Miracle-dz/UniFAR-FTUs huggingface dataset:
Electron-Photon Exchange-Correlation Approximation for QEDFT

Quantum-electrodynamical density-functional theory (QEDFT) provides a promising avenue for exploring complex light-matter interactions in optical cavities for real materials. Similar to conventional density-functional theory, the Kohn-Sham formulation of QEDFT needs approximations for the generally unknown exchange-correlation functional. In addition to the usual electron-electron exchange-correlation potential, an approximation for the electron-photon exchange-correlation potential is needed. A recent electron-photon exchange functional [C. Sch\"afer et al., Proc. Natl. Acad. Sci. USA, 118, e2110464118 (2021), https://www.pnas. org/doi/abs/10.1073/pnas.2110464118], derived from the equation of motion of the non-relativistic Pauli-Fierz Hamiltonian, shows robust performance in one-dimensional systems across weak- and strong-coupling regimes. Yet, its performance in reproducing electron densities in higher dimensions remains unexplored. Here we consider this QEDFT functional approximation from one to three-dimensional finite systems and across weak to strong light-matter couplings. The electron-photon exchange approximation provides excellent results in the ultra-strong-coupling regime. However, to ensure accuracy also in the weak-coupling regime across higher dimensions, we introduce a computationally efficient renormalization factor for the electron-photon exchange functional, which accounts for part of the electron-photon correlation contribution. These findings extend the applicability of photon-exchange-based functionals to realistic cavity-matter systems, fostering the field of cavity QED (quantum electrodynamics) materials engineering.
LoraRetriever: Input-Aware LoRA Retrieval and Composition for Mixed Tasks in the Wild

Low-Rank Adaptation (LoRA) provides an effective yet efficient solution for fine-tuning large language models (LLM). The modular and plug-and-play nature of LoRA enables the integration of diverse domain-specific LoRAs to enhance the capabilities of LLMs. Previous research on exploiting multiple LoRAs either focuses on specific isolated downstream tasks or fixes the selection of LoRAs during training. However, in real-world scenarios, LLMs receive diverse prompts covering different tasks, and the pool of candidate LoRAs is often dynamically updated. To bridge this gap, we propose LoraRetriever, a retrieve-then-compose framework that adaptively retrieves and composes multiple LoRAs according to the input prompts. LoraRetriever contains three main components: firstly, identifying and retrieving LoRAs relevant to the given input; secondly, formulating strategies for effectively integrating the retrieved LoRAs; and thirdly, developing efficient batch inference to accommodate heterogeneous requests. Experimental results indicate that LoraRetriever consistently outperforms the baselines, highlighting its practical effectiveness and versatility.
Review of the Learning-based Camera and Lidar Simulation Methods for Autonomous Driving Systems

Perception sensors, particularly camera and Lidar, are key elements of Autonomous Driving Systems (ADS) that enable them to comprehend their surroundings for informed driving and control decisions. Therefore, developing realistic camera and Lidar simulation methods, also known as camera and Lidar models, is of paramount importance to effectively conduct simulation-based testing for ADS. Moreover, the rise of deep learning-based perception models has propelled the prevalence of perception sensor models as valuable tools for synthesising diverse training datasets. The traditional sensor simulation methods rely on computationally expensive physics-based algorithms, specifically in complex systems such as ADS. Hence, the current potential resides in learning-based models, driven by the success of deep generative models in synthesising high-dimensional data. This paper reviews the current state-of-the-art in learning-based sensor simulation methods and validation approaches, focusing on two main types of perception sensors: cameras and Lidars. This review covers two categories of learning-based approaches, namely raw-data-based and object-based models. Raw-data-based methods are explained concerning the employed learning strategy, while object-based models are categorised based on the type of error considered. Finally, the paper illustrates commonly used validation techniques for evaluating perception sensor models and highlights the existing research gaps in the area.
Stochastic differential equations for performance analysis of wireless communication systems

This paper addresses the difficulty of characterizing the time-varying nature of fading channels. The current time-invariant models often fall short of capturing and tracking these dynamic characteristics. To overcome this limitation, we explore using of stochastic differential equations (SDEs) and Markovian projection to model signal envelope variations, considering scenarios involving Rayleigh, Rice, and Hoyt distributions. Furthermore, it is of practical interest to study the performance of channels modeled by SDEs. In this work, we investigate the fade duration metric, representing the time during which the signal remains below a specified threshold within a fixed time interval. We estimate the complementary cumulative distribution function (CCDF) of the fade duration using Monte Carlo simulations, and analyze the influence of system parameters on its behavior. Finally, we leverage importance sampling, a known variance-reduction technique, to estimate the tail of the CCDF efficiently.
Neural-network based high-speed volumetric dynamic optical coherence tomography

We demonstrate deep-learning neural network (NN)-based dynamic optical coherence tomography (DOCT), which generates high-quality logarithmic-intensity-variance (LIV) DOCT images from only four OCT frames. The NN model is trained for tumor spheroid samples using a customized loss function: the weighted mean absolute error. This loss function enables highly accurate LIV image generation. The fidelity of the generated LIV images to the ground truth LIV images generated using 32 OCT frames is examined via subjective image observation and statistical analysis of image-based metrics. Fast volumetric DOCT imaging with an acquisition time of 6.55 s/volume is demonstrated using this NN-based method.
RLEEGNet: Integrating Brain-Computer Interfaces with Adaptive AI for Intuitive Responsiveness and High-Accuracy Motor Imagery Classification

Current approaches to prosthetic control are limited by their reliance on traditional methods, which lack real-time adaptability and intuitive responsiveness. These limitations are particularly pronounced in assistive technologies designed for individuals with diverse cognitive states and motor intentions. In this paper, we introduce a framework that leverages Reinforcement Learning (RL) with Deep Q-Networks (DQN) for classification tasks. Additionally, we present a preprocessing technique using the Common Spatial Pattern (CSP) for multiclass motor imagery (MI) classification in a One-Versus-The-Rest (OVR) manner. The subsequent 'csp space' transformation retains the temporal dimension of EEG signals, crucial for extracting discriminative features. The integration of DQN with a 1D-CNN-LSTM architecture optimizes the decision-making process in real-time, thereby enhancing the system's adaptability to the user's evolving needs and intentions. We elaborate on the data processing methods for two EEG motor imagery datasets. Our innovative model, RLEEGNet, incorporates a 1D-CNN-LSTM architecture as the Online Q-Network within the DQN, facilitating continuous adaptation and optimization of control strategies through feedback. This mechanism allows the system to learn optimal actions through trial and error, progressively improving its performance. RLEEGNet demonstrates high accuracy in classifying MI-EEG signals, achieving as high as 100% accuracy in MI tasks across both the GigaScience (3-class) and BCI-IV-2a (4-class) datasets. These results highlight the potential of combining DQN with a 1D-CNN-LSTM architecture to significantly enhance the adaptability and responsiveness of BCI systems.
C3NN: Cosmological Correlator Convolutional Neural Network -- an interpretable machine learning tool for cosmological analyses

Modern cosmological research in large scale structure has witnessed an increasing number of applications of machine learning methods. Among them, Convolutional Neural Networks (CNNs) have received substantial attention due to their outstanding performance in image classification, cosmological parameter inference and various other tasks. However, many models which make use of CNNs are criticized as"black boxes"due to the difficulties in relating their outputs intuitively and quantitatively to the cosmological fields under investigation. To overcome this challenge, we present the Cosmological Correlator Convolutional Neural Network (C3NN) -- a fusion of CNN architecture with the framework of cosmological N-point correlation functions (NPCFs). We demonstrate that the output of this model can be expressed explicitly in terms of the analytically tractable NPCFs. Together with other auxiliary algorithms, we are able to open the"black box"by quantitatively ranking different orders of the interpretable convolution outputs based on their contribution to classification tasks. As a proof of concept, we demonstrate this by applying our framework to a series of binary classification tasks using Gaussian and Log-normal random fields and relating its outputs to the analytical NPCFs describing the two fields. Furthermore, we exhibit the model's ability to distinguish different dark energy scenarios ($w_0=-0.95$ and $-1.05$) using N-body simulated weak lensing convergence maps and discuss the physical implications coming from their interpretability. With these tests, we show that C3NN combines advanced aspects of machine learning architectures with the framework of cosmological NPCFs, thereby making it an exciting tool with the potential to extract physical insights in a robust and explainable way from observational data.
Degrees of the Wasserstein Distance to Small Toric Models

The study of the closest point(s) on a statistical model from a given distribution in the probability simplex with respect to a fixed Wasserstein metric gives rise to a polyhedral norm distance optimization problem. There are two components to the complexity of determining the Wasserstein distance from a data point to a model. One is the combinatorial complexity that is governed by the combinatorics of the Lipschitz polytope of the finite metric to be used. Another is the algebraic complexity, which is governed by the polar degrees of the Zariski closure of the model. We find formulas for the polar degrees of rational normal scrolls and graphical models whose underlying graphs are star trees. Also, the polar degrees of the graphical models with four binary random variables where the graphs are a path on four vertices and the four-cycle, as well as for small, no-three-way interaction models, were computed. We investigate the algebraic degree of computing the Wasserstein distance to a small subset of these models. It was observed that this algebraic degree is typically smaller than the corresponding polar degree.
Linear Depth QFT over IBM Heavy-hex Architecture

Compiling a given quantum algorithm into a target hardware architecture is a challenging optimization problem. The compiler must take into consideration the coupling graph of physical qubits and the gate operation dependencies. The existing noise in hardware architectures requires the compilation to use as few running cycles as possible. Existing approaches include using SAT solver or heuristics to complete the mapping but these may cause the issue of either long compilation time (e.g., timeout after hours) or suboptimal compilation results in terms of running cycles (e.g., exponentially increasing number of total cycles). In this paper, we propose an efficient mapping approach for Quantum Fourier Transformation (QFT) circuits over the existing IBM heavy-hex architecture. Such proposal first of all turns the architecture into a structure consisting of a straight line with dangling qubits, and then do the mapping over this generated structure recursively. The calculation shows that there is a linear depth upper bound for the time complexity of these structures and for a special case where there is 1 dangling qubit in every 5 qubits, the time complexity is 5N+O(1). All these results are better than state of the art methods.
Tactile-Informed Action Primitives Mitigate Jamming in Dense Clutter

It is difficult for robots to retrieve objects in densely cluttered lateral access scenes with movable objects as jamming against adjacent objects and walls can inhibit progress. We propose the use of two action primitives -- burrowing and excavating -- that can fluidize the scene to un-jam obstacles and enable continued progress. Even when these primitives are implemented in an open loop manner at clock-driven intervals, we observe a decrease in the final distance to the target location. Furthermore, we combine the primitives into a closed loop hybrid control strategy using tactile and proprioceptive information to leverage the advantages of both primitives without being overly disruptive. In doing so, we achieve a 10-fold increase in success rate above the baseline control strategy and significantly improve completion times as compared to the primitives alone or a naive combination of them.
ProtChatGPT: Towards Understanding Proteins with Large Language Models

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending task-specific knowledge, suggesting the potential for ChatGPT-like systems specialized in protein to facilitate basic research. In this work, we introduce ProtChatGPT, which aims at learning and understanding protein structures via natural languages. ProtChatGPT enables users to upload proteins, ask questions, and engage in interactive conversations to produce comprehensive answers. The system comprises protein encoders, a Protein-Language Pertaining Transformer (PLP-former), a projection adapter, and an LLM. The protein first undergoes protein encoders and PLP-former to produce protein embeddings, which are then projected by the adapter to conform with the LLM. The LLM finally combines user questions with projected embeddings to generate informative answers. Experiments show that ProtChatGPT can produce promising responses to proteins and their corresponding questions. We hope that ProtChatGPT could form the basis for further exploration and application in protein research. Code and our pre-trained model will be publicly available.
Seismic evidence of the Hainan mantle plume by receiver function analysis in southern China

The Lei‐Qiong region is the largest igneous province in southern China and may be a surface expression of a mantle plume beneath the region (the Hainan mantle plume). To investigate the existence of the Hainan mantle plume, we used P‐to‐S receiver function to image the major seismic discontinuities beneath this region with a regional dense broadband array. We found that the Moho discontinuity beneath the Leizhou Peninsula, mostly covered by Cenozoic basaltic outcrops, is 10–15 km deeper compared to the adjacent region of Eurasian continental margin, showing a thickened local crust by upwelling mantle materials. Additionally, the imaged 410‐ and 660‐km discontinuities suggest a thinner‐than‐normal mantle transition zone beneath the region, implying that hot materials penetrate through the transition zone from the lower mantle. Both seismic evidences support the existence of the mantle plume, which might be 170–200°C hotter than the surrounding mantle.
A Comparative Study of Conventional and Tripolar EEG for High-Performance Reach-to-Grasp BCI Systems

This study aims to enhance BCI applications for individuals with motor impairments by comparing the effectiveness of tripolar EEG (tEEG) with conventional EEG. The focus is on interpreting and decoding various grasping movements, such as power grasp and precision grasp. The goal is to determine which EEG technology is more effective in processing and translating grasp related neural signals. The approach involved experimenting on ten healthy participants who performed two distinct grasp movements: power grasp and precision grasp, with a no movement condition serving as the baseline. Our research presents a thorough comparison between EEG and tEEG in decoding grasping movements. This comparison spans several key parameters, including signal to noise ratio (SNR), spatial resolution via functional connectivity, ERPs, and wavelet time frequency analysis. Additionally, our study involved extracting and analyzing statistical features from the wavelet coefficients, and both binary and multiclass classification methods were employed. Four machine learning algorithms were used to evaluate the decoding accuracies. Our results indicated that tEEG demonstrated superior performance over conventional EEG in various aspects. This included a higher signal to noise ratio, enhanced spatial resolution, and more informative data in ERPs and wavelet time frequency analysis. The use of tEEG led to notable improvements in decoding accuracy for differentiating movement types. Specifically, tEEG achieved around 90% accuracy in binary and 75.97% for multiclass classification. These results are markedly better than those from standard EEG, which recorded a maximum of 77.85% and 61.27% in similar tasks, respectively. These findings highlight the superior effectiveness of tEEG over EEG in decoding grasp types and its competitive or superior performance in complex classifications compared with existing research.
Neural 5G Indoor Localization with IMU Supervision

Radio signals are well suited for user localization because they are ubiquitous, can operate in the dark and maintain privacy. Many prior works learn mappings between channel state information (CSI) and position fully-supervised. However, that approach relies on position labels which are very expensive to acquire. In this work, this requirement is relaxed by using pseudo-labels during deployment, which are calculated from an inertial measurement unit (IMU). We propose practical algorithms for IMU double integration and training of the localization system. We show decimeter-level accuracy on simulated and challenging real data of 5G measurements. Our IMU-supervised method performs similarly to fully-supervised, but requires much less effort to deploy.
Quantum option pricing via the Karhunen-Lo\`{e}ve expansion

We consider the problem of pricing discretely monitored Asian options over $T$ monitoring points where the underlying asset is modeled by a geometric Brownian motion. We provide two quantum algorithms with complexity poly-logarithmic in $T$ and polynomial in $1/\epsilon$, where $\epsilon$ is the additive approximation error. Our algorithms are obtained respectively by using an $O(\log T)$-qubit semi-digital quantum encoding of the Brownian motion that allows for exponentiation of the stochastic process and by analyzing classical Monte Carlo algorithms inspired by the semi-digital encodings. The best quantum algorithm obtained using this approach has complexity $\widetilde{O}(1/\epsilon^{3})$ where the $\widetilde{O}$ suppresses factors poly-logarithmic in $T$ and $1/\epsilon$. The methods proposed in this work generalize to pricing options where the underlying asset price is modeled by a smooth function of a sub-Gaussian process and the payoff is dependent on the weighted time-average of the underlying asset price.
One-for-many Counterfactual Explanations by Column Generation

In this paper, we consider the problem of generating a set of counterfactual explanations for a group of instances, with the one-for-many allocation rule, where one explanation is allocated to a subgroup of the instances. For the first time, we solve the problem of minimizing the number of explanations needed to explain all the instances, while considering sparsity by limiting the number of features allowed to be changed collectively in each explanation. A novel column generation framework is developed to efficiently search for the explanations. Our framework can be applied to any black-box classifier, like neural networks. Compared with a simple adaptation of a mixed-integer programming formulation from the literature, the column generation framework dominates in terms of scalability, computational performance and quality of the solutions.
Optimal Thresholding Linear Bandit

We study a novel pure exploration problem: the $\epsilon$-Thresholding Bandit Problem (TBP) with fixed confidence in stochastic linear bandits. We prove a lower bound for the sample complexity and extend an algorithm designed for Best Arm Identification in the linear case to TBP that is asymptotically optimal.
Application of the wavelet transform for analysis of precipitation and runoff time series

In order to help the hydrological regionalization, the analysis of precipitation and runoff data was done through the wavelet transform. This analysis seeks to help water administration personnel to take decisions on Predictions in Ungauged Basins, providing more details concerning the information about the precipitation and runoff patterns within a region. Data from rainfall and runoff stations in Piranhas-Acu River basin, located in semiarid northeastern Brazil, were used and the wavelet transforms were applied to these time series in order to determine zones within the region. In spite of the rainfall wavelet power spectra showed to be very similar, the global wavelet spectra of the main frequency components of the stream flow time series revealed different patterns. A total of 12 rainfall and runoff time series were assessed and their global wavelet spectra, together with the band scale-average time series, can be considered useful for determining the hydrological zones within a region.
A coupled VOF/embedded boundary method to model two-phase flows on arbitrary solid surfaces

We present an hybrid VOF/embedded boundary method allowing to model two-phase flows in presence of solids with arbitrary shapes. The method relies on the coupling of existing methods: a geometric Volume of fluid (VOF) method to tackle the two-phase flow and an embedded boundary method to sharply resolve arbitrary solid geometries. Coupling these approaches consistently is not trivial and we present in detail a quad/octree spatial discretization for solving the corresponding partial differential equations. Modelling contact angle dynamics is a complex physical and numerical problem. We present a Navier-slip boundary condition compatible with the present cut cell method, validated through a Taylor-Couette test case. To impose the boundary condition when the fluid-fluid interface intersects a solid surface, a geometrical contact angle approach is developed. Our method is validated for several test cases including the spreading of a droplet on a cylinder, and the equilibrium shape of a droplet on a flat or tilted plane in 2D and 3D. The temporal evolution and convergence of the droplet spreading on a flat plane is also discussed for the moving contact line given the boundary condition (Dirichlet or Navier) used. The ability of our numerical methodology to resolve contact line statics and dynamics for different solid geometries is thus demonstrated.