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Resistance to therapy remains a significant challenge in cancer treatment, often due to the presence of a stem-like cell population that drives tumor recurrence post-treatment. Moreover, many anticancer drugs inadvertently induce plasticity, reverting differentiated cancer cells to drug-resistant stem-like states. Addressing this phenomenon is crucial for advancing cancer therapeutics. In this study, we introduce a robust statistical framework based on multi-type branching processes that can dissect tumor dynamics and drug effects from high throughput drug screening data. Through comprehensive in silico experiments, we show the efficacy of our framework in estimating parameters governing population dynamics and drug responses in a heterogeneous tumor population where cell state transitions are influenced by the drug. Finally, using recent in vitro data involving AGS-SORE6+/- cells treated with ciclopirox olamine, we show how our framework can be used to confirm the presence of drug-induced cell plasticity.

In this paper, we introduce a new optimization algorithm that is well suited for solving parameter estimation problems. We call our new method cubic regularized Newton with affine scaling (CRNAS). In contrast to so-called first-order methods which rely solely on the gradient of the objective function, our method utilizes the Hessian of the objective. As a result it is able to focus on points satisfying the second-order optimality conditions, as opposed to first-order methods that simply converge to critical points. This is an important feature in parameter estimation problems where the objective function is often non-convex and as a result there can be many critical points making it is near impossible to identify the global minimum. An important feature of parameter estimation in mathematical models of biological systems is that the parameters are constrained by either physical constraints or prior knowledge. We use an affine scaling approach to handle a wide class of constraints. We establish that CRNAS identifies a point satisfying $\epsilon$-approximate second-order optimality conditions within $O(\epsilon^{-3/2})$ iterations. Finally, we compare CRNAS with MATLAB's optimization solver fmincon on three different test problems. These test problems all feature mixtures of heterogeneous populations, a problem setting that CRNAS is particularly well-suited for. Our numerical simulations show CRNAS has favorable performance, performing comparable if not better than fmincon in accuracy and computational cost for most of our examples.

Low Earth orbit (LEO) satellites have been envisioned as a significant component of the sixth generation (6G) network architecture for achieving ubiquitous coverage and seamless access. However, the implementation of LEO satellites is largely restricted by the deployment of ground stations. Inter-satellite links (ISLs) have been regarded as a promising technique to fully exploit the potentials of LEO mega constellations by concatenating multiple satellites to constitute an autonomous space network. In this article, we present the merits of implementing ISLs in LEO mega constellations and the representative applications empowered/inspired by ISLs. Moreover, we outline several key technical challenges as well as potential solutions related to LEO satellite networks with ISLs, including performance analysis for system design, routing and load balancing, and resource allocation. Particularly, the potential of using ISLs in enhancing in-flight connectivity is showcased with a preliminary performance evaluation. Finally, some open issues are discussed to inspire future research., Comment: 7 pages, 4 figures

Extremely large-scale array (XL-array) has emerged as one promising technology to improve the spectral efficiency and spatial resolution of future sixth generation (6G) wireless systems.The upsurge in the antenna number antennas renders communication users more likely to be located in the near-field region, which requires a more accurate spherical (instead of planar) wavefront propagation modeling.This inevitably incurs unaffordable beam training overhead when performing a two-dimensional (2D) beam-search in both the angular and range domains.To address this issue, we first introduce a new sparse discrete Fourier transform (DFT) codebook, which exhibits the angular periodicity in the received beam pattern at the user, which motivates us to propose a three-phase beam training scheme.Specifically, in the first phase, we utilize the sparse DFT codebook for beam sweeping in an angular subspace and estimate candidate user angles according to the received beam pattern.Then, a central sub-array is activated to scan specific candidate angles for resolving the issue of angular ambiguity and identity the user angle.In the third phase, the polar-domain codebook is applied in the estimated angle to search the best effective range of the user.Finally, numerical results show that the proposed beam training scheme enabled by sparse DFT codebook achieves 98.67% reduction as compared with the exhaustive-search scheme, yet without compromising rate performance in the high signal-to-ratio (SNR) regime., Comment: In this paper, we propose a novel sparse DFT codebook to reduce near-field beam training overhead, which is equivalent to sparsely activating the dense array

Space-air-ground integrated networks (SAGIN) are pivotal for achieving uninterrupted in-flight connectivity (IFC). Most existing studies, however, merely treat satellites as transparent forwarding nodes, and overlook their caching capabilities in enhancing the IFC data rate. In this paper, we consider an IFC-oriented SAGIN, where the satellites collaboratively deliver the content to airborne passengers to facilitate airborne communication. Considering the cached files instantaneously accessible via satellites, this work pioneers the integration of multiple inter-satellite links (ISLs) into the IFC framework, thereby innovating the content delivery process. To minimize the average delay of content delivery, we formulate an optimization problem and propose an exact penalty-based method to derive the satellite association scheme. Our proposed framework has a low complexity and thus paves the way for high-speed Internet connectivity to aviation passengers. Finally, simulation results are presented to demonstrate the effectiveness of our proposed IFC framework for SAGIN., Comment: 6 pages, 4 figures

Inner-approximate reachability analysis involves calculating subsets of reachable sets, known as inner-approximations. This analysis is crucial in the fields of dynamic systems analysis and control theory as it provides a reliable estimation of the set of states that a system can reach from given initial states at a specific time instant. In this paper, we study the inner-approximate reachability analysis problem based on the set-boundary reachability method for systems modelled by ordinary differential equations, in which the computed inner-approximations are represented with zonotopes. The set-boundary reachability method computes an inner-approximation by excluding states reached from the initial set's boundary. The effectiveness of this method is highly dependent on the efficient extraction of the exact boundary of the initial set. To address this, we propose methods leveraging boundary and tiling matrices that can efficiently extract and refine the exact boundary of the initial set represented by zonotopes. Additionally, we enhance the exclusion strategy by contracting the outer-approximations in a flexible way, which allows for the computation of less conservative inner-approximations. To evaluate the proposed method, we compare it with state-of-the-art methods against a series of benchmarks. The numerical results demonstrate that our method is not only efficient but also accurate in computing inner-approximations., Comment: the extended version of the paper accepted by CAV 2024

This paper investigates a multi-antenna cache-enabled network with interference nulling (IN) employed at base stations. Two IN schemes, namely, the fixed IN scheme and the flexible IN scheme are considered to improve the received signal-to-interference ratio (SIR) at users. To thoroughly explore the effects of the caching parameter and the IN parameters on the network performance, we focus on the analysis of not only the successful transmission probability (STP) but the SIR meta distribution. For each IN scheme, the expression for the STP is derived and an approximated expression for the SIR meta distribution is also obtained by deriving the first and second moments of an upper bound of the link reliability and utilizing the beta distribution. With this analytical framework, we compare the performance of these two IN schemes and gain some useful system design guidelines from the perspectives of the STP and the SIR meta distribution by numerical simulations.

This paper addresses the issue of predicting separated flows with Reynolds-averaged Navier-Stokes (RANS) turbulence models, which are essential for many engineering tasks. Traditional RANS models usually struggle with this task, so recent efforts have focused on data-driven methods such as field inversion and machine learning (FIML) to correct this issue by adjusting the baseline equations. However, these FIML methods often reduce accuracy in attached boundary layers. To address this issue, we developed a "conditioned field inversion" technique. This method adjusts the corrective factor \b{eta} (used by FIML) in the shear-stress transport (SST) model. It multiplies \b{eta} with a shield function f_d that is off in the boundary layer and on elsewhere. This maintains the accuracy of the baseline model for the attached flows. We applied both conditioned and classic field inversion to the NASA hump and a curved backward-facing step (CBFS), creating two datasets. These datasets were used to train two models: SR-CND (from our new method) and SR-CLS (from the traditional method). The SR-CND model matches the SR-CLS model in predicting separated flows in various scenarios, such as periodic hills, the NLR7301 airfoil, the 3D SAE car model, and the 3D Ahmed body, and significantly outperforms the baseline SST model. Importantly, the SR-CND model maintains accuracy in the attached boundary layers, whereas the SR-CLS model does not. Therefore, the proposed method improves separated flow predictions while maintaining the accuracy of the original model for attached flows, offering a better way to create data-driven turbulence models., Comment: 45 pages, 46 figures

In this paper, we investigate the problem of verifying the finite-time safety of continuous-time perturbed deterministic systems represented by ordinary differential equations in the presence of measurable disturbances. Given a finite time horizon, if the system is safe, it, starting from a compact initial set, will remain within an open and bounded safe region throughout the specified time horizon, regardless of the disturbances. The main contribution of this work is to uncover that there exists a time-dependent barrier certificate if and only if the system is safe. This barrier certificate satisfies the following conditions: negativity over the initial set at the initial time instant, non-negativity over the boundary of the safe set, and non-increasing behavior along the system dynamics over the specified finite time horizon. The existence problem is explored using a Hamilton-Jacobi differential equation, which has a unique Lipschitz viscosity solution.

Semantic communication has emerged as a promising technology to break the Shannon limit by extracting the meaning of source data and sending relevant semantic information only. However, some mobile devices may have limited computation and storage resources, which renders it difficult to deploy and implement the resource-demanding deep learning based semantic encoder/decoder. To tackle this challenge, we propose in this paper a new semantic relay (SemRelay), which is equipped with a semantic receiver for assisting text transmission from a resource-abundant base station (BS) to a resource-constrained mobile device. Specifically, the SemRelay first decodes the semantic information sent by the BS (with a semantic transmitter) and then forwards it to the user by adopting conventional bit transmission, hence effectively improving the text transmission efficiency. We formulate an optimization problem to maximize the achievable (effective) bit rate by jointly designing the SemRelay placement and bandwidth allocation. Although this problem is non-convex and generally difficult to solve, we propose an efficient penalty-based algorithm to obtain a high-quality suboptimal solution. Numerical results show the close-to-optimal performance of the proposed algorithm as well as significant rate performance gain of the proposed SemRelay over conventional decode-and-forward relay., Comment: 6 pages, 4 figures, accepted for IEEE Global Communication Conference (GLOBECOM) 2023 Workshop

Open-shell molecules rarely fluoresce, due to their typically faster non-radiative relaxation rates compared to closed-shell ones. Even rarer is the fluorescence from states that have two more unpaired electrons than the open-shell ground state, for example tripdoublet states (a triplet excitation antiferromagnetically coupled to a doublet state). The description of the latter states by U-TDDFT is notoriously inaccurate due to large spin contamination. In this work, we applied our spin-adapted TDDFT method, X-TDDFT, and the static-dynamic-static second order perturbation theory (SDSPT2), to the study of the excited states as well as their relaxation pathways of copper(II) porphyrin; previous experimental works suggested that the photoluminescence of some substituted copper(II) porphyrins originate from a tripdoublet state, formed by a triplet ligand $\pi\to\pi^*$ excitation. Our results demonstrated favorable agreement between the X-TDDFT, SDSPT2 and experimental excitation energies, and revealed noticeable improvements of X-TDDFT compared to U-TDDFT, suggesting that X-TDDFT is a reliable tool for the study of tripdoublet fluorescence. Intriguingly, the aforementioned tripdoublet state is the lowest doublet excited state and lies only slightly higher than the lowest quartet state, which explains why the tripdoublet of copper(II) porphyrin is long-lived enough to fluoresce; an explanation for this unusual state ordering is given. Indeed, thermal vibration correlation function (TVCF)-based calculations of internal conversion, intersystem crossing, and radiative transition rates confirm that copper(II) porphyrin emits thermally activated delayed fluorescence (TADF) and a small amount of phosphorescence at low temperature (83 K), in accordance with experiment. The present contribution is concluded by a few possible approaches of designing new molecules that fluoresce from tripdoublet states., Comment: 31 pages, 6 figures, 2 tables

Extremely large-scale arrays (XL-arrays) have emerged as a promising technology to achieve super-high spectral efficiency and spatial resolution in future wireless systems. The large aperture of XL-arrays means that spherical rather than planar wavefronts must be considered, and a paradigm shift from far-field to near-field communications is necessary. Unlike existing works that have mainly considered far-field beam management, we study the new near-field beam management for XL-arrays. We first provide an overview of near-field communications and introduce various applications of XL-arrays in both outdoor and indoor scenarios. Then, three typical near-field beam management methods for XL-arrays are discussed: near-field beam training, beam tracking, and beam scheduling. We point out their main design issues and propose promising solutions to address them. Moreover, other important directions in near-field communications are also highlighted to motivate future research., Comment: We studied the new near-field beam management for XL-arrays. This paper has been submitted to IEEE for possible publication

Turbulence modeling within the RANS equations' framework is essential in engineering due to its high efficiency. Field inversion and machine learning (FIML) techniques have improved RANS models' predictive capabilities for separated flows. However, FIML-generated models often lack interpretability, limiting physical understanding and manual improvements based on prior knowledge. Additionally, these models may struggle with generalization in flow fields distinct from the training set. This study addresses these issues by employing symbolic regression (SR) to derive an analytical relationship between the correction factor of the baseline turbulence model and local flow variables, enhancing the baseline model's ability to predict separated flow across diverse test cases. The shear-stress-transport (SST) model undergoes field inversion on a curved backward-facing step (CBFS) case to obtain the corrective factor field beta, and SR is used to derive a symbolic map between local flow features and beata. The SR-derived analytical function is integrated into the original SST model, resulting in the SST-SR model. The SST-SR model's generalization capabilities are demonstrated by its successful predictions of separated flow on various test cases, including 2D-bump cases with varying heights, periodic hill case where separation is dominated by geometric features, and the three-dimensional Ahmed-body case. In these tests, the model accurately predicts flow fields, showing its effectiveness in cases completely different from the training set. The Ahmed-body case, in particular, highlights the model's ability to predict the three-dimensional massively separated flows. When applied to a turbulent boundary layer with Re_L=1.0E7, the SST-SR model predicts wall friction coefficient and log layer comparably to the original SST model, maintaining the attached boundary layer prediction performance., Comment: 37 pages, 46 figures

Extremely large-scale array (XL-array) has emerged as a promising technology to improve the spectrum efficiency and spatial resolution of future wireless systems. However, the huge number of antennas renders the users more likely to locate in the near-field (instead of the far-field) region of the XL-array with spherical wavefront propagation. This inevitably incurs prohibitively high beam training overhead since it requires a two-dimensional (2D) beam search over both the angular and distance domains. To address this issue, we propose in this paper an efficient two-stage hierarchical beam training method for near-field communications. Specifically, in the first stage, we employ the central sub-array of the XL-array to search for a coarse user direction in the angular domain with conventional far-field hierarchical codebook. Then, in the second stage, given the coarse user direction, we progressively search for the fine-grained user direction-and-distance in the polar domain with a dedicatedly designed codebook. Numerical results show that our proposed two-stage hierarchical beam training method can achieve over 99% training overhead reduction as compared to the 2D exhaustive search, yet achieving comparable rate performance., Comment: We proposed a novel two-stage hierarchical beam training method for near-field communication systems. This paper has been submitted to IEEE for possible publication

Flow topology optimization (ToOpt) based on Darcy's source term is widely used in the field of ToOpt. It has a high degree of freedom and requires no initial configuration, making it suitable for conceptual aerodynamic design. Two problems of ToOpt are addressed in this paper to apply the ToOpt method to high-Reynolds-number turbulent flow. First, the relationship between the minimum magnitude of Darcy's source term needed to model the solid and the characteristic variables of the flow (freestream velocity, length scale and fluid viscosity) at high Reynolds numbers is quantitively studied. A strategy for setting Darcy's source term is then proposed. Second, the modified Launder - Sharma k-e (LSKE) model with modification terms related to Darcy's source is developed. The ToOpt of a low-drag profile in turbulent flow is studied using the new model. The model is validated to reflect the influence of solids on turbulence even at Reynolds numbers as high as one million. Finally, a wall-distance computation method that can recognize the solid modeled by Darcy's source term is developed and integrated into the modified shear stress transport (SST) turbulence model. The ToOpt of a rotor-like geometry, which is of great importance in aerodynamic design, is conducted using the modified SST model, proving the model's ability to handle the ToOpt of turbomachinery.

Simultaneously transmitting and reflecting reconfigurable intelligent surfaces (STAR-RISs) have emerged as a promising technology for achieving full-space coverage. Prior works on STAR-RISs mostly assumed the full and instantaneous channel state information (CSI) is available, which, however, is practically difficult to obtain due to the large number of elements. To address it, we investigate STAR-RIS aided NOMA systems, where two efficient two-timescale transmission protocols are proposed for different channel setups to maximize the average sum-rate. Specifically, 1) for line-of-sight (LoS) dominant channels, we propose the beamforming-then-estimate (BTE) Protocol, where the long-term STAR-RIS coefficients are optimized based on the statistical CSI, while the short-term power allocation at the base station (BS) is designed based on the effective channels; 2) for the rich scattering environment, we propose an alternative partition-then-estimate (PTE) Protocol, where the BS determines the long-term STAR-RIS surface-partition strategy; then the BS estimates the instantaneous subsurface channels and designs its power allocation and STAR-RIS phase-shifts accordingly. Simulation results validate the superiority of our proposed transmission protocols as compared to various benchmarks. It is shown that the BTE Protocol outperforms the PTE Protocol when the number of STAR-RIS elements is large and/or the LoS channel components are dominant, and vice versa., Comment: 30 pages, 10 figures

In this letter, we study efficient uplink channel estimation design for a simultaneously transmitting and reflecting reconfigurable intelligent surface (STAR-RIS) assisted two-user communication systems. We first consider the time switching (TS) protocol for STAR-RIS and propose an efficient scheme to separately estimate the channels of the two users with optimized training (transmission/reflection) pattern. Next, we consider the energy splitting (ES) protocol for STAR-RIS under the practical coupled phase-shift model and devise a customized scheme to simultaneously estimate the channels of both users. Although the problem of minimizing the resultant channel estimation error for the ES protocol is difficult to solve, we propose an efficient algorithm to obtain a high-quality solution by jointly designing the pilot sequences, power-splitting ratio, and training patterns. Numerical results show the effectiveness of the proposed channel estimation designs and reveal that the STAR-RIS under the TS protocol achieves a smaller channel estimation error than the ES case.

Simultaneously transmitting and reflecting reconfigurable intelligent surface (STAR-RIS) is a promising technology to achieve full-space coverage. This paper investigates the resource allocation problem in a STAR-RIS-assisted multi-carrier communication network. To maximize the system sum-rate, a joint optimization problem for orthogonal multiple access (OMA) is first formulated, which is a mixed-integer non-linear programming problem. To solve this challenging problem, we first propose a channel assignment scheme utilizing matching theory and then invoke the alternating optimization-based method to optimize the resource allocation policy and beamforming vectors iteratively. Furthermore, the sum-rate maximization problem for non-orthogonal multiple access (NOMA) is investigated. To efficiently solve it, we first propose a location-based matching algorithm to determine the sub-channel assignment, where a transmitted user and a reflected user are grouped on a sub-channel. Then, a three-step approach is proposed, where the decoding orders, beamforming-coefficient vectors, and power allocation are optimized by employing semidefinite programming, convex upper bound approximation, and geometry programming, respectively. Numerical results unveil that: 1) For OMA, a general design that includes same-side user-pairing for channel assignment is preferable, while for NOMA, the proposed transmission-and-reflection scheme can achieve near-optimal performance. 2) The STAR-RIS-aided NOMA network significantly outperforms the networks employing conventional RISs and OMA., Comment: 30 pages,9 figures

First-order nonadiabatic coupling matrix elements (fo-NACMEs) are the basic quantities in theoretical descriptions of electronically nonadiabatic processes that are ubiquitous in molecular physics and chemistry. Given the large size of systems of chemical interests, time-dependent density functional theory (TDDFT) is usually the first choice. However, the lack of wave functions in TDDFT renders the formulation of NAC-TDDFT for fo-NACMEs conceptually difficult. The present account aims to analyze the available variants of NAC-TDDFT in a critical but concise manner and meanwhile point out the proper ways for implementation. It can be concluded, from both theoretical and numerical points of view, that the equation of motion-based variant of NAC-TDDFT is the right choice. Possible future developments of this variant are also highlighted., Comment: 28 pages, 1 figure, 2 tables

The novel concept of simultaneously transmitting and reflecting reconfigurable intelligent surface (STAR-RIS) is investigated, where incident signals can be transmitted and reflected to users located at different sides of the surface. In particular, the fundamental coverage range of STAR-RIS aided two-user communication networks is studied. A sum coverage range maximization problem is formulated for both non-orthogonal multiple access (NOMA) and orthogonal multiple access (OMA), where the resource allocation at the access point and the transmission and reflection coefficients at the STAR-RIS are jointly optimized to satisfy the communication requirements of users. For NOMA, we transform the non-convex decoding order constraint into a linear constraint and the resulting problem is convex, which can be optimally solved. For OMA, we first show that the optimization problem for given time/frequency resource allocation is convex. Then, we employ the one dimensional search-based algorithm to obtain the optimal solution. Numerical results reveal that the coverage can be significantly extended by the STAR-RIS compared with conventional RISs.

The coordinate descent (CD) method has recently become popular for solving very large-scale problems, partly due to its simple update, low memory requirement, and fast convergence. In this paper, we explore the greedy CD on solving non-negative quadratic programming (NQP). The greedy CD generally has much more expensive per-update complexity than its cyclic and randomized counterparts. However, on the NQP, these three CDs have almost the same per-update cost, while the greedy CD can have significantly faster overall convergence speed. We also apply the proposed greedy CD as a subroutine to solve linearly constrained NQP and the non-negative matrix factorization. Promising numerical results on both problems are observed on instances with synthetic data and also image data.