Daily Papers

We study the behavior of an algorithm derived from the cavity method for the Prize-Collecting Steiner Tree (PCST) problem on graphs. The algorithm is based on the zero temperature limit of the cavity equations and as such is formally simple (a fixed point equation resolved by iteration) and distributed (parallelizable). We provide a detailed comparison with state-of-the-art algorithms on a wide range of existing benchmarks networks and random graphs. Specifically, we consider an enhanced derivative of the Goemans-Williamson heuristics and the DHEA solver, a Branch and Cut Linear/Integer Programming based approach. The comparison shows that the cavity algorithm outperforms the two algorithms in most large instances both in running time and quality of the solution. Finally we prove a few optimality properties of the solutions provided by our algorithm, including optimality under the two post-processing procedures defined in the Goemans-Williamson derivative and global optimality in some limit cases.

Large nonlinear recurrent neural networks with random couplings generate high-dimensional, potentially chaotic activity whose structure is of interest in neuroscience and other fields. A fundamental object encoding the collective structure of this activity is the N times N covariance matrix. Prior analytical work on the covariance matrix has been limited to low-dimensional summary statistics. Recent work proposed an ansatz in which, at large N, the covariance matrix for a typical quenched realization takes the same form as that of a linear network with the same couplings, driven by independent noise, with DMFT order parameters setting the transfer function and the noise spectrum. Here, we derive this ansatz using the two-site cavity method, providing two derivations with complementary perspectives. The first decomposes each unit's activity into a linear response to its local field and a nonlinear residual, and shows that cross-covariances between residuals at distinct sites are strongly suppressed, so the residuals act as independent noise driving a linear network. The second derives a self-consistent matrix equation for the covariance matrix. A naive Gaussian closure for the joint statistics of local fields at distinct sites misses cross terms that, in a linear network, would be generated by an external drive. The cavity method recovers these terms from non-Gaussian contributions, revealing an emergent external drive. Higher-order cross-site moments follow a Wick-like decomposition into products of pairwise covariances at leading order, reducing them to the linear-equivalent form. We verify the predictions in simulations. These results extend linear equivalence from feedforward high-dimensional nonlinear systems, where the activations are independent of the weights, to recurrent networks, where the activations are correlated with the couplings that generate them.

Ecological interactions are often mediated by feedbacks between organisms and their resource environments. Yet, how resource supply dynamics dictate collective dynamical phases of an ecosystem remains unclear. Here, we analyse a generalised consumer--resource model with non-reciprocal interactions to demonstrate that self-renewing versus externally-supplied resources yield fundamentally different dynamical phase diagrams. As interactions become increasingly non-reciprocal, ecosystems relying on self-renewing resources transition from stable dynamics to chaos and ultimately to infeasibility. By contrast, ecosystems with externally-supplied resources remain stable over a broader parameter range and transition to infeasibility without experiencing an intervening chaotic phase. Using the cavity method, we derive a unified stability condition applicable to a broad class of resource supply functions, explaining why externally-supplied resources can expand the stable region. We show that stability hinges crucially on the susceptibility of resources to perturbations, which depends strongly on their supply. Further, we show that external resource supply suppresses chaos in the unstable region by drastically reducing the susceptibility of resources closest to extinction. Our findings demonstrate that resource dynamics fundamentally reshape the accessible dynamical behaviours of an ecosystem, with implications for interpreting microbial community experiments.

The K-core of a graph is the unique maximum subgraph within which each vertex connects to K or more other vertices. The optimal K-core attack problem asks to delete the minimum number of vertices from the K-core to induce its complete collapse. A hierarchical cycle-tree packing model is introduced here for this challenging combinatorial optimization problem. We convert the temporally long-range correlated K-core pruning dynamics into locally tree-like static patterns and analyze this model through the replica-symmetric cavity method of statistical physics. A set of coarse-grained belief propagation equations are derived to predict single vertex marginal probabilities efficiently. The associated hierarchical cycle-tree guided attack ({\tt hCTGA}) algorithm is able to construct nearly optimal attack solutions for regular random graphs and Erd\"os-R\'enyi random graphs. Our cycle-tree packing model may also be helpful for constructing optimal initial conditions for other irreversible dynamical processes on sparse random graphs.

In this paper we study the out-of-equilibrium phase diagram of the quantum version of Derrida's Random Energy Model, which is the simplest model of mean-field spin glasses. We interpret its corresponding quantum dynamics in Fock space as a one-particle problem in very high dimension to which we apply different theoretical methods tailored for high-dimensional lattices: the Forward-Scattering Approximation, a mapping to the Rosenzweig-Porter model, and the cavity method. Our results indicate the existence of two transition lines and three distinct dynamical phases: a completely many-body localized phase at low energy, a fully ergodic phase at high energy, and a multifractal "bad metal" phase at intermediate energy. In the latter, eigenfunctions occupy a diverging volume, yet an exponentially vanishing fraction of the total Hilbert space. We discuss the limitations of our approximations and the relationship with previous studies.

Multigap cavities are used extensively in linear accelerators to achieve velocities up to a few percent of the speed of light, driving nuclear physics research around the world. Unlike for single-gap structures, there is no closed-form expression to calculate the output beam parameters from the cavity voltage and phase. To overcome this, we propose to use a method based on the integration of the first and second moments of the beam distribution through the axially symmetric time-dependent fields of the cavity. A beam-based calibration between the model's electric field scaling and the machine's rf amplitudes is presented, yielding a fast online energy change method, returning cavity amplitude and phase necessary for a desired output beam energy and energy spread. The method is validated with 23Na6+ beam energy measurements.

Using the supersymmetric method of random matrix theory within the Heidelberg approach framework we provide statistical description of stationary intensity sampled in locations inside an open wave-chaotic cavity, assuming that the time-reversal invariance inside the cavity is fully broken. In particular, we show that when incoming waves are fed via a finite number M of open channels the probability density {cal P}(I) for the single-point intensity I decays as a power law for large intensities: {cal P}(I)sim I^{-(M+2)}, provided there is no internal losses. This behaviour is in marked difference with the Rayleigh law {cal P}(I)sim exp(-I/I) which turns out to be valid only in the limit Mto infty. We also find the joint probability density of intensities I_1, ldots, I_L in L>1 observation points, and then extract the corresponding statistics for the maximal intensity in the observation pattern. For Lto infty the resulting limiting extreme value statistics (EVS) turns out to be different from the classical EVS distributions.

Cavity quantum electrodynamics has been studied as a potential approach to modify free charge carrier generation in donor-acceptor heterojunctions because of the delocalization and controllable energy level properties of hybridized light-matter states known as polaritons. However, in many experimental systems, cavity coupling decreases charge separation. Here, we theoretically study the quantum dynamics of a coherent and dissipative donor-acceptor cavity system, to investigate the dynamical mechanism and further discover the conditions under which polaritons may enhance free charge carrier generation. We use open quantum system methods based on single-pulse pumping to find that polaritons have the potential to connect excitonic states and charge separated states, further enhancing free charge generation on an ultrafast timescale of several hundred femtoseconds. The mechanism involves that polaritons with proper energy levels allow the exciton to overcome the high Coulomb barrier induced by electron-hole attraction. Moreover, we propose that a second-hybridization between a polariton state and dark states with similar energy enables the formation of the hybrid charge separated states that are optically active. These two mechanisms lead to a maximum of 50% enhancement of free charge carrier generation on a short timescale. However, our simulation reveals that on the longer timescale of picoseconds, internal conversion and cavity loss dominate and suppress free charge carrier generation, reproducing the experimental results. Thus, our work shows that polaritons can affect the charge separation mechanism and promote free charge carrier generation efficiency, but predominantly on a short timescale after photoexcitation.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

The study of jet-inflated X-ray cavities provides a powerful insight into the energetics of hot galactic atmospheres and radio-mechanical AGN feedback. By estimating the volumes of X-ray cavities, the total energy and thus also the corresponding mechanical jet power required for their inflation can be derived. Properly estimating their total extent is, however, non-trivial, prone to biases, nearly impossible for poor-quality data, and so far has been done manually by scientists. We present a novel and automated machine-learning pipeline called Cavity Detection Tool (CADET), developed to detect and estimate the sizes of X-ray cavities from raw Chandra images. The pipeline consists of a convolutional neural network trained for producing pixel-wise cavity predictions and a DBSCAN clustering algorithm, which decomposes the predictions into individual cavities. The convolutional network was trained using mock observations of early-type galaxies simulated to resemble real noisy Chandra-like images. The network's performance has been tested on simulated data obtaining an average cavity volume error of 14 % at an 89 % true-positive rate. For simulated images without any X-ray cavities inserted, we obtain a 5 % false-positive rate. When applied to real Chandra images, the pipeline recovered 91 out of 100 previously known X-ray cavities in nearby early-type galaxies and all 14 cavities in chosen galaxy clusters. Besides that, the CADET pipeline discovered 8 new cavity pairs in atmospheres of early-type galaxies and galaxy clusters (IC4765, NGC533, NGC2300, NGC3091, NGC4073, NGC4125, NGC4472, NGC5129) and a number of potential cavity candidates.

In detuned optical cavities, the radiation pressure force acting on the mirrors depends on their displacements. This is equivalent to the rigidity (the optical spring), inserted between the mirrors. This effect can be used for optimization of the mechanical susceptibility of probe mirrors in high-precision force sensors. However, in some cases, the use of detuned cavities or even just any high-finesse cavities could be problematic due to technological constraints. We consider a new type of the optical spring that does not require the cavity (but can use a resonance tuned one to increase the optomechanical coupling). Instead, it uses the double interaction of the probing light with the mechanical object. We propose two possible implementation of this concept, suitable, respectively, for the atomic spin ensembles and for the laser gravitational-wave detectors.

A cylindrical TM_{0,1,0} mode microwave cavity resonator was excited using a balanced interferometric configuration that allowed manipulation of the electric field and potential within the resonator by adjusting the phase and amplitude of the interferometer arms driving the resonator. With precise tuning of the phase and amplitude, 25 dB suppression of the electric field at the resonance frequency was achieved while simultaneously resonantly enhancing the time-varying electric-scalar potential. Under these conditions, the system demonstrated electromagnetically induced absorption in the cavity response due to the annulment of the electric field at the resonance frequency. This phenomena can be regarded as a form of extreme dispersion, and led to a sharp increase in the cavity phase versus frequency response by an order of magnitude when compared to the cavity Q-factor. This work presents an experimental setup that will allow the electric-scalar Aharonov-Bohm effect to be tested under conditions involving a time-varying electric-scalar potential, without the presence of an electric field or magnetic vector potential, an experiment that has not yet been realised.

We present ToothCraft, a diffusion-based model for the contextual generation of tooth crowns, trained on artificially created incomplete teeth. Building upon recent advancements in conditioned diffusion models for 3D shapes, we developed a model capable of an automated tooth crown completion conditioned on local anatomical context. To address the lack of training data for this task, we designed an augmentation pipeline that generates incomplete tooth geometries from a publicly available dataset of complete dental arches (3DS, ODD). By synthesising a diverse set of training examples, our approach enables robust learning across a wide spectrum of tooth defects. Experimental results demonstrate the strong capability of our model to reconstruct complete tooth crowns, achieving an intersection over union (IoU) of 81.8% and a Chamfer Distance (CD) of 0.00034 on synthetically damaged testing restorations. Our experiments demonstrate that the model can be applied directly to real-world cases, effectively filling in incomplete teeth, while generated crowns show minimal intersection with the opposing dentition, thus reducing the risk of occlusal interference. Access to the code, model weights, and dataset information will be available at: https://github.com/ikarus1211/VISAPP_ToothCraft

Recent advances in 3D X-ray Computed Tomographic (CT) sensors have stimulated research efforts to unveil the extremely complex micro-scale processes that control the activity of soil microorganisms. Voxel-based description (up to hundreds millions voxels) of the pore space can be extracted, from grey level 3D CT scanner images, by means of simple image processing tools. Classical methods for numerical simulation of biological dynamics using mesh of voxels, such as Lattice Boltzmann Model (LBM), are too much time consuming. Thus, the use of more compact and reliable geometrical representations of pore space can drastically decrease the computational cost of the simulations. Several recent works propose basic analytic volume primitives (e.g. spheres, generalized cylinders, ellipsoids) to define a piece-wise approximation of pore space for numerical simulation of draining, diffusion and microbial decomposition. Such approaches work well but the drawback is that it generates approximation errors. In the present work, we study another alternative where pore space is described by means of geometrically relevant connected subsets of voxels (regions) computed from the curvilinear skeleton. Indeed, many works use the curvilinear skeleton (3D medial axis) for analyzing and partitioning 3D shapes within various domains (medicine, material sciences, petroleum engineering, etc.) but only a few ones in soil sciences. Within the context of soil sciences, most studies dealing with 3D medial axis focus on the determination of pore throats. Here, we segment pore space using curvilinear skeleton in order to achieve numerical simulation of microbial decomposition (including diffusion processes). We validate simulation outputs by comparison with other methods using different pore space geometrical representations (balls, voxels).

Dental caries is one of the most common oral diseases that, if left untreated, can lead to a variety of oral problems. It mainly occurs inside the pits and fissures on the occlusal/buccal/palatal surfaces of molars and children are a high-risk group for pit and fissure caries in permanent molars. Pit and fissure sealing is one of the most effective methods that is widely used in prevention of pit and fissure caries. However, current detection of pits and fissures or caries depends primarily on the experienced dentists, which ordinary parents do not have, and children may miss the remedial treatment without timely detection. To address this issue, we present a method to autodetect caries and pit and fissure sealing requirements using oral photos taken by smartphones. We use the YOLOv5 and YOLOX models and adopt a tiling strategy to reduce information loss during image pre-processing. The best result for YOLOXs model with tiling strategy is 72.3 mAP.5, while the best result without tiling strategy is 71.2. YOLOv5s6 model with/without tiling attains 70.9/67.9 mAP.5, respectively. We deploy the pre-trained network to mobile devices as a WeChat applet, allowing in-home detection by parents or children guardian.

The Princeton Axion Search (PXS) targets the mass window 0.8--2.1~μeV (corresponding to frequencies 200--500~MHz) at DFSZ sensitivity. The experiment, a haloscope, will use a cylindrical copper-plated aluminum cavity of 700~mm diameter and 1022~mm height, immersed in a 5~T solenoidal magnetic field. A 152~mm diameter tuning rod spanning the height of the cavity rotates to tune the primary mode resonance from 390--480~MHz, the frequency range for initial operations. We deduce the electric and magnetic field mode patterns using a combination of dielectric and metallic bead perturbations on the empty cavity. The measured mode frequencies and the TM_{010} field profile, as a function of tuning rod position, are in excellent agreement with simulations. We describe the effect of fabrication and assembly imperfections, including the bowing of end plates and tilt of the tuning rod. The welded seams and end-cap joints are demonstrated to not significantly degrade Q. We combine measurement and simulation to assess an uncertainty on form factor across the full tuning range. Our results validate PXS's cavity architecture and inform future searches for sub-μeV axions, in which large-volume high-Q structures are required to reach QCD sensitivity.

Maxwell's equations, a system of linear partial differential equations (PDEs), describe the behavior of electric and magnetic fields in time and space and are essential for many important electromagnetic applications. Although numerical methods have been applied successfully in the past, the primary challenge in solving these equations arises from the frequency of electromagnetic fields, which depends on the shape and size of the objects to be resolved. Since the domain of influence for these equations is compactly supported, even a small perturbation in frequency necessitates a new discretization of Maxwell's equations, resulting in substantial computational costs. In this work, we investigate the potential of neural operators, particularly the Deep Operator Network (DeepONet) and its variants, as a surrogate model for Maxwell's equations. Existing DeepONet implementations are restricted to real-valued data in R^n, but since the time-harmonic Maxwell's equations yield solutions in the complex domain C^n, a specialized architecture is required to handle complex algebra. We propose a formulation of DeepONet for complex data, define the forward pass in the complex domain, and adopt a reparametrized version of DeepONet for more efficient training. We also propose a unified framework to combine a plurality of DeepONets, trained for multiple electromagnetic field components, to incorporate the boundary condition. We conduct computational experiments on a 3D metallic sphere without singularities and on a metallic almond-shaped target to demonstrate the effectiveness of the proposed method for problems involving singularity-prone solutions. As shown by computational experiments, our method significantly enhances the efficiency of predicting scattered fields from a spherical object at arbitrary high frequencies.

Strong collective interaction of atoms with an optical cavity causes normal mode splitting of the cavity's resonances, whose width is given by the collective coupling strength. At low optical density of the atomic cloud the intensity distribution of light in the cavity is ruled by the cavity's mode function, which is solely determined by its geometry. In this regime the dynamics of the coupled atom-cavity system is conveniently described by the open Dicke model, which we apply to calculating normal mode splitting generated by periodically ordered clouds in linear and ring cavities. We also show how to use normal mode splitting as witness for Wannier-Bloch oscillations in the tight-binding limit. At high optical density the atomic distribution contributes to shaping the mode function. This regime escapes the open Dicke model, but can be treated by a transfer matrix model provided the saturation parameter is low. Applying this latter model to an atomic cloud periodically ordered into a one-dimensional lattice, we observe the formation of photonic bands gaps competing with the normal mode splitting. We discuss the limitations of both models and point out possible pathways to generalized theories.

We present microlux, which is a Jax-based code that can compute the binary microlensing light curve and its derivatives both efficiently and accurately. The key feature of microlux is the implementation of a modified version of the adaptive sampling algorithm that was originally proposed by V. Bozza to account for the finite-source effect most efficiently. The efficiency and accuracy of microlux have been verified across the relevant parameter space for binary microlensing. As a differentiable code, microlux makes it possible to apply gradient-based algorithms to the search and posterior estimation of the microlensing modeling. As an example, we use microlux to model a real microlensing event and infer the model posterior via both Fisher information matrix and Hamiltonian Monte Carlo, neither of which would have been possible without the access to accurate model gradients.

In this article, we develop an asymptotic method for constructing confidence regions for the set of all linear subspaces arising from PCA, from which we derive hypothesis tests on this set. Our method is based on the geometry of Riemannian manifolds with which some sets of linear subspaces are endowed.

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

Cavity optomechanical systems in the quantum regime consist of a cavity mode and mechanical element coupled together through radiation pressure. In the nonlinear optomechanical regime, open-system dynamics is generally challenging to treat analytically, since the noise terms do not commute with the optomechanical interaction term. Specifically, a general treatment of both Markovian and non-Markovian mechanical noise in the nonlinear optomechanical regime is still outstanding. Here we address this question by solving the full dynamics of an optomechanical system in the nonlinear regime where the mechanical element interacts with a bath of harmonic oscillators, representing full quantum Brownian motion. The solutions, which are exact and analytic, allow us to consider the strength of the optomechanical nonlinearity in the presence of both Markovian (Ohmic) and non-Markovian (sub-Ohmic and super-Ohmic) baths. We show that that while the strength of the nonlinearity is generally reduced by a Markovian bath spectrum, it can be enhanced by constructing a bath with a highly non-Markovian structure. The results have potential implications for future optomechanical experiments which seek to achieve a strong optomechanical nonlinearity.

Krylov subspace, which is generated by multiplying a given vector by the matrix of a linear transformation and its successive powers, has been extensively studied in classical optimization literature to design algorithms that converge quickly for large linear inverse problems. For example, the conjugate gradient method (CG), one of the most popular Krylov subspace methods, is based on the idea of minimizing the residual error in the Krylov subspace. However, with the recent advancement of high-performance diffusion solvers for inverse problems, it is not clear how classical wisdom can be synergistically combined with modern diffusion models. In this study, we propose a novel and efficient diffusion sampling strategy that synergistically combines the diffusion sampling and Krylov subspace methods. Specifically, we prove that if the tangent space at a denoised sample by Tweedie's formula forms a Krylov subspace, then the CG initialized with the denoised data ensures the data consistency update to remain in the tangent space. This negates the need to compute the manifold-constrained gradient (MCG), leading to a more efficient diffusion sampling method. Our method is applicable regardless of the parametrization and setting (i.e., VE, VP). Notably, we achieve state-of-the-art reconstruction quality on challenging real-world medical inverse imaging problems, including multi-coil MRI reconstruction and 3D CT reconstruction. Moreover, our proposed method achieves more than 80 times faster inference time than the previous state-of-the-art method. Code is available at https://github.com/HJ-harry/DDS

The collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.

We discuss methods for modeling eclipsing binary stars using the "physical", "simplified" and "phenomenological" models. There are few realizations of the "physical" Wilson-Devinney (1971) code and its improvements, e.g. Binary Maker, Phoebe. A parameter search using the Monte-Carlo method was realized by Zola et al. (2010), which is efficient in expense of too many evaluations of the test function. We compare existing algorithms of minimization of multi-parametric functions and propose to use a "combined" algorithm, depending on if the Hessian matrix is positively determined. To study methods, a simply fast-computed function resembling the "complete" test function for the physical model. Also we adopt a simplified model of an eclipsing binary at a circular orbit assuming spherical components with an uniform brightness distribution. This model resembles more advanced models in a sense of correlated parameter estimates due to a similar topology of the test function. Such a model may be applied to detached Algol-type systems, where the tidal distortion of components is negligible.

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

We propose an approach for generating crochet instructions (patterns) from an input 3D model. We focus on Amigurumi, which are knitted stuffed toys. Given a closed triangle mesh, and a single point specified by the user, we generate crochet instructions, which when knitted and stuffed result in a toy similar to the input geometry. Our approach relies on constructing the geometry and connectivity of a Crochet Graph, which is then translated into a crochet pattern. We segment the shape automatically into chrochetable components, which are connected using the join-as-you-go method, requiring no additional sewing. We demonstrate that our method is applicable to a large variety of shapes and geometries, and yields easily crochetable patterns.

The reduced basis method is a model reduction technique yielding substantial savings of computational time when a solution to a parametrized equation has to be computed for many values of the parameter. Certification of the approximation is possible by means of an a posteriori error bound. Under appropriate assumptions, this error bound is computed with an algorithm of complexity independent of the size of the full problem. In practice, the evaluation of the error bound can become very sensitive to round-off errors. We propose herein an explanation of this fact. A first remedy has been proposed in [F. Casenave, Accurate a posteriori error evaluation in the reduced basis method. C. R. Math. Acad. Sci. Paris 350 (2012) 539--542.]. Herein, we improve this remedy by proposing a new approximation of the error bound using the Empirical Interpolation Method (EIM). This method achieves higher levels of accuracy and requires potentially less precomputations than the usual formula. A version of the EIM stabilized with respect to round-off errors is also derived. The method is illustrated on a simple one-dimensional diffusion problem and a three-dimensional acoustic scattering problem solved by a boundary element method.

We study the problem of extracting a quantum complexity resource from a mixed Gaussian state of the multimode light. We present the first complete, certificate-checked solution to this problem in a genuinely coupled sector. We carry this out for the two-mode case, the smallest case in which modes are genuinely coupled. Even in this case the solution is highly nontrivial, and we rigorously prove that it cannot be given in a closed form.

Teeth localization, segmentation, and labeling from intra-oral 3D scans are essential tasks in modern dentistry to enhance dental diagnostics, treatment planning, and population-based studies on oral health. However, developing automated algorithms for teeth analysis presents significant challenges due to variations in dental anatomy, imaging protocols, and limited availability of publicly accessible data. To address these challenges, the 3DTeethSeg'22 challenge was organized in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI) in 2022, with a call for algorithms tackling teeth localization, segmentation, and labeling from intraoral 3D scans. A dataset comprising a total of 1800 scans from 900 patients was prepared, and each tooth was individually annotated by a human-machine hybrid algorithm. A total of 6 algorithms were evaluated on this dataset. In this study, we present the evaluation results of the 3DTeethSeg'22 challenge. The 3DTeethSeg'22 challenge code can be accessed at: https://github.com/abenhamadou/3DTeethSeg22_challenge

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

Hallucination is a common problem for Large Vision-Language Models (LVLMs) with long generations which is difficult to eradicate. The generation with hallucinations is partially inconsistent with the image content. To mitigate hallucination, current studies either focus on the process of model inference or the results of model generation, but the solutions they design sometimes do not deal appropriately with various types of queries and the hallucinations of the generations about these queries. To accurately deal with various hallucinations, we present a unified framework, Dentist, for hallucination mitigation. The core step is to first classify the queries, then perform different processes of hallucination mitigation based on the classification result, just like a dentist first observes the teeth and then makes a plan. In a simple deployment, Dentist can classify queries as perception or reasoning and easily mitigate potential hallucinations in answers which has been demonstrated in our experiments. On MMbench, we achieve a 13.44%/10.2%/15.8% improvement in accuracy on Image Quality, a Coarse Perception visual question answering (VQA) task, over the baseline InstructBLIP/LLaVA/VisualGLM.

Boolean query construction is often critical for medical systematic review literature search. To create an effective Boolean query, systematic review researchers typically spend weeks coming up with effective query terms and combinations. One challenge to creating an effective systematic review Boolean query is the selection of effective MeSH Terms to include in the query. In our previous work, we created neural MeSH term suggestion methods and compared them to state-of-the-art MeSH term suggestion methods. We found neural MeSH term suggestion methods to be highly effective. In this demonstration, we build upon our previous work by creating (1) a Web-based MeSH term suggestion prototype system that allows users to obtain suggestions from a number of underlying methods and (2) a Python library that implements ours and others' MeSH term suggestion methods and that is aimed at researchers who want to further investigate, create or deploy such type of methods. We describe the architecture of the web-based system and how to use it for the MeSH term suggestion task. For the Python library, we describe how the library can be used for advancing further research and experimentation, and we validate the results of the methods contained in the library on standard datasets. Our web-based prototype system is available at http://ielab-mesh-suggest.uqcloud.net, while our Python library is at https://github.com/ielab/meshsuggestlib.

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

A new approach to solving random matrix models directly in the large N limit is developed. First, a set of numerical values for some low-pt correlation functions is guessed. The large N loop equations are then used to generate values of higher-pt correlation functions based on this guess. Then one tests whether these higher-pt functions are consistent with positivity requirements, e.g., langle tr M^{2k} rangle ge 0. If not, the guessed values are systematically ruled out. In this way, one can constrain the correlation functions of random matrices to a tiny subregion which contains (and perhaps converges to) the true solution. This approach is tested on single and multi-matrix models and handily reproduces known solutions. It also produces strong results for multi-matrix models which are not believed to be solvable. A tantalizing possibility is that this method could be used to search for new critical points, or string worldsheet theories.

Full quantum tomography of high-dimensional quantum systems is experimentally infeasible due to the exponential scaling of the number of required measurements on the number of qubits in the system. However, several ideas were proposed recently for predicting the limited number of features for these states, or estimating the expectation values of operators, without the need for full state reconstruction. These ideas go under the general name of shadow tomography. Here we provide an experimental demonstration of property estimation based on classical shadows proposed in [H.-Y. Huang, R. Kueng, J. Preskill. Nat. Phys. https://doi.org/10.1038/s41567-020-0932-7 (2020)] and study its performance in the quantum optical experiment with high-dimensional spatial states of photons. We show on experimental data how this procedure outperforms conventional state reconstruction in fidelity estimation from a limited number of measurements.

The inspiral, merger, and ringdown of Massive Black Hole Binaries (MBHBs) is one the main sources of Gravitational Waves (GWs) for the future Laser Interferometer Space Antenna (LISA), an ESA-led mission in the implementation phase. It is expected that LISA will detect these systems throughout the entire observable universe. Robust and efficient data analysis algorithms are necessary to detect and estimate physical parameters for these systems. In this work, we explore the application of Sequential Neural Likelihood, a simulation-based inference algorithm, to detect and characterize MBHB GW signals in synthetic LISA data. We describe in detail the different elements of the method, their performance and possible alternatives that can be used to enhance the performance. Instead of sampling from the conventional likelihood function, which requires a forward simulation for each evaluation, this method constructs a surrogate likelihood that is ultimately described by a neural network trained from a dataset of simulations of the MBHB signals and noise. One important advantage of this method is that, given that the likelihood is independent of the priors, we can iteratively train models that target specific observations in a fraction of the time and computational cost that other traditional and machine learning-based strategies would require. Because of the iterative nature of the method, we are able to train models to obtain qualitatively similar posteriors with less than 2\% of the simulator calls that Markov Chain Monte Carlo methods would require. We compare these posteriors with those obtained from Markov Chain Monte Carlo techniques and discuss the differences that appear, in particular in relation with the important role that data compression has in the modular implementation of the method that we present. We also discuss different strategies to improve the performance of the algorithms.

We consider in this work quantities that can be obtained as limits of powers of parametrized matrices, for instance the inverse matrix or the logarithm of the determinant. Under the assumption of affine dependence in the parameters, we use the Empirical Interpolation Method (EIM) to derive an approximation for powers of these matrices, from which we derive a nonintrusive approximation for the aforementioned limits. We derive upper bounds of the error made by the obtained formula. Finally, numerical comparisons with classical intrusive and nonintrusive approximation techniques are provided: in the considered test-cases, our algorithm performs well compared to the nonintrusive ones.

We consider a family of linear systems A_mu alpha=C with system matrix A_mu depending on a parameter mu and for simplicity parameter-independent right-hand side C. These linear systems typically result from the finite-dimensional approximation of a parameter-dependent boundary-value problem. We derive a procedure based on the Empirical Interpolation Method to obtain a separated representation of the system matrix in the form A_muapproxsum_{m}beta_m(mu)A_{mu_m} for some selected values of the parameter. Such a separated representation is in particular useful in the Reduced Basis Method. The procedure is called nonintrusive since it only requires to access the matrices A_{mu_m}. As such, it offers a crucial advantage over existing approaches that instead derive separated representations requiring to enter the code at the level of assembly. Numerical examples illustrate the performance of our new procedure on a simple one-dimensional boundary-value problem and on three-dimensional acoustic scattering problems solved by a boundary element method.

We provide an efficient method for computing the maximum likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcome in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d^4) for the basis change plus O(d^3) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d^3) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

Generation of plausible yet incorrect factual information, termed hallucination, is an unsolved issue in large language models. We study the ability of language models to deliberate on the responses they give in order to correct their mistakes. We develop the Chain-of-Verification (CoVe) method whereby the model first (i) drafts an initial response; then (ii) plans verification questions to fact-check its draft; (iii) answers those questions independently so the answers are not biased by other responses; and (iv) generates its final verified response. In experiments, we show CoVe decreases hallucinations across a variety of tasks, from list-based questions from Wikidata, closed book MultiSpanQA and longform text generation.

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

We present a novel method, called NeTO, for capturing 3D geometry of solid transparent objects from 2D images via volume rendering. Reconstructing transparent objects is a very challenging task, which is ill-suited for general-purpose reconstruction techniques due to the specular light transport phenomena. Although existing refraction-tracing based methods, designed specially for this task, achieve impressive results, they still suffer from unstable optimization and loss of fine details, since the explicit surface representation they adopted is difficult to be optimized, and the self-occlusion problem is ignored for refraction-tracing. In this paper, we propose to leverage implicit Signed Distance Function (SDF) as surface representation, and optimize the SDF field via volume rendering with a self-occlusion aware refractive ray tracing. The implicit representation enables our method to be capable of reconstructing high-quality reconstruction even with a limited set of images, and the self-occlusion aware strategy makes it possible for our method to accurately reconstruct the self-occluded regions. Experiments show that our method achieves faithful reconstruction results and outperforms prior works by a large margin. Visit our project page at https://www.xxlong.site/NeTO/

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as ``the simple method'') optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi--Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. To outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

This project focuses on a method to extract a frequency comb in mechanical means, for general interest and numerous practical applications in MEMS. The method of execution is the implementation of a beam that is exhibiting non-linear dynamics that is perturbed and analyzed for its transverse vibrations. The perturbation is an external harmonic driver with a chosen small amplitude and frequency (which is slightly detuned from the beam eigenfrequency), that when engaged with the unperturbed beam oscillations, causes it reach a state of "injection pulling" - an effect that occurs when one harmonic oscillator is coupled with a second one and causes it to oscillate in a frequency near its own. This causes the beam to reach SNIC bifurcation, rendering a frequency comb as desired. Theoretical analysis showed that the problem can be modelled using a non-linear equation of the beam, that translates to a form of the non-linear Duffing equation. While a solution to the dynamics function of the beam is hard to obtain in practice due to mathematical difficulties, a slow evolution model is suggested that is composed of functions of a amplitude and phase. Using several additional mathematical assumptions, the amplitude is seen to be related to the phase, while the phase equation solution is seen to be of the form of Adler's equation. These assumptions ultimately reduce the entire behaviour of the beam to a relatively simple solution to the Adler equation, which has a known analytical solution. Computerized numerical simulations are run on it to check the results and compare them to the theory and desired outcome. The results agreed with the theory and produce the expected frequency comb, showing the assumptions to be valid in extracting the comb.

Variational autoencoders (VAEs) are one of the powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound (ELBo), which consists of a conditional likelihood for generation and a negative Kullback-Leibler (KL) divergence for regularization. In practice, optimizing ELBo often leads the posterior distribution of all samples converge to the same degenerated local optimum, namely posterior collapse or KL vanishing. There are effective ways proposed to prevent posterior collapse in VAEs, but we observe that they in essence make trade-offs between posterior collapse and hole problem, i.e., mismatch between the aggregated posterior distribution and the prior distribution. To this end, we introduce new training objectives to tackle both two problems through a novel regularization based on the probabilistic density gap between the aggregated posterior distribution and the prior distribution. Through experiments on language modeling, latent space visualization and interpolation, we show that our proposed method can solve both problems effectively and thus outperforms the existing methods in latent-directed generation. To the best of our knowledge, we are the first to jointly solve the hole problem and the posterior collapse.

We develop a perturbative framework for systems coupled quadratically to bosonic environments with quadratic Hamiltonians and linear Lindblad operators. The method applies to both single-mode and multimode environments whose initial states may be non-Gaussian and nonstationary. By combining linear evolution in a doubled operator space with a characteristic-function representation, we express ordered multitime environmental correlation functions in terms of derivatives of the initial characteristic function. These correlation functions enter a recursive construction of the time-convolutionless generator at arbitrary finite order. We illustrate the method with a qubit coupled to a damped mode via a two-photon interaction. Initial Fock and thermal states with identical first and second field moments produce different second-order generators through their fourth moments.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

Large Language Models are known to capture real-world knowledge, allowing them to excel in many downstream tasks. Despite recent advances, these models are still prone to what are commonly known as hallucinations, causing them to emit unwanted and factually incorrect text. In this work, we propose a novel calibration method that can be used to combat hallucinations. We add a special [IDK] ("I don't know") token to the model's vocabulary and introduce an objective function that shifts probability mass to the [IDK] token for incorrect predictions. This approach allows the model to express uncertainty in its output explicitly. We evaluate our proposed method across multiple model architectures and factual downstream tasks. We find that models trained with our method are able to express uncertainty in places where they would previously make mistakes while suffering only a small loss of encoded knowledge. We further perform extensive ablation studies of multiple variations of our approach and provide a detailed analysis of the precision-recall tradeoff of our method.

Complex reasoning over tabular data is crucial in real-world data analysis, yet large language models (LLMs) often underperform due to complex queries, noisy data, and limited numerical capabilities. To address these issues, we propose \method, a framework consisting of: (1) a query decomposer that breaks down complex questions, (2) a table sanitizer that cleans and filters noisy tables, and (3) a program-of-thoughts (PoT)-based reasoner that generates executable code to derive the final answer from the sanitized table. To ensure unbiased evaluation and mitigate data leakage, we introduce a new dataset, CalTab151, specifically designed for complex numerical reasoning over tables. Experimental results demonstrate that \method consistently outperforms existing methods, achieving state-of-the-art (SOTA) performance with 8.79%, 6.08%, and 19.87% accuracy improvement on TAT-QA, TableBench, and \method, respectively. Moreover, our framework integrates seamlessly with mainstream LLMs, providing a robust solution for complex tabular numerical reasoning. These findings highlight the effectiveness of our framework in enhancing LLM performance for complex tabular numerical reasoning. Data and code are available upon request.

We propose Squeeze3D, a novel framework that leverages implicit prior knowledge learnt by existing pre-trained 3D generative models to compress 3D data at extremely high compression ratios. Our approach bridges the latent spaces between a pre-trained encoder and a pre-trained generation model through trainable mapping networks. Any 3D model represented as a mesh, point cloud, or a radiance field is first encoded by the pre-trained encoder and then transformed (i.e. compressed) into a highly compact latent code. This latent code can effectively be used as an extremely compressed representation of the mesh or point cloud. A mapping network transforms the compressed latent code into the latent space of a powerful generative model, which is then conditioned to recreate the original 3D model (i.e. decompression). Squeeze3D is trained entirely on generated synthetic data and does not require any 3D datasets. The Squeeze3D architecture can be flexibly used with existing pre-trained 3D encoders and existing generative models. It can flexibly support different formats, including meshes, point clouds, and radiance fields. Our experiments demonstrate that Squeeze3D achieves compression ratios of up to 2187x for textured meshes, 55x for point clouds, and 619x for radiance fields while maintaining visual quality comparable to many existing methods. Squeeze3D only incurs a small compression and decompression latency since it does not involve training object-specific networks to compress an object.

Beam search is the default decoding strategy for many sequence generation tasks in NLP. The set of approximate K-best items returned by the algorithm is a useful summary of the distribution for many applications; however, the candidates typically exhibit high overlap and may give a highly biased estimate for expectations under our model. These problems can be addressed by instead using stochastic decoding strategies. In this work, we propose a new method for turning beam search into a stochastic process: Conditional Poisson stochastic beam search. Rather than taking the maximizing set at each iteration, we sample K candidates without replacement according to the conditional Poisson sampling design. We view this as a more natural alternative to Kool et. al. 2019's stochastic beam search (SBS). Furthermore, we show how samples generated under the CPSBS design can be used to build consistent estimators and sample diverse sets from sequence models. In our experiments, we observe CPSBS produces lower variance and more efficient estimators than SBS, even showing improvements in high entropy settings.

It is well known that the reversibility of Stokes flow makes it difficult for small microorganisms to swim. Inertial effects break this reversibility, allowing new mechanisms of propulsion and feeding. Therefore it is important to understand the effects of unsteady and fluid inertia on the dynamics of microorganisms in flow. In this work, we show how to translate known inertial effects for non-motile organisms to motile ones, from passive to active particles. The method relies on a principle used earlier by Legendre and Magnaudet (1997) to deduce inertial corrections to the lift force on a bubble from the inertial drag on a solid sphere, using the fact that small inertial effects are determined by the far field of the disturbance flow. The method allows for example to compute the inertial effect of unsteady fluid accelerations on motile organisms, and the inertial forces such organisms experience in steady shear flow. We explain why the method fails to describe the effect of convective fluid inertia.

We construct Feynman rules for Lindblad master equations in the operator language of quantum optics: a fixed algebra of elementary operator moves and closed-form propagators for perturbation theory about an exactly solvable, in most cases Gaussian, generator. The expansion separates into a kinematic part (the shift algebra on the Wick-ordered eigenoperators O_{mn}=:(c^dagger)^m c^n:, from which the vertex table for a specified interaction is assembled) and a dynamical part that enters only through the resolvent of the unperturbed generator, diagonal and additive for any stable, diagonalizable Gaussian L_0, including thermal and squeezed reservoirs and correlated decay, and equally available for a two-level emitter, driven or undriven. In the driven Kerr cavity the loop expansion is the semiclassical expansion and the series is asymptotic. In a strongly driven two-level atom, dressed lines replace a series of finite radius by one accurate deep into saturation, one line per Mollow component. For Kerr rings and chains the cost is polynomial in the number of sites at fixed perturbative order. On a three-site ring the diagrams recover the non-Gaussian part of the three-photon correlation that the Gaussian cumulant closure lacks; carried to tenth order they give the smallest g^{(3)} error of the methods compared for Uleq0.25κ at a cost below that of a fourth-order closure, and third- and fourth-order closures are more accurate at moderate coupling. The same rules, extended to the counting-field-tilted generator, give the photon-counting cumulants of a disordered eight-site chain beyond direct diagonalization; quantum-jump trajectories at three couplings agree with them to within 1.6 standard errors, within one at the strongest coupling, where they place the third cumulant six standard errors above the Gaussian value.

We made a comparative analysis of numerical methods for multidimensional optimization. The main parameter is a number of computations of the test function to reach necessary accuracy, as it is computationally "slow". For complex functions, analytic differentiation by many parameters can cause problems associated with a significant complication of the program and thus slowing its operation. For comparison, we used the methods: "brute force" (or minimization on a regular grid), Monte Carlo, steepest descent, conjugate gradients, Brent's method (golden section search), parabolic interpolation etc. The Monte-Carlo method was applied to the eclipsing binary system AM Leo.

We show how to extract from a sufficiently long time series of stationary fluctuations of chemical reactions an estimate of the entropy production. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics, and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

We investigate a variational method for ill-posed problems, named graphLa+Psi, which embeds a graph Laplacian operator in the regularization term. The novelty of this method lies in constructing the graph Laplacian based on a preliminary approximation of the solution, which is obtained using any existing reconstruction method Psi from the literature. As a result, the regularization term is both dependent on and adaptive to the observed data and noise. We demonstrate that graphLa+Psi is a regularization method and rigorously establish both its convergence and stability properties. We present selected numerical experiments in 2D computerized tomography, wherein we integrate the graphLa+Psi method with various reconstruction techniques Psi, including Filter Back Projection (graphLa+FBP), standard Tikhonov (graphLa+Tik), Total Variation (graphLa+TV), and a trained deep neural network (graphLa+Net). The graphLa+Psi approach significantly enhances the quality of the approximated solutions for each method Psi. Notably, graphLa+Net is outperforming, offering a robust and stable application of deep neural networks in solving inverse problems.

We propose a simple multiple outlier identification method for parametric location-scale and shape-scale models when the number of possible outliers is not specified. The method is based on a result giving asymptotic properties of extreme z-scores. Robust estimators of model parameters are used defining z-scores. An extensive simulation study was done for comparing of the proposed method with existing methods. For the normal family, the method is compared with the well known Davies-Gather, Rosner's, Hawking's and Bolshev's multiple outlier identification methods. The choice of an upper limit for the number of possible outliers in case of Rosner's test application is discussed. For other families, the proposed method is compared with a method generalizing Gather-Davies method. In most situations, the new method has the highest outlier identification power in terms of masking and swamping values. We also created R package outliersTests for proposed test.

The Reduced Basis Method can be exploited in an efficient way only if the so-called affine dependence assumption on the operator and right-hand side of the considered problem with respect to the parameters is satisfied. When it is not, the Empirical Interpolation Method is usually used to recover this assumption approximately. In both cases, the Reduced Basis Method requires to access and modify the assembly routines of the corresponding computational code, leading to an intrusive procedure. In this work, we derive variants of the EIM algorithm and explain how they can be used to turn the Reduced Basis Method into a nonintrusive procedure. We present examples of aeroacoustic problems solved by integral equations and show how our algorithms can benefit from the linear algebra tools available in the considered code.

This thesis addresses a fundamental problem in deformation quantization: the difficulty of calculating the star-exponential, the symbol of the evolution operator, due to convergence issues. Inspired by the formalism that connects the star-exponential with the quantum propagator for bosonic systems, this work develops the analogous extension for the fermionic case. A rigorous method, based on Grassmann variables and coherent states, is constructed to obtain a closed-form expression for the fermionic star-exponential from its associated propagator. As a primary application, a fermionic version of the Feynman-Kac formula is derived within this formalism, allowing for the calculation of the ground state energy directly in phase space. Finally, the method is validated by successfully applying it to the simple and driven harmonic oscillators, where it is demonstrated that a simplified ("naive") approach (with an ad-hoc "remediation") is a valid weak-coupling limit of the rigorous ("meticulous") formalism, thereby providing a new and powerful computational tool for the study of fermionic systems.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances, and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

Single-view depth estimation can be remarkably effective if there is enough ground-truth depth data for supervised training. However, there are scenarios, especially in medicine in the case of endoscopies, where such data cannot be obtained. In such cases, multi-view self-supervision and synthetic-to-real transfer serve as alternative approaches, however, with a considerable performance reduction in comparison to supervised case. Instead, we propose a single-view self-supervised method that achieves a performance similar to the supervised case. In some medical devices, such as endoscopes, the camera and light sources are co-located at a small distance from the target surfaces. Thus, we can exploit that, for any given albedo and surface orientation, pixel brightness is inversely proportional to the square of the distance to the surface, providing a strong single-view self-supervisory signal. In our experiments, our self-supervised models deliver accuracies comparable to those of fully supervised ones, while being applicable without depth ground-truth data.

Superconducting nanowire single-photon detectors are widely used in various fields of physics and technology, due to their high efficiency and timing precision. Although, in principle, their detection mechanism offers broadband operation, their wavelength range has to be optimized by the optical cavity parameters for a specific task. We present a study of the optical absorption of a superconducting nanowire single photon detector (SNSPD) with an optical cavity. The optical properties of the niobium nitride films, measured by spectroscopic ellipsometry, were modelled using the Drude-Lorentz model with quantum corrections. The numerical simulations of the optical response of the detectors show that the wavelength range of the detector is not solely determined by its geometry, but the optical conductivity of the disordered thin metallic films contributes considerably. This contribution can be conveniently expressed by the ratio of imaginary and real parts of the optical conductivity. This knowledge can be utilized in detector design.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Wentzel, Kramers, Brillouin (WKB) approximation for fractional systems is investigated in this paper using the fractional calculus. In the fractional case the wave function is constructed such that the phase factor is the same as the Hamilton's principle function "S". To demonstrate our proposed approach two examples are investigated in details.

Choral singing, a widely practiced form of ensemble singing, lacks comprehensive datasets in the realm of Music Information Retrieval (MIR) research, due to challenges arising from the requirement to curate multitrack recordings. To address this, we devised a novel methodology, leveraging state-of-the-art synthesizers to create and curate quality renditions. The scores were sourced from Choral Public Domain Library(CPDL). This work is done in collaboration with a diverse team of musicians, software engineers and researchers. The resulting dataset, complete with its associated metadata, and methodology is released as part of this work, opening up new avenues for exploration and advancement in the field of singing voice research.

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to classify between data samples and samples from some reference distribution. DRE-based models can directly output the likelihood for any given input, a highly desired property that is lacking in most generative techniques. Nevertheless, to date, DRE methods have failed in accurately capturing the distributions of complex high-dimensional data, like images, and have thus been drawing reduced research attention in recent years. In this work we present classification diffusion models (CDMs), a DRE-based generative method that adopts the formalism of denoising diffusion models (DDMs) while making use of a classifier that predicts the level of noise added to a clean signal. Our method is based on an analytical connection that we derive between the MSE-optimal denoiser for removing white Gaussian noise and the cross-entropy-optimal classifier for predicting the noise level. Our method is the first DRE-based technique that can successfully generate images beyond the MNIST dataset. Furthermore, it can output the likelihood of any input in a single forward pass, achieving state-of-the-art negative log likelihood (NLL) among methods with this property. Code is available on the project's webpage in https://shaharYadin.github.io/CDM/ .

Shadow tomography for quantum states provides a sample efficient approach for predicting the properties of quantum systems when the properties are restricted to expectation values of 2-outcome POVMs. However, these shadow tomography procedures yield poor bounds if there are more than 2 outcomes per measurement. In this paper, we consider a general problem of learning properties from unknown quantum states: given an unknown d-dimensional quantum state rho and M unknown quantum measurements M_1,...,M_M with Kgeq 2 outcomes, estimating the probability distribution for applying M_i on rho to within total variation distance epsilon. Compared to the special case when K=2, we need to learn unknown distributions instead of values. We develop an online shadow tomography procedure that solves this problem with high success probability requiring O(Klog^2Mlog d/epsilon^4) copies of rho. We further prove an information-theoretic lower bound that at least Omega(min{d^2,K+log M}/epsilon^2) copies of rho are required to solve this problem with high success probability. Our shadow tomography procedure requires sample complexity with only logarithmic dependence on M and d and is sample-optimal for the dependence on K.

We introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F\"ollmer sampler. We demonstrate the efficacy of ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like NUTS. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable. Finally, we showcase its application in the context of Bayesian inversion problems within the geophysical sciences.

We investigate spectral features of bottomonium at high temperature, in particular the thermal mass shift and width of ground state S-wave and P-wave state. We employ and compare a range of methods for determining these features from lattice NRQCD correlators, including direct correlator analyses (multi-exponential fits and moments of spectral functions), linear methods (Backus-Gilbert, Tikhonov and HLT methods), and Bayesian methods for spectral function reconstruction (MEM and BR). We comment on the reliability and limitations of the various methods.

The underwater 3D scene reconstruction is a challenging, yet interesting problem with applications ranging from naval robots to VR experiences. The problem was successfully tackled by fully volumetric NeRF-based methods which can model both the geometry and the medium (water). Unfortunately, these methods are slow to train and do not offer real-time rendering. More recently, 3D Gaussian Splatting (3DGS) method offered a fast alternative to NeRFs. However, because it is an explicit method that renders only the geometry, it cannot render the medium and is therefore unsuited for underwater reconstruction. Therefore, we propose a novel approach that fuses volumetric rendering with 3DGS to handle underwater data effectively. Our method employs 3DGS for explicit geometry representation and a separate volumetric field (queried once per pixel) for capturing the scattering medium. This dual representation further allows the restoration of the scenes by removing the scattering medium. Our method outperforms state-of-the-art NeRF-based methods in rendering quality on the underwater SeaThru-NeRF dataset. Furthermore, it does so while offering real-time rendering performance, addressing the efficiency limitations of existing methods. Web: https://water-splatting.github.io

Benchmark contamination is diagnosed with n-gram overlap, likelihood-based membership inference, or canary strings, and each needs something usually unavailable: the training corpus, a well-chosen test statistic, or foresight at release. A recent alternative reads it off a linear probe on internal activations. We show the natural way to do this does not work, specify one that survives measurement, then find that the correction making it work carries more variance than the null it is tested against. The protocol reports a zero-sum contrast on the depth profile of probe accuracy, recentred on a level-matched placebo baseline, tested against a label-permutation null, with the reference set twice the size of the suspect set. Each choice replaces a simpler alternative we rejected on measurement. Reporting the level of excess separability rather than its shape makes the false positive rate track the size of the analyst's own control set, 0.03 to 0.99 under a true null. Contrasting against a flat depth profile rejects a true null 0.72 of the time when surface decodability rises with depth, and loses all power when it falls. On real transformers the protocol fails a test the simulations did not pose. The recentring subtracts an estimate, and the permutation null holds it fixed. Re-estimated across split seeds on four audits of contaminated checkpoints, its standard deviation is 1.30 to 1.56 times the null's own in every arm: what is subtracted to remove a bias is more variable than what it corrects. The one nominally significant result, p = 0.0075, becomes 0.0745 once that variance is propagated, and no verdict is issued. The simulations missed this because their surface key is the covariate driving item variation; on real text it is a proxy, and degrading key quality in simulation reproduces it. We add a companion measurement and a widened null. No arm shows contamination.

In this work, we initiate the study of learning quantum processes from quantum statistical queries. We focus on two fundamental learning tasks in this new access model: shadow tomography of quantum processes and process tomography with respect to diamond distance. For the former, we present an efficient average-case algorithm along with a nearly matching lower bound with respect to the number of observables to be predicted. For the latter, we present average-case query complexity lower bounds for learning classes of unitaries. We obtain an exponential lower bound for learning unitary 2-designs and a doubly exponential lower bound for Haar-random unitaries. Finally, we demonstrate the practical relevance of our access model by applying our learning algorithm to attack an authentication protocol using Classical-Readout Quantum Physically Unclonable Functions, partially addressing an important open question in quantum hardware security.

We introduce a method that simultaneously learns to explore new large environments and to reconstruct them in 3D from color images only. This is closely related to the Next Best View problem (NBV), where one has to identify where to move the camera next to improve the coverage of an unknown scene. However, most of the current NBV methods rely on depth sensors, need 3D supervision and/or do not scale to large scenes. Our method requires only a color camera and no 3D supervision. It simultaneously learns in a self-supervised fashion to predict a "volume occupancy field" from color images and, from this field, to predict the NBV. Thanks to this approach, our method performs well on new scenes as it is not biased towards any training 3D data. We demonstrate this on a recent dataset made of various 3D scenes and show it performs even better than recent methods requiring a depth sensor, which is not a realistic assumption for outdoor scenes captured with a flying drone.

In this paper, we present the current progress of the project Verif.ai, an open-source scientific generative question-answering system with referenced and verified answers. The components of the system are (1) an information retrieval system combining semantic and lexical search techniques over scientific papers (PubMed), (2) a fine-tuned generative model (Mistral 7B) taking top answers and generating answers with references to the papers from which the claim was derived, and (3) a verification engine that cross-checks the generated claim and the abstract or paper from which the claim was derived, verifying whether there may have been any hallucinations in generating the claim. We are reinforcing the generative model by providing the abstract in context, but in addition, an independent set of methods and models are verifying the answer and checking for hallucinations. Therefore, we believe that by using our method, we can make scientists more productive, while building trust in the use of generative language models in scientific environments, where hallucinations and misinformation cannot be tolerated.

Post-merger gravitational wave echoes provide a unique opportunity to probe the near-horizon structure of astrophysical black holes, that may be modified due to non-perturbative quantum gravity phenomena. However, since the waveform is subject to large theoretical uncertainties, it is necessary to develop model-agnostic search methods for detecting echoes from observational data. A promising strategy is to identify the characteristic quasinormal modes (QNMs) associated with echoes, {\it in frequency space}, which complements existing searches of quasiperiodic pulses in time. In this study, we build upon our previous work targeting these modes by incorporating relative phase information to optimize the Bayesian search algorithm. Using a new phase-marginalized likelihood, the performance can be significantly improved for well-resolved QNMs. This enables an efficient model-agnostic search for QNMs of different shapes by using a simple search template. To demonstrate the robustness of the search algorithm, we construct four complementary benchmarks for the echo waveform that span a diverse range of different theoretical possibilities for the near-horizon structure. We then validate our Bayesian search algorithms by injecting the benchmark models into different realizations of Gaussian noise. Using two types of phase-marginalized likelihoods, we find that the search algorithm can efficiently detect the corresponding QNMs. Therefore, our search strategy provides a concrete Bayesian and model-agnostic approach to "quantum black hole seismology".

The stereo correspondence and reconstruction of endoscopic data sub-challenge was organized during the Endovis challenge at MICCAI 2019 in Shenzhen, China. The task was to perform dense depth estimation using 7 training datasets and 2 test sets of structured light data captured using porcine cadavers. These were provided by a team at Intuitive Surgical. 10 teams participated in the challenge day. This paper contains 3 additional methods which were submitted after the challenge finished as well as a supplemental section from these teams on issues they found with the dataset.

This paper concerns the derivation of radiative transfer equations for acoustic waves propagating in a randomly fluctuating slab (between two parallel planes) in the weak-scattering regime, and the study of boundary effects through an asymptotic analysis of the Wigner transform of the wave solution. These radiative transfer equations allow to model the transport of wave energy density, taking into account the scattering by random heterogeneities. The approach builds on the method of images, where the slab is extended to a full-space, with a periodic map of mechanical properties and a series of sources located along a periodic pattern. Two types of boundary effects, both on the (small) scale of the wavelength, are observed: one at the boundaries of the slab, and one inside the domain. The former impact the entire energy density (coherent as well as incoherent) and is also observed in half-spaces. The latter, more specific to slabs, corresponds to the constructive interference of waves that have reflected at least twice on the boundaries of the slab and only impacts the coherent part of the energy density.

Computer-aided design (CAD) tools are increasingly popular in modern dental practice, particularly for treatment planning or comprehensive prognosis evaluation. In particular, the 2D panoramic X-ray image efficiently detects invisible caries, impacted teeth and supernumerary teeth in children, while the 3D dental cone beam computed tomography (CBCT) is widely used in orthodontics and endodontics due to its low radiation dose. However, there is no open-access 2D public dataset for children's teeth and no open 3D dental CBCT dataset, which limits the development of automatic algorithms for segmenting teeth and analyzing diseases. The Semi-supervised Teeth Segmentation (STS) Challenge, a pioneering event in tooth segmentation, was held as a part of the MICCAI 2023 ToothFairy Workshop on the Alibaba Tianchi platform. This challenge aims to investigate effective semi-supervised tooth segmentation algorithms to advance the field of dentistry. In this challenge, we provide two modalities including the 2D panoramic X-ray images and the 3D CBCT tooth volumes. In Task 1, the goal was to segment tooth regions in panoramic X-ray images of both adult and pediatric teeth. Task 2 involved segmenting tooth sections using CBCT volumes. Limited labelled images with mostly unlabelled ones were provided in this challenge prompt using semi-supervised algorithms for training. In the preliminary round, the challenge received registration and result submission by 434 teams, with 64 advancing to the final round. This paper summarizes the diverse methods employed by the top-ranking teams in the STS MICCAI 2023 Challenge.

Diffusion models recently proved to be remarkable priors for Bayesian inverse problems. However, training these models typically requires access to large amounts of clean data, which could prove difficult in some settings. In this work, we present a novel method based on the expectation-maximization algorithm for training diffusion models from incomplete and noisy observations only. Unlike previous works, our method leads to proper diffusion models, which is crucial for downstream tasks. As part of our method, we propose and motivate an improved posterior sampling scheme for unconditional diffusion models. We present empirical evidence supporting the effectiveness of our method.

Traditionally, 3D indoor scene reconstruction from posed images happens in two phases: per-image depth estimation, followed by depth merging and surface reconstruction. Recently, a family of methods have emerged that perform reconstruction directly in final 3D volumetric feature space. While these methods have shown impressive reconstruction results, they rely on expensive 3D convolutional layers, limiting their application in resource-constrained environments. In this work, we instead go back to the traditional route, and show how focusing on high quality multi-view depth prediction leads to highly accurate 3D reconstructions using simple off-the-shelf depth fusion. We propose a simple state-of-the-art multi-view depth estimator with two main contributions: 1) a carefully-designed 2D CNN which utilizes strong image priors alongside a plane-sweep feature volume and geometric losses, combined with 2) the integration of keyframe and geometric metadata into the cost volume which allows informed depth plane scoring. Our method achieves a significant lead over the current state-of-the-art for depth estimation and close or better for 3D reconstruction on ScanNet and 7-Scenes, yet still allows for online real-time low-memory reconstruction. Code, models and results are available at https://nianticlabs.github.io/simplerecon

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

We develop a principled procedure for determining when a large language model (LLM) should abstain from responding (e.g., by saying "I don't know") in a general domain, instead of resorting to possibly "hallucinating" a non-sensical or incorrect answer. Building on earlier approaches that use self-consistency as a more reliable measure of model confidence, we propose using the LLM itself to self-evaluate the similarity between each of its sampled responses for a given query. We then further leverage conformal prediction techniques to develop an abstention procedure that benefits from rigorous theoretical guarantees on the hallucination rate (error rate). Experimentally, our resulting conformal abstention method reliably bounds the hallucination rate on various closed-book, open-domain generative question answering datasets, while also maintaining a significantly less conservative abstention rate on a dataset with long responses (Temporal Sequences) compared to baselines using log-probability scores to quantify uncertainty, while achieveing comparable performance on a dataset with short answers (TriviaQA). To evaluate the experiments automatically, one needs to determine if two responses are equivalent given a question. Following standard practice, we use a thresholded similarity function to determine if two responses match, but also provide a method for calibrating the threshold based on conformal prediction, with theoretical guarantees on the accuracy of the match prediction, which might be of independent interest.

We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and simulated using finite-element electromagnetic solvers. We present a robust workflow for achieving high accuracy on design simulations. Many designs in the database are experimentally validated, showing excellent agreement between simulated and measured parameters. Our database includes a front-end interface that allows users to generate ``best-guess'' designs based on desired circuit parameters. This project lowers the barrier to entry for research groups seeking to make a new class of devices by providing them a well-characterized starting point from which to refine their designs.

The Entropic Optimal Transport (EOT) problem and its dynamic counterpart, the Schrödinger bridge (SB) problem, play an important role in modern machine learning, linking generative modeling with optimal transport theory. While recent advances in discrete diffusion and flow models have sparked growing interest in applying SB methods to discrete domains, there is still no reliable way to evaluate how well these methods actually solve the underlying problem. We address this challenge by introducing a benchmark for SB on discrete spaces. Our construction yields pairs of probability distributions with analytically known SB solutions, enabling rigorous evaluation. As a byproduct of building this benchmark, we obtain two new SB algorithms, DLightSB and DLightSB-M, and additionally extend prior related work to construct the α-CSBM algorithm. We demonstrate the utility of our benchmark by evaluating both existing and new solvers in high-dimensional discrete settings. This work provides the first step toward proper evaluation of SB methods on discrete spaces, paving the way for more reproducible future studies.

We present an online method for estimating the cost of solving SAT problems. Modern SAT solvers present several challenges to estimate search cost including non-chronological backtracking, learning and restarts. Our method uses a linear model trained on data gathered at the start of search. We show the effectiveness of this method using random and structured problems. We demonstrate that predictions made in early restarts can be used to improve later predictions. We also show that we can use such cost estimations to select a solver from a portfolio.

High-quality medical systematic reviews require comprehensive literature searches to ensure the recommendations and outcomes are sufficiently reliable. Indeed, searching for relevant medical literature is a key phase in constructing systematic reviews and often involves domain (medical researchers) and search (information specialists) experts in developing the search queries. Queries in this context are highly complex, based on Boolean logic, include free-text terms and index terms from standardised terminologies (e.g., MeSH), and are difficult and time-consuming to build. The use of MeSH terms, in particular, has been shown to improve the quality of the search results. However, identifying the correct MeSH terms to include in a query is difficult: information experts are often unfamiliar with the MeSH database and unsure about the appropriateness of MeSH terms for a query. Naturally, the full value of the MeSH terminology is often not fully exploited. This paper investigates methods to suggest MeSH terms based on an initial Boolean query that includes only free-text terms. These methods promise to automatically identify highly effective MeSH terms for inclusion in a systematic review query. Our study contributes an empirical evaluation of several MeSH term suggestion methods. We perform an extensive analysis of the retrieval, ranking, and refinement of MeSH term suggestions for each method and how these suggestions impact the effectiveness of Boolean queries.

The planning and control of a robot swarm in a complex environment have attracted increasing attention. To this end, the idea of virtual tubes has been taken up in our previous work. Specifically, a virtual tube with varying widths has been planned to avoid collisions with obstacles in a complex environment. Based on the planned virtual tube for a large number of speed-constrained robots, the average forward speed and density along the virtual tube are further planned in this paper to ensure safety and improve efficiency. Compared with the existing methods, the proposed method is based on global information and can be applied to traversing narrow spaces for speed-constrained robot swarms. Numerical simulations and experiments are conducted to show that the safety and efficiency of the passing-through process are improved. A video about simulations and experiments is available on https://youtu.be/lJHdMQMqSpc.

Monocular depth estimation (MDE) is a critical component of many medical tracking and mapping algorithms, particularly from endoscopic or laparoscopic video. However, because ground truth depth maps cannot be acquired from real patient data, supervised learning is not a viable approach to predict depth maps for medical scenes. Although self-supervised learning for MDE has recently gained attention, the outputs are difficult to evaluate reliably and each MDE's generalizability to other patients and anatomies is limited. This work evaluates the zero-shot performance of the newly released Depth Anything Model on medical endoscopic and laparoscopic scenes. We compare the accuracy and inference speeds of Depth Anything with other MDE models trained on general scenes as well as in-domain models trained on endoscopic data. Our findings show that although the zero-shot capability of Depth Anything is quite impressive, it is not necessarily better than other models in both speed and performance. We hope that this study can spark further research in employing foundation models for MDE in medical scenes.

Recent advancements have positioned AI, and particularly Large Language Models (LLMs), as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their exceptional capabilities suggest their potential as scientific research assistants but also highlight the need for holistic, rigorous, and domain-specific evaluation to assess effectiveness in real-world scientific applications. This paper describes a multifaceted methodology for Evaluating AI models as scientific Research Assistants (EAIRA) developed at Argonne National Laboratory. This methodology incorporates four primary classes of evaluations. 1) Multiple Choice Questions to assess factual recall; 2) Open Response to evaluate advanced reasoning and problem-solving skills; 3) Lab-Style Experiments involving detailed analysis of capabilities as research assistants in controlled environments; and 4) Field-Style Experiments to capture researcher-LLM interactions at scale in a wide range of scientific domains and applications. These complementary methods enable a comprehensive analysis of LLM strengths and weaknesses with respect to their scientific knowledge, reasoning abilities, and adaptability. Recognizing the rapid pace of LLM advancements, we designed the methodology to evolve and adapt so as to ensure its continued relevance and applicability. This paper describes the methodology state at the end of February 2025. Although developed within a subset of scientific domains, the methodology is designed to be generalizable to a wide range of scientific domains.

The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's method expressed with respect to the concentration (composition divided by the molar volume) normalized variable. On the other hand, the relations for estimation of the intrinsic diffusion coefficients of components as established by van Loo and integrated diffusion coefficients in a phase with narrow homogeneity range as established by Wagner are currently available with respect to the composition normalized variable only. In this study, we have first derived the relation proposed by den Broeder following the line of treatment proposed by Wagner. Further, the relations for estimation of the intrinsic diffusion coefficients of the components and integrated interdiffusion coefficient are established with respect to the concentration normalized variable, which were not available earlier. The veracity of these methods is examined based on the estimation of data in Ni-Pd, Ni-Al and Cu-Sn systems. Our analysis indicates that both the approaches are logically correct and there is small difference in the estimated data in these systems although a higher difference could be found in other systems. The integrated interdiffusion coefficients with respect to the concentration (or concentration normalized variable) can only be estimated considering the ideal molar volume variation. This might be drawback in certain practical systems.

We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.

Koopman theory turns nonlinear dynamics into a linear spectral problem. In computation, however, everything depends on a hard finite-dimensional choice: the observables must be expressive, nearly invariant under the dynamics, and, ideally, compatible with composition. Deep Koopman methods learn flexible coordinates, whereas structure-preserving methods enforce operator identities on fixed dictionaries. We combine these ideas by introducing Deep Embedded Multiplicative Dynamic Mode Decomposition (DeepMDMD), a method that learns a latent space and a partition of it, while enforcing the Koopman product rule as an exact algebraic constraint. Training alternates between an exact multiplicative operator update and a differentiable latent-clustering step that promotes Koopman closure. The result is a finite transition map on learned latent cells. Its nonzero spectrum lies on the unit circle, its dictionary is shaped by the dynamics rather than by ambient geometry, and forecasts are made in latent coordinates before being decoded to physical space. Across Hamiltonian, chaotic, and fluid examples, DeepMDMD learns dictionaries that are far more compact and dynamically coherent than those produced by geometric MDMD partitions. It reduces spectral pollution, reveals richer continuous-spectrum structure, and gives stable forecasts under severe noise. In high-dimensional flows, including a 158,624-dimensional cylinder wake and a noisy Re=20,000 lid-driven cavity, it preserves coherent structures and long-time spectral statistics where state-space MDMD fails. These results suggest a practical rule for Koopman learning: learn the coordinates, constrain the algebra.

The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree well with Widom's test particle insertion but show at very high densities significantly smaller statistical uncertainties. The gradual insertion method, which is coupled here with preferential sampling, extends the density range where reliable information on the chemical potential can be obtained. Application details are reported.

We model and study the processes of excitation, absorption, and transfer in various networks. The model consists of a harmonic oscillator representing a single-mode radiation field, a qubit acting as an antenna, a network through which the excitation propagates, and a qubit at the end serving as a sink. We investigate how off-resonant excitations can be optimally absorbed and transmitted through the network. Three strategies are considered: optimising network energies, adjusting the couplings between the radiation field, the antenna, and the network, or introducing and optimising driving fields at the start and end of the network. These strategies are tested on three different types of network with increasing complexity: nearest-neighbour and star configurations, and one associated with the Fenna-Matthews-Olson complex. The results show that, among the various strategies, the introduction of driving fields is the most effective, leading to a significant increase in the probability of reaching the sink in a given time. This result remains stable across networks of varying dimensionalities and types, and the driving process requires only a few parameters to be effective.

Short-recurrence Krylov methods that are equivalent in exact arithmetic often diverge in floating-point arithmetic. To illustrate this, we provide an exactly representable two-cycle for steepest descent with a recursively updated residual. A complementary convergence theorem gives a sufficient condition under which the stored residual decreases geometrically. We then show that a second positive definite family yields different outcomes for a Hestenes--Stiefel Conjugate Gradient (CG) implementation and a direct Lanczos--Galerkin approach. CG finds the exact solution after four updates, whereas the two-step projected system becomes inconsistent. Under stated perturbation and transfer hypotheses, a common spectral enclosure gives comparable convergence bounds. For a dense, left-to-right evaluation order, we prove a sufficient precision bound for a prescribed backward error within n updates for an ntimes n matrix, together with a computable stopping test and specified exponent-range assumptions. We use polynomial estimates and numerical experiments to examine the trade-off between working precision and the number of CG iterations needed to achieve a prescribed backward error. We also compare results on inexact matrix-vector products and preconditioning with the frameworks of Paige and Greenbaum. For block Lanczos, we analyze Householder orthogonalization and singular-value truncation as the block size changes. Under componentwise and normwise error bounds, the computed coefficients satisfy a controlled local recurrence and an exact block Lanczos relation for a nearby symmetric problem in a larger space. A block form of Paige's identity bounds the overlap with a Ritz vector along its residual coordinate direction. An inter-block recurrence describes the evolution of overlap, and a Gram-matrix argument gives a count of additional nearby Ritz values.

We investigate the fidelity of Grover's search algorithm by implementing it on an open quantum system. In particular, we study with what accuracy one can estimate that the algorithm would deliver the searched state. In reality, every system has some influence of its environment. We include the environmental effects on the system dynamics by using a recently reported fluctuation-regulated quantum master equation (FRQME). The FRQME indicates that in addition to the regular relaxation due to system-environment coupling, the applied drive also causes dissipation in the system dynamics. As a result, the fidelity is found to depend on both the drive-induced dissipative terms and the relaxation terms and we find that there exists a competition between them, leading to an optimum value of the drive amplitude for which the fidelity becomes maximum. For efficient implementation of the search algorithm, precise knowledge of this optimum drive amplitude is essential.

We study quantum state tomography when the unknown state lies in a trace-distance ball of radius R around a known reference state ρ. For arbitrary collective measurements, we determine the minimax expected risk and confidence radius up to universal constants, uniformly over the dimension, center spectrum, radius, and sample size. Write Γ=d(Trsqrtρ)^2+d^2R. For dge2, 0<Rle1, and nge1 copies, the expected risk is Θ(min{R,Γ/n}). At failure probability 0<δle1/3, the minimax confidence radius is \[ Θ\!\left(\min\left\{R,\frac{Γ+\log(1/δ){n}}\right\}\right). \] For varepsilonle c_0R with a universal c_0>0, the copy complexity is Θ((Γ+log(1/δ))/varepsilon^2). For the lower bound we use a weighted trace-norm witness to retain all spectral scales in a square-root perturbation family. For the upper bound, we give a direct spectral and concentration analysis of a modified existing purification-based procedure.

Detecting dental diseases through panoramic X-rays images is a standard procedure for dentists. Normally, a dentist need to identify diseases and find the infected teeth. While numerous machine learning models adopting this two-step procedure have been developed, there has not been an end-to-end model that can identify teeth and their associated diseases at the same time. To fill the gap, we develop YOLOrtho, a unified framework for teeth enumeration and dental disease detection. We develop our model on Dentex Challenge 2023 data, which consists of three distinct types of annotated data. The first part is labeled with quadrant, and the second part is labeled with quadrant and enumeration and the third part is labeled with quadrant, enumeration and disease. To further improve detection, we make use of Tufts Dental public dataset. To fully utilize the data and learn both teeth detection and disease identification simultaneously, we formulate diseases as attributes attached to their corresponding teeth. Due to the nature of position relation in teeth enumeration, We replace convolution layer with CoordConv in our model to provide more position information for the model. We also adjust the model architecture and insert one more upsampling layer in FPN in favor of large object detection. Finally, we propose a post-process strategy for teeth layout that corrects teeth enumeration based on linear sum assignment. Results from experiments show that our model exceeds large Diffusion-based model.

Feed-forward 3D foundation models reconstruct perspective scenes in one pass. Satellite photogrammetry needs a different product, one that domain adaptation alone does not deliver: dense surface height in an absolute geodetic frame under non-central rational polynomial cameras (RPCs). Perspective-pretrained features are not reliably observable along RPC height rays, absolute elevation carries a low-order height--datum gauge exchangeable with sensor bias to first order, and monocular and multi-view cues fail in different regions. treats all three. Lightweight ray-consistent adapters make a frozen backbone matchable along native RPC rays. An explicit datum mechanism separates relief from absolute level and is equivariant to the vertical origin by construction, so one trained model serves zero-, one-, and sparse-control inference. Calibrated inverse-variance fusion combines the two relief streams. , our absolute-frame benchmark of eighteen systems across in-domain, cross-dataset, and cross-city tiers, scores absolute placement without registration or test-reference leakage. On 26 held-out US3D tiles, attains 2.99\,m absolute MAE at 91.9% coverage, improves completeness-aware accuracy by 46.4 points over the strongest compliant feed-forward baseline, remains the most accurate such system under both transfer shifts, and runs in 24\,s model-forward time per tile. Code and models will be released at https://github.com/HIT-SIRS/GeoRay

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an n-qubit gapped local Hamiltonian H from only n^{O(1)} data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to O(log n) samples when the geometry of the n-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size n, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.

Generating a 3D dental volume from a single panoramic radiograph (PXR) could provide a low-radiation alternative to Cone-Beam Computed Tomography (CBCT), but the problem is highly underdetermined: panoramic acquisition integrates 3D attenuation along curved X-ray paths into a 2D image, leaving depth-resolved anatomy unobserved. Existing implicit and generative approaches often produce oversmoothed geometry or anatomically inconsistent hallucinations, lacking geometry-driven supervision and relying on smooth representations unable to precisely localize sharp anatomical boundaries. We propose X-Splat, the first Gaussian Splatting framework for generating CBCT-like 3D dental volumes from a single PXR. X-Splat uses the known panoramic acquisition geometry as a generation scaffold: learnable anisotropic Gaussian primitives are initialized along the X-ray paths that formed the input image and adjusted in a single feed-forward pass, constrained by Beer-Lambert reprojection and multi-view radiographic training supervision. A lightweight residual refiner adds dataset-level anatomical priors without overriding the geometry already resolved by the Gaussians. We train on synthetic PXR-CBCT pairs, enabling direct volumetric supervision without paired real scans. We further introduce segmentation-based geometry-aware metrics, providing the first evaluation of PXR-based generation over maxillofacial anatomy. X-Splat outperforms NeRF- and GAN-based baselines, recovering individual teeth, cortical boundaries, and alveolar structure, including the mandibular canal which prior methods fail to reconstruct. Code will be available at https://github.com/tomek1911/X-Splat

Exemplar methods separate a mixture by picking one learned spectrum per source and deforming it until it explains the observation, making one deformation class both reconstructor and selector. We show that the second role is empty as soon as the class can interpolate: the rule then ranks candidates on its regulariser, a choice made before the data, and the estimates sum back to the mixture whichever candidate wins. The condition is a parameter count, so the diagnosis runs before any experiment. On free per-bin deformation of complex spectra it explains the observed pathologies at once: a criterion that ranks candidates by their loudness, and half an output that is a mask on the mixture rather than an exemplar. The same theorem prescribes the repair, a selection class poorer than the reconstruction class: one complex gain and one pure delay rank the candidates, and a local combination of the best-aligned atoms, fitted jointly in closed form, rebuilds them. On MUSDB18 against the exact ceiling of the masking class, the distance between the criterion and an oracle inside its own candidate pool falls under the rigid selector from 6.2-7.7 to 0.5-2.8 dB, though only 0.9-1.2 dB of that reaches the output, and the per-frame latency of the deployed rule by a factor of 47 to 806. One lock remains, quantified: atoms are scored against the mixture, so the score carries a term for the other source that absorbs the capacity the reconstruction class gains, leaving the output 10.0 dB under the ceiling. Ranking hypotheses by the residual of a fit free enough to interpolate ranks them on the regulariser alone.

Statistical prediction methods typically require some form of fine-tuning of tuning parameter(s), with K-fold cross-validation as the canonical procedure. For ridge regression there exist numerous procedures, but common for all, including cross-validation, is that one single parameter is chosen for all future predictions. We propose instead to calculate a unique tuning parameter for each individual for which we wish to predict an outcome. This generates an individualized prediction by focusing on the vector of covariates of a specific individual. The focused ridge -- fridge -- procedure is introduced with a two-part contribution: 1) first we define an oracle tuning parameter minimizing the mean squared prediction error of a specific covariate vector, 2) then we propose to estimate this tuning parameter by using plug-in estimates of the regression coefficients and error variance parameter. The procedure is extended to logistic ridge regression by utilizing parametric bootstrap. For high-dimensional data, we propose to use ridge regression with cross-validation as the plug-in estimate, and simulations show that fridge gives smaller average prediction error than ridge with cross-validation for both simulated and real data. We illustrate the new concept for both linear and logistic regression models in two applications of personalized medicine: predicting individual risk and treatment response based on gene expression data. The method is implemented in the R package "fridge".

A dense, pretrained language model can be retrofitted with recurrent depth and learn an iterative latent transition that persists after outcome-only annealing. Qwen2.5-0.5B-Instruct is split into a Prelude, a weight-tied Recurrent Block, and a Coda, with an identity-preserving one-loop path and a re-entry bridge on later loops. At loop 1 the retrofit remains non-inferior to its base on a preregistered ARC battery. Three findings. First, the mechanism is a reusable procedure rather than terminal-answer lookup, and installs at two budgets: 6M trained parameters over frozen base weights and 180M full-block. With intermediate-step supervision, the model computes one task step per loop and persists when only final answers are graded. The adapter matched the full block overall (83.8% versus 84.0%), led through depth 11, and trailed beyond. Verbal fine-tuning reached 79-86% on controlled verbal renderings (zero-shot transfer was minimal), and adapter verbal training begun from the installed mechanism outpaced matched fresh training by 18.6 points, including on a held-out test set. Second, the operation extrapolates to roughly 1.5 times its supervised depth, holding 70% accuracy through depth 18. Third, a same-size scratchpad-trained model matched the recurrent model within its learned horizon but collapsed beyond it. The recurrent model won overall, 84% versus 72%, retained 53% versus 2.5% beyond depth 10, and answered 7.6 times faster. An iterative transformer can therefore perform deeper reasoning in latent space faster than comparable or larger models fine-tuned on the same task, in a system-level comparison. A second task, running the rule in reverse, exposed the limits: the inverse was learnable in isolation, but no continuation acquired it while preserving the installed mechanism and general capability, a catastrophic-interference boundary. Learned depth selection remains open.

We revisit quantum phase estimation algorithms for the purpose of obtaining the energy levels of many-body Hamiltonians and pay particular attention to the statistical analysis of their outputs. We introduce the mean phase direction of the parent distribution associated with eigenstate inputs as a new post-processing tool. By connecting it with the unknown phase, we find that if used as its direct estimator, it exceeds the accuracy of the standard majority rule using one less bit of resolution, making evident that it can also be inverted to provide unbiased estimation. Moreover, we show how to directly use this quantity to accurately find the energy levels when the initialized state is an eigenstate of the simulated propagator during the whole time evolution, which allows for shallower algorithms. We then use IBM Q hardware to carry out the digital quantum simulation of three toy models: a two-level system, a two-spin Ising model and a two-site Hubbard model at half-filling. Methodologies are provided to implement Trotterization and reduce the variability of results in noisy intermediate scale quantum computers.

High-dimensional, underdetermined and highly correlated systems are common in data science practice, especially when analyzing physical measurements. In such settings, feature selection poses a fundamental challenge because multiple distinct sparse subsets may explain the response equally well. Their identification is crucial not only for predictive modeling but also for generating domain-specific insights into the underlying mechanisms. Yet, conventional methods typically isolate a single solution, obscuring the full spectrum of plausible explanations. This work introduces GEMSS (Gaussian Ensemble for Multiple Sparse Solutions), a variational algorithm designed to simultaneously discover multiple, diverse sparse feature combinations. The method employs a structured spike-and-slab prior for sparsity, a mixture of Gaussians to approximate the intractable multimodal posterior, and a Jaccard-based penalty to further control solution diversity. A single objective function is optimized via stochastic gradient descent. The method is tested on 128 comprehensive experiments by a novel benchmarking framework designed to generate artificial problems with multiple sparse solutions of equal predictive properties. This allows us to measure the retrieval of ground truth features rather than only evaluating predictive performance -- characteristics more fitting to our practical needs. A comparative analysis shows that GEMSS consistently outperforms five prominent feature selection methods adapted through the ALFESE framework. Finally, we demonstrate practical usability through 3 challenging real-world datasets from metabolomics and physical chemistry: GEMSS successfully isolates multiple distinct yet quality solutions. GEMSS is available as a PyPI package 'gemss'. The corresponding repository github.com/kat-er-ina/gemss/ includes the full codebase and a free, no-code application GEMSS Explorer.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

Subliminal learning is a phenomenon in which a distillation dataset transmits traits from the teacher model that are not legibly encoded in the dataset itself. This introduces a new challenge for model development and creates new risks from data poisoning. In this work, we use text optimization to detect subliminal learning effects and describe them as legible prompts. Subliminal learning from a prompted teacher motivates our approach. We observe that this is a special case of context distillation and leverage this observation to show that, in theory, the prompted subliminal learning dataset identifies the teacher's prompt. We reduce recovering this prompt to a text optimization problem and present a method to approximately solve it. Our method, SALVE (Search-Aided Latent Verbalization), optimizes a soft prompt, queries the same model to verbalize it as text, and uses beam search to make the verbalization reliable. In the standard subliminal learning setting, SALVE reliably recovers legible prompts that name the teacher's trait, while common text optimization methods fail to do so. In addition, we find that there are settings in which SALVE recovers the teacher's trait from a dataset even when subliminal learning fails, but that modifying student training to improve context distillation can create subliminal learning effects. We lastly show that SALVE detects subliminal learning effects in three additional settings: (1) mixtures of subliminal learning data and unrelated data, (2) data generated when the teacher is biased via activation steering, and (3) subsets of real preference data selected via Logit-Linear Selection. Overall, our results deepen our understanding of subliminal learning and present SALVE as a method to proactively detect subliminal learning effects.

We present and experimentally realize a quantum algorithm for efficiently solving the following problem: given an Ntimes N matrix M, an N-dimensional vector emph{b}, and an initial vector emph{x}(0), obtain a target vector emph{x}(t) as a function of time t according to the constraint demph{x}(t)/dt=Memph{x}(t)+emph{b}. We show that our algorithm exhibits an exponential speedup over its classical counterpart in certain circumstances. In addition, we demonstrate our quantum algorithm for a 4times4 linear differential equation using a 4-qubit nuclear magnetic resonance quantum information processor. Our algorithm provides a key technique for solving many important problems which rely on the solutions to linear differential equations.

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language processing, and yet, their factual inaccuracies and hallucinations limits their application, particularly in critical domains like healthcare. Context retrieval methods, by introducing relevant information as input, have emerged as a crucial approach for enhancing LLM factuality and reliability. This study explores the boundaries of context retrieval methods within the healthcare domain, optimizing their components and benchmarking their performance against open and closed alternatives. Our findings reveal how open LLMs, when augmented with an optimized retrieval system, can achieve performance comparable to the biggest private solutions on established healthcare benchmarks (multiple-choice question answering). Recognizing the lack of realism of including the possible answers within the question (a setup only found in medical exams), and after assessing a strong LLM performance degradation in the absence of those options, we extend the context retrieval system in that direction. In particular, we propose OpenMedPrompt a pipeline that improves the generation of more reliable open-ended answers, moving this technology closer to practical application.

We present a method for creating 3D indoor scenes with a generative model learned from a collection of semantic-segmented depth images captured from different unknown scenes. Given a room with a specified size, our method automatically generates 3D objects in a room from a randomly sampled latent code. Different from existing methods that represent an indoor scene with the type, location, and other properties of objects in the room and learn the scene layout from a collection of complete 3D indoor scenes, our method models each indoor scene as a 3D semantic scene volume and learns a volumetric generative adversarial network (GAN) from a collection of 2.5D partial observations of 3D scenes. To this end, we apply a differentiable projection layer to project the generated 3D semantic scene volumes into semantic-segmented depth images and design a new multiple-view discriminator for learning the complete 3D scene volume from 2.5D semantic-segmented depth images. Compared to existing methods, our method not only efficiently reduces the workload of modeling and acquiring 3D scenes for training, but also produces better object shapes and their detailed layouts in the scene. We evaluate our method with different indoor scene datasets and demonstrate the advantages of our method. We also extend our method for generating 3D indoor scenes from semantic-segmented depth images inferred from RGB images of real scenes.

Conventional Computed Tomography (CT) methods require large numbers of noise-free projections for accurate density reconstructions, limiting their applicability to the more complex class of Cone Beam Geometry CT (CBCT) reconstruction. Recently, deep learning methods have been proposed to overcome these limitations, with methods based on neural fields (NF) showing strong performance, by approximating the reconstructed density through a continuous-in-space coordinate based neural network. Our focus is on improving such methods, however, unlike previous work, which requires training an NF from scratch for each new set of projections, we instead propose to leverage anatomical consistencies over different scans by training a single conditional NF on a dataset of projections. We propose a novel conditioning method where local modulations are modeled per patient as a field over the input domain through a Neural Modulation Field (NMF). The resulting Conditional Cone Beam Neural Tomography (CondCBNT) shows improved performance for both high and low numbers of available projections on noise-free and noisy data.

We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.

As Large Language Models (LLMs) become more pervasive across various users and scenarios, identifying potential issues when using these models becomes essential. Examples of such issues include: bias, inconsistencies, and hallucination. Although auditing the LLM for these problems is often warranted, such a process is neither easy nor accessible for most. An effective method is to probe the LLM using different versions of the same question. This could expose inconsistencies in its knowledge or operation, indicating potential for bias or hallucination. However, to operationalize this auditing method at scale, we need an approach to create those probes reliably and automatically. In this paper we propose the LLMAuditor framework which is an automatic, and scalable solution, where one uses a different LLM along with human-in-the-loop (HIL). This approach offers verifiability and transparency, while avoiding circular reliance on the same LLM, and increasing scientific rigor and generalizability. Specifically, LLMAuditor includes two phases of verification using humans: standardized evaluation criteria to verify responses, and a structured prompt template to generate desired probes. A case study using questions from the TruthfulQA dataset demonstrates that we can generate a reliable set of probes from one LLM that can be used to audit inconsistencies in a different LLM. This process is enhanced by our structured prompt template with HIL, which not only boosts the reliability of our approach in auditing but also yields the delivery of less hallucinated results. The novelty of our research stems from the development of a comprehensive, general-purpose framework that includes a HIL verified prompt template for auditing responses generated by LLMs.

Purpose: A profound education of novice surgeons is crucial to ensure that surgical interventions are effective and safe. One important aspect is the teaching of technical skills for minimally invasive or robot-assisted procedures. This includes the objective and preferably automatic assessment of surgical skill. Recent studies presented good results for automatic, objective skill evaluation by collecting and analyzing motion data such as trajectories of surgical instruments. However, obtaining the motion data generally requires additional equipment for instrument tracking or the availability of a robotic surgery system to capture kinematic data. In contrast, we investigate a method for automatic, objective skill assessment that requires video data only. This has the advantage that video can be collected effortlessly during minimally invasive and robot-assisted training scenarios. Methods: Our method builds on recent advances in deep learning-based video classification. Specifically, we propose to use an inflated 3D ConvNet to classify snippets, i.e., stacks of a few consecutive frames, extracted from surgical video. The network is extended into a Temporal Segment Network during training. Results: We evaluate the method on the publicly available JIGSAWS dataset, which consists of recordings of basic robot-assisted surgery tasks performed on a dry lab bench-top model. Our approach achieves high skill classification accuracies ranging from 95.1% to 100.0%. Conclusions: Our results demonstrate the feasibility of deep learning-based assessment of technical skill from surgical video. Notably, the 3D ConvNet is able to learn meaningful patterns directly from the data, alleviating the need for manual feature engineering. Further evaluation will require more annotated data for training and testing.