}, computational biochemistry), or no ({\it e.g.}, neuroscience) {\it a-priori} knowledge about the governing equations and physical properties of the system. Although challenges remain, principled use of ML is opening up new avenues for fundamental scientific discoveries. Throughout these diverse fields, there is a theme that ML is enabling researchers to embrace complexity in observational data that was previously intractable to classic analysis and numerical investigations.

Non--Contact Atomic Force Microscopy with CO--functionalized metal tips (referred to as HR-AFM) provides access to the internal structure of individual molecules adsorbed on a surface with totally unprecedented resolution. Previous works have shown that deep learning (DL) models can retrieve the chemical and structural information encoded in a 3D stack of constant-height HR--AFM images, leading to molecular identification. In this work, we overcome their limitations by using a well-established description of the molecular structure in terms of topological fingerprints, the 1024--bit Extended Connectivity Chemical Fingerprints of radius 2 (ECFP4), that were developed for substructure and similarity searching. ECFPs provide local structural information of the molecule, each bit correlating with a particular substructure within the molecule. Our DL model is able to extract this optimized structural descriptor from the 3D HR--AFM stacks and use it, through virtual screening, to identify molecules from their predicted ECFP4 with a retrieval accuracy on theoretical images of 95.4\%. Furthermore, this approach, unlike previous DL models, assigns a confidence score, the Tanimoto similarity, to each of the candidate molecules, thus providing information on the reliability of the identification. By construction, the number of times a certain substructure is present in the molecule is lost during the hashing process, necessary to make them useful for machine learning applications. We show that it is possible to complement the fingerprint-based virtual screening with global information provided by another DL model that predicts from the same HR--AFM stacks the chemical formula, boosting the identification accuracy up to a 97.6\%. Finally, we perform a limited test with experimental images, obtaining promising results towards the application of this pipeline under real conditions