arXiv subjects

Ruoqi Zhao

Publications and source records attributed to Ruoqi Zhao.

7 recordsLinked to original sources

arXiv2026

The Interplay of Pauli Repulsion, Electrostatics, and Field Inhomogeneity for Blueshifting and Redshifting Vibrational Probe Molecules

Many molecules' vibrational frequencies are sensitive to intermolecular electric fields, enabling them to probe the field in complex molecular environments. However, it is often unclear whether the probe is responding to the local electric field or other types of intermolecular interactions, inhibiting interpretation of the frequency and effectiveness as probes. This is especially true of molecules whose vibrational frequencies blueshift instead of the more typical redshift in hydrogen bonding configurations. Here we computationally investigate the causes of redshifting versus blueshifting over a range of vibrational reporters. First, we apply adiabatic energy decomposition analysis to a paradigmatic set of probes, finding that redshifting only occurs when electrostatic interactions are strong enough to overcome the dominant and large blueshifting contribution of Pauli repulsion. Furthermore, we demonstrate that field inhomogeneity can further shift the frequency of many probes substantially to either reinforce or counteract the shift expected from a homogeneous field. We find that redshifting is reinforced by electric field inhomogeneity, otherwise field inhomogeneity further weakens the electrostatic contribution relative to Pauli repulsion, leading to blueshifting. Further calculations indicate that the probe's response to field inhomogeneity can be understood by considering the mass of the atoms involved in the stretching mode and sign of the electric field. In explaining the interplay of different intermolecular interactions and field inhomogeneity for many probes, our results should enable the use and interpretation of spectroscopic probes and their connection to electric fields in more complex systems.

physics.chem-ph↗

arXiv2025

Human Locomotion Implicit Modeling Based Real-Time Gait Phase Estimation

Gait phase estimation based on inertial measurement unit (IMU) signals facilitates precise adaptation of exoskeletons to individual gait variations. However, challenges remain in achieving high accuracy and robustness, particularly during periods of terrain changes. To address this, we develop a gait phase estimation neural network based on implicit modeling of human locomotion, which combines temporal convolution for feature extraction with transformer layers for multi-channel information fusion. A channel-wise masked reconstruction pre-training strategy is proposed, which first treats gait phase state vectors and IMU signals as joint observations of human locomotion, thus enhancing model generalization. Experimental results demonstrate that the proposed method outperforms existing baseline approaches, achieving a gait phase RMSE of $2.729 \pm 1.071%$ and phase rate MAE of $0.037 \pm 0.016%$ under stable terrain conditions with a look-back window of 2 seconds, and a phase RMSE of $3.215 \pm 1.303%$ and rate MAE of $0.050 \pm 0.023%$ under terrain transitions. Hardware validation on a hip exoskeleton further confirms that the algorithm can reliably identify gait cycles and key events, adapting to various continuous motion scenarios. This research paves the way for more intelligent and adaptive exoskeleton systems, enabling safer and more efficient human-robot interaction across diverse real-world environments.

cs.RO↗

arXiv2025

Can Charge Transfer Across C-H...O Hydrogen Bonds Stabilize Oil Droplets in Water?

Oil-water emulsions resist aggregation due to the presence of negative charges at their surface that leads to mutual repulsion between droplets, but the molecular origin of oil charge is currently under debate. While much evidence has suggested that ionic species must accumulate at the interface, an alternative perspective attributes the negative charge on the oil droplet to charge transfer of electron density from water to oil molecules. While the charge transfer mechanism is consistent with the correct sign of oil charge, it is just as important to provide good estimates of the charge magnitude to explain emulsion stability and electrophoresis experiments. Here we show using energy decomposition analysis that the amount of net flow of charge from water to oil is negligibly small due to nearly equal forward and backward charge transfer through weak oil-water interactions, such that oil droplets would be unstable and coalesce, contrary to experiment. The lack of charge transfer also explains why vibrational sum frequency scattering reports a blue shift in the oil C-H frequency when forming emulsions with water, which arises from Pauli repulsion due to localized confinement at the interface. Finally, unlike ions, neither charge transfer nor dynamic polarization can produce a finite conductivity needed to couple to electric fields that would explain electrophoretic mobility.

physics.chem-ph↗

arXiv2024

The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets

A wide variety of reactions are reported to be dramatically accelerated in aqueous microdroplets, making them a promising platform for environmentally clean chemical synthesis. However to fully utilize the microdroplets for accelerating chemical reactions requires a fundamental understanding of how microdroplet chemistry differs from that of a homogeneous phase. Here we provide our perspective on recent progress to this end both experimentally and theoretically. We begin by reviewing the many ways in which microdroplets can be prepared, creating water/hydrophobic interfaces which have been frequently implicated in microdroplet reactivity due to preferential surface adsorption of solutes, persistent electric fields, and their acidity or basicity. These features of the interface interplay with specific mechanisms proposed for microdroplet reactivity, including partial solvation and possible gas phase channels. We especially highlight the role of droplet charge, which appears key to understanding how certain reactions, like the formation of hydrogen peroxide and reduced transition metal complexes, are thermodynamically possible in microdroplets. Lastly, we emphasize opportunities for theoretical advances in the microdroplet field generally, and to suggest experiments which would greatly enhance our understanding of this fascinating and emerging subject.

physics.chem-ph↗

arXiv2024

Terrain-Aware Stride-Level Trajectory Forecasting for a Powered Hip Exoskeleton via Vision and Kinematics Fusion

Powered hip exoskeletons have shown the ability for locomotion assistance during treadmill walking. However, providing suitable assistance in real-world walking scenarios which involve changing terrain remains challenging. Recent research suggests that forecasting the lower limb joint's angles could provide target trajectories for exoskeletons and prostheses, and the performance could be improved with visual information. In this letter, We share a real-world dataset of 10 healthy subjects walking through five common types of terrain with stride-level label. We design a network called Sandwich Fusion Transformer for Image and Kinematics (SFTIK), which predicts the thigh angle of the ensuing stride given the terrain images at the beginning of the preceding and the ensuing stride and the IMU time series during the preceding stride. We introduce width-level patchify, tailored for egocentric terrain images, to reduce the computational demands. We demonstrate the proposed sandwich input and fusion mechanism could significantly improve the forecasting performance. Overall, the SFTIK outperforms baseline methods, achieving a computational efficiency of 3.31 G Flops, and root mean square error (RMSE) of 3.445 \textpm \ 0.804\textdegree \ and Pearson's correlation coefficient (PCC) of 0.971 \textpm\ 0.025. The results demonstrate that SFTIK could forecast the thigh's angle accurately with low computational cost, which could serve as a terrain adaptive trajectory planning method for hip exoskeletons. Codes and data are available at https://github.com/RuoqiZhao116/SFTIK.

cs.RO↗

arXiv2024

MLP Based Continuous Gait Recognition of a Powered Ankle Prosthesis with Serial Elastic Actuator

Powered ankle prostheses effectively assist people with lower limb amputation to perform daily activities. High performance prostheses with adjustable compliance and capability to predict and implement amputee's intent are crucial for them to be comparable to or better than a real limb. However, current designs fail to provide simple yet effective compliance of the joint with full potential of modification, and lack accurate gait prediction method in real time. This paper proposes an innovative design of powered ankle prosthesis with serial elastic actuator (SEA), and puts forward a MLP based gait recognition method that can accurately and continuously predict more gait parameters for motion sensing and control. The prosthesis mimics biological joint with similar weight, torque, and power which can assist walking of up to 4 m/s. A new design of planar torsional spring is proposed for the SEA, which has better stiffness, endurance, and potential of modification than current designs. The gait recognition system simultaneously generates locomotive speed, gait phase, ankle angle and angular velocity only utilizing signals of single IMU, holding advantage in continuity, adaptability for speed range, accuracy, and capability of multi-functions.

cs.RO↗

arXiv2023

CSPM: A Contrastive Spatiotemporal Preference Model for CTR Prediction in On-Demand Food Delivery Services

Click-through rate (CTR) prediction is a crucial task in the context of an online on-demand food delivery (OFD) platform for precisely estimating the probability of a user clicking on food items. Unlike universal e-commerce platforms such as Taobao and Amazon, user behaviors and interests on the OFD platform are more location and time-sensitive due to limited delivery ranges and regional commodity supplies. However, existing CTR prediction algorithms in OFD scenarios concentrate on capturing interest from historical behavior sequences, which fails to effectively model the complex spatiotemporal information within features, leading to poor performance. To address this challenge, this paper introduces the Contrastive Sres under different search states using three modules: contrastive spatiotemporal representation learning (CSRL), spatiotemporal preference extractor (StPE), and spatiotemporal information filter (StIF). CSRL utilizes a contrastive learning framework to generate a spatiotemporal activation representation (SAR) for the search action. StPE employs SAR to activate users' diverse preferences related to location and time from the historical behavior sequence field, using a multi-head attention mechanism. StIF incorporates SAR into a gating network to automatically capture important features with latent spatiotemporal effects. Extensive experiments conducted on two large-scale industrial datasets demonstrate the state-of-the-art performance of CSPM. Notably, CSPM has been successfully deployed in Alibaba's online OFD platform Ele.me, resulting in a significant 0.88% lift in CTR, which has substantial business implications.

cs.IR↗