Daily Papers

We study four-point correlation functions of degenerated fields in the NS sector in Super-Liouville field theory. We find integral expressions for these functions using the BPZ equation, and study some superconformal properties of these solutions. Finally, we present the general form for three-point correlation functions.

We find candidate macroscopic gravity duals for scale-invariant but non-Lorentz invariant fixed points, which do not have particle number as a conserved quantity. We compute two-point correlation functions which exhibit novel behavior relative to their AdS counterparts, and find holographic renormalization group flows to conformal field theories. Our theories are characterized by a dynamical critical exponent z, which governs the anisotropy between spatial and temporal scaling t to lambda^z t, x to lambda x; we focus on the case with z=2. Such theories describe multicritical points in certain magnetic materials and liquid crystals, and have been shown to arise at quantum critical points in toy models of the cuprate superconductors. This work can be considered a small step towards making useful dual descriptions of such critical points.

Using data from the Galaxy and Mass Assembly (GAMA) survey, we investigate how galaxy properties correlate with the local environment, focusing on the two southern regions of the survey (G02 and G23) that have not previously been examined in this context. We employ two-point and marked correlation functions to quantify the environmental dependence of galaxy color, stellar mass, luminosity across the u, g, r, J, and K bands, as well as star formation rate (SFR) and specific star formation rate (sSFR). We also assess the impact of redshift incompleteness and cosmic variance on these clustering measurements. Our results show that u-r and g-r colors are most strongly correlated with local overdensity, followed by stellar mass. The sSFR exhibits a clear inverse relationship with density of the environment, consistent with the trend observed for u-band luminosity, which traces young stellar populations. In contrast, galaxies brighter in the g, J, and K bands preferentially inhabit denser regions. By comparing our measurements from the southern regions with those from the equatorial regions of GAMA, we find that cosmic variance does not significantly influence our conclusions. However, redshift incompleteness affects the clustering measurements, as revealed through comparisons of subsets within the G02 region. The measured correlations provide key constraints for models of galaxy assembly across mass and environment, while the environmental trends in color and near-infrared luminosity offer a means to trace stellar mass growth and quenching with redshift.

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has increasingly been recognized. However, whether and how the zeros contribute to electronic properties is a matter of uncertainty. Here we address the issue in an exactly solvable model for Mott insulator. We show that the Green's function zeros contribute to several physically measurable correlation functions, in a way that does not run into inconsistencies. In particular, the physical properties remain robust to chemical potential variations up to the Mott gap as it should be based on general considerations. Our work sets the stage for further understandings on the rich interplay among topology, symmetry and strong correlations.

It is well established that the spectral analysis of canonically quantized four-dimensional Seiberg-Witten curves can be systematically studied via the Nekrasov-Shatashvili functions. In this paper, we explore another aspect of the relation between N=2 supersymmetric gauge theories in four dimensions and operator theory. Specifically, we study an example of an integral operator associated with Painlev\'e equations and whose spectral traces are related to correlation functions of the 2d Ising model. This operator does not correspond to a canonically quantized Seiberg-Witten curve, but its kernel can nevertheless be interpreted as the density matrix of an ideal Fermi gas. Adopting the approach of Tracy and Widom, we provide an explicit expression for its eigenfunctions via an O(2) matrix model. We then show that these eigenfunctions are computed by surface defects in SU(2) super Yang-Mills in the self-dual phase of the Omega-background. Our result also yields a strong coupling expression for such defects which resums the instanton expansion. Even though we focus on one concrete example, we expect these results to hold for a larger class of operators arising in the context of isomonodromic deformation equations.

Predicting properties of complex, large-scale quantum systems is essential for developing quantum technologies. We present an efficient method for constructing an approximate classical description of a quantum state using very few measurements of the state. This description, called a classical shadow, can be used to predict many different properties: order log M measurements suffice to accurately predict M different functions of the state with high success probability. The number of measurements is independent of the system size, and saturates information-theoretic lower bounds. Moreover, target properties to predict can be selected after the measurements are completed. We support our theoretical findings with extensive numerical experiments. We apply classical shadows to predict quantum fidelities, entanglement entropies, two-point correlation functions, expectation values of local observables, and the energy variance of many-body local Hamiltonians. The numerical results highlight the advantages of classical shadows relative to previously known methods.

The Leggett-Garg inequalities probe the classical-quantum boundary by putting limits on the sum of pairwise correlation functions between classical measurement devices that consecutively measured the same quantum system. The apparent violation of these inequalities by standard quantum measurements has cast doubt on quantum mechanics' ability to consistently describe classical objects. Recent work has concluded that these inequalities cannot be violated by either strong or weak projective measurements [1]. Here I consider an entropic version of the Leggett-Garg inequalities that are different from the standard inequalities yet similar in form, and can be defined without reference to any particular observable. I find that the entropic inequalities also cannot be be violated by strong quantum measurements. The entropic inequalities can be extended to describe weak quantum measurements, and I show that these weak entropic Leggett-Garg inequalities cannot be violated either even though the quantum system remains unprojected, because the inequalities describe the classical measurement devices, not the quantum system. I conclude that quantum mechanics adequately describes classical devices, and that we should be careful not to assume that the classical devices accurately describe the quantum system.

We set up precision holography for the non-conformal branes preserving 16 supersymmetries. The near-horizon limit of all such p-brane solutions with p \leq 4, including the case of fundamental string solutions, is conformal to AdS_{p+2} x S^{8-p} with a linear dilaton. We develop holographic renormalization for all these cases. In particular, we obtain the most general asymptotic solutions with appropriate Dirichlet boundary conditions, find the corresponding counterterms and compute the holographic 1-point functions, all in complete generality and at the full non-linear level. The result for the stress energy tensor properly defines the notion of mass for backgrounds with such asymptotics. The analysis is done both in the original formulation of the method and also using a radial Hamiltonian analysis. The latter formulation exhibits most clearly the existence of an underlying generalized conformal structure. In the cases of Dp-branes, the corresponding dual boundary theory, the maximally supersymmetric Yang-Mills theory SYM_{p+1}, indeed exhibits the generalized conformal structure found at strong coupling. We compute the holographic 2-point functions of the stress energy tensor and gluon operator and show they satisfy the expected Ward identities and the constraints of generalized conformal structure. The holographic results are also manifestly compatible with the M-theory uplift, with the asymptotic solutions, counterterms, one and two point functions etc of the IIA F1 and D4 appropriately descending from those of M2 and M5 branes, respectively. We present a few applications including the computation of condensates in Witten's model of holographic YM_4 theory.

We study the electron-positron to muon--anti-muon cross-section in the asymptotically safe Standard Model. In particular, we include the graviton contributions to the scattering amplitude, which is computed from momentum-dependent time-like one-particle-irreducible correlation functions. Specifically, we employ reconstruction techniques for the graviton spectral functions. We find that the full asymptotically safe quantum cross section decreases in the ultraviolet with the centre-of-mass energy, and is compatible with unitarity bounds. Importantly, our findings provide non-trivial evidence for the unitarity of the asymptotically safe Standard Model.

Simulating large, strongly interacting fermionic systems remains a major challenge for existing numerical methods. In this work, we present, for the first time, the application of neural quantum states - specifically, hidden fermion determinant states (HFDS) - to simulate the strongly interacting limit of the Fermi-Hubbard model, namely the t-J model, across the entire doping regime. We demonstrate that HFDS achieve energies competitive with matrix product states (MPS) on lattices as large as 8 times 8 sites while using several orders of magnitude fewer parameters, suggesting the potential for efficient application to even larger system sizes. This remarkable efficiency enables us to probe low-energy physics across the full doping range, providing new insights into the competition between kinetic and magnetic interactions and the nature of emergent quasiparticles. Starting from the low-doping regime, where magnetic polarons dominate the low energy physics, we track their evolution with increasing doping through analyses of spin and polaron correlation functions. Our findings demonstrate the potential of determinant-based neural quantum states with inherent fermionic sign structure, opening the way for simulating large-scale fermionic systems at any particle filling.

We consider holography for d-dimensional scale invariant but non-Lorentz invariant field theories, which do not admit the full Schrodinger symmetry group. We find new realizations of the corresponding (d+1)-dimensional gravity duals, engineered with a variety of matter Lagrangians, and their finite temperature generalizations. The thermodynamic properties of the finite temperature backgrounds are precisely those expected for anisotropic, scale invariant field theories. The brane and string theory realizations of such backgrounds are briefly discussed, along with their holographic interpretation in terms of marginal but non Lorentz invariant deformations of conformal field theories. We initiate discussion of holographic renormalization in these backgrounds, and note that such systematic renormalization is necessary to obtain the correct behavior of correlation functions.

After decades of brown dwarf discovery and follow-up, we can now infer the functional form of the mass distribution within 20 parsecs, which serves as a constraint on star formation theory at the lowest masses. Unlike objects on the main sequence that have a clear luminosity-to-mass correlation, brown dwarfs lack a correlation between an observable parameter (luminosity, spectral type, or color) and mass. A measurement of the brown dwarf mass function must therefore be procured through proxy measurements and theoretical models. We utilize various assumed forms of the mass function, together with a variety of birthrate functions, low-mass cutoffs, and theoretical evolutionary models, to build predicted forms of the effective temperature distribution. We then determine the best fit of the observed effective temperature distribution to these predictions, which in turn reveals the most likely mass function. We find that a simple power law (dN/dM propto M^{-α}) with αapprox 0.5 is optimal. Additionally, we conclude that the low-mass cutoff for star formation is lesssim0.005M_{odot}. We corroborate the findings of Burgasser (2004) which state that the birthrate has a far lesser impact than the mass function on the form of the temperature distribution, but we note that our alternate birthrates tend to favor slightly smaller values of α than the constant birthrate. Our code for simulating these distributions is publicly available. As another use case for this code, we present findings on the width and location of the subdwarf temperature gap by simulating distributions of very old (8-10 Gyr) brown dwarfs.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

Large pre-trained vision-language models such as CLIP provide compact and general-purpose representations of text and images that are demonstrably effective across multiple downstream zero-shot prediction tasks. However, owing to the nature of their training process, these models have the potential to 1) propagate or amplify societal biases in the training data and 2) learn to rely on spurious features. This paper proposes FairerCLIP, a general approach for making zero-shot predictions of CLIP more fair and robust to spurious correlations. We formulate the problem of jointly debiasing CLIP's image and text representations in reproducing kernel Hilbert spaces (RKHSs), which affords multiple benefits: 1) Flexibility: Unlike existing approaches, which are specialized to either learn with or without ground-truth labels, FairerCLIP is adaptable to learning in both scenarios. 2) Ease of Optimization: FairerCLIP lends itself to an iterative optimization involving closed-form solvers, which leads to 4times-10times faster training than the existing methods. 3) Sample Efficiency: Under sample-limited conditions, FairerCLIP significantly outperforms baselines when they fail entirely. And, 4) Performance: Empirically, FairerCLIP achieves appreciable accuracy gains on benchmark fairness and spurious correlation datasets over their respective baselines.

Automatic summarization is the process of reducing a text document in order to generate a summary that retains the most important points of the original document. In this work, we study two problems - i) summarizing a text document as set of keywords/caption, for image recommedation, ii) generating opinion summary which good mix of relevancy and sentiment with the text document. Intially, we present our work on an recommending images for enhancing a substantial amount of existing plain text news articles. We use probabilistic models and word similarity heuristics to generate captions and extract Key-phrases which are re-ranked using a rank aggregation framework with relevance feedback mechanism. We show that such rank aggregation and relevant feedback which are typically used in Tagging Documents, Text Information Retrieval also helps in improving image retrieval. These queries are fed to the Yahoo Search Engine to obtain relevant images 1. Our proposed method is observed to perform better than all existing baselines. Additonally, We propose a set of submodular functions for opinion summarization. Opinion summarization has built in it the tasks of summarization and sentiment detection. However, it is not easy to detect sentiment and simultaneously extract summary. The two tasks conflict in the sense that the demand of compression may drop sentiment bearing sentences, and the demand of sentiment detection may bring in redundant sentences. However, using submodularity we show how to strike a balance between the two requirements. Our functions generate summaries such that there is good correlation between document sentiment and summary sentiment along with good ROUGE score. We also compare the performances of the proposed submodular functions.

This paper studies the scale and redshift variation of density and velocity distributions in self-gravitating collisionless dark matter flow by a halo-based non-projection approach. All particles are divided into halo and out-of-halo particles for redshift variation of distributions. Without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales r. We demonstrate that: i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade at a constant rate varepsilon_u; iii) On small scales, the even order moments of pairwise velocity Delta u_L follow a two-thirds law (-varepsilon_ur)^{2/3}, while the odd order moments follow a linear scaling langle(Delta u_L)^{2n+1}rangle=(2n+1)langle(Delta u_L)^{2n}ranglelangleDelta u_Lrangler; iv) The scale variation of the velocity distributions was studied for longitudinal velocities u_L or u_L^{'}, pairwise velocity (velocity difference) Delta u_L=u_L^{'}-u_L and velocity sum Sigma u_L=u^{'}_L+u_L. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; v) On small scales, u_L and Sigma u_L can be modeled by a X distribution to maximize the system entropy; vi) On large scales, Delta u_L and Sigma u_L can be modeled by a logistic or a X distribution; vii) the redshift variation of the velocity distributions follows the evolution of the X distribution involving a shape parameter alpha(z) decreasing with time.

In this paper we introduce the SCoRe (Submodular Combinatorial Representation Learning) framework, a novel approach in representation learning that addresses inter-class bias and intra-class variance. SCoRe provides a new combinatorial viewpoint to representation learning, by introducing a family of loss functions based on set-based submodular information measures. We develop two novel combinatorial formulations for loss functions, using the Total Information and Total Correlation, that naturally minimize intra-class variance and inter-class bias. Several commonly used metric/contrastive learning loss functions like supervised contrastive loss, orthogonal projection loss, and N-pairs loss, are all instances of SCoRe, thereby underlining the versatility and applicability of SCoRe in a broad spectrum of learning scenarios. Novel objectives in SCoRe naturally model class-imbalance with up to 7.6\% improvement in classification on CIFAR-10-LT, CIFAR-100-LT, MedMNIST, 2.1% on ImageNet-LT, and 19.4% in object detection on IDD and LVIS (v1.0), demonstrating its effectiveness over existing approaches.

Searches for stochastic gravitational-wave backgrounds using pulsar timing arrays look for correlations in the timing residuals induced by the background across the pulsars in the array. The correlation signature of an isotropic, unpolarized gravitational-wave background predicted by general relativity follows the so-called Hellings and Downs curve, which is a relatively simple function of the angle between a pair of Earth-pulsar baselines. In this paper, we give a pedagogical discussion of the Hellings and Downs curve for pulsar timing arrays, considering simpler analogous scenarios involving sound and electromagnetic waves. We calculate Hellings-and-Downs-type functions for these two scenarios and develop a framework suitable for doing more general correlation calculations.

Detecting a stochastic gravitational wave background, particularly radiation from individually unresolvable super-massive black hole binary systems, is one of the primary targets for Pulsar Timing Arrays. Increasingly more stringent upper limits are being set on these signals under the assumption that the background radiation is isotropic. However, some level of anisotropy may be present and the characterisation of the power at different angular scales carries important information. We show that the standard analysis for isotropic backgrounds can be generalised in a conceptually straightforward way to the case of generic anisotropic background radiation by decomposing the angular distribution of the gravitational wave power on the sky into multipole moments. We introduce the concept of generalised overlap reduction functions which characterise the effect of the anisotropy multipoles on the correlation of the timing residuals from the pulsars timed by a Pulsar Timing Array. In a search for a signal characterised by a generic anisotropy, the generalised overlap reduction functions play the role of the so-called Hellings and Downs curve used for isotropic radiation. We compute the generalised overlap reduction functions for a generic level of anisotropy and Pulsar Timing Array configuration. We also provide an order of magnitude estimate of the level of anisotropy that can be expected in the background generated by super-massive black hole binary systems.

Previous studies have found that PLM-based retrieval models exhibit a preference for LLM-generated content, assigning higher relevance scores to these documents even when their semantic quality is comparable to human-written ones. This phenomenon, known as source bias, threatens the sustainable development of the information access ecosystem. However, the underlying causes of source bias remain unexplored. In this paper, we explain the process of information retrieval with a causal graph and discover that PLM-based retrievers learn perplexity features for relevance estimation, causing source bias by ranking the documents with low perplexity higher. Theoretical analysis further reveals that the phenomenon stems from the positive correlation between the gradients of the loss functions in language modeling task and retrieval task. Based on the analysis, a causal-inspired inference-time debiasing method is proposed, called Causal Diagnosis and Correction (CDC). CDC first diagnoses the bias effect of the perplexity and then separates the bias effect from the overall estimated relevance score. Experimental results across three domains demonstrate the superior debiasing effectiveness of CDC, emphasizing the validity of our proposed explanatory framework. Source codes are available at https://github.com/WhyDwelledOnAi/Perplexity-Trap.

Differentially private learning algorithms inject noise into the learning process. While the most common private learning algorithm, DP-SGD, adds independent Gaussian noise in each iteration, recent work on matrix factorization mechanisms has shown empirically that introducing correlations in the noise can greatly improve their utility. We characterize the asymptotic learning utility for any choice of the correlation function, giving precise analytical bounds for linear regression and as the solution to a convex program for general convex functions. We show, using these bounds, how correlated noise provably improves upon vanilla DP-SGD as a function of problem parameters such as the effective dimension and condition number. Moreover, our analytical expression for the near-optimal correlation function circumvents the cubic complexity of the semi-definite program used to optimize the noise correlation matrix in previous work. We validate our theory with experiments on private deep learning. Our work matches or outperforms prior work while being efficient both in terms of compute and memory.

Brain Signals, such as Electroencephalography (EEG), and human languages have been widely explored independently for many downstream tasks, however, the connection between them has not been well explored. In this study, we explore the relationship and dependency between EEG and language. To study at the representation level, we introduced MTAM, a Multimodal Transformer Alignment Model, to observe coordinated representations between the two modalities. We used various relationship alignment-seeking techniques, such as Canonical Correlation Analysis and Wasserstein Distance, as loss functions to transfigure features. On downstream applications, sentiment analysis and relation detection, we achieved new state-of-the-art results on two datasets, ZuCo and K-EmoCon. Our method achieved an F1-score improvement of 1.7% on K-EmoCon and 9.3% on Zuco datasets for sentiment analysis, and 7.4% on ZuCo for relation detection. In addition, we provide interpretations of the performance improvement: (1) feature distribution shows the effectiveness of the alignment module for discovering and encoding the relationship between EEG and language; (2) alignment weights show the influence of different language semantics as well as EEG frequency features; (3) brain topographical maps provide an intuitive demonstration of the connectivity in the brain regions. Our code is available at https://github.com/Jason-Qiu/EEG_Language_Alignment.

We present a neural network emulator to constrain the thermal parameters of the intergalactic medium (IGM) at 5.4z6.0 using the Lyman-displaystylealpha (Lydisplaystylealpha) forest flux auto-correlation function. Our auto-differentiable JAX-based framework accelerates the surrogate model generation process using approximately 100 sparsely sampled Nyx hydrodynamical simulations with varying combinations of thermal parameters, i.e., the temperature at mean density T_{{0}}, the slope of the temperaturedisplaystyle-density relation displaystylegamma, and the mean transmission flux langle{F}{rangle}. We show that this emulator has a typical accuracy of 1.0% across the specified redshift range. Bayesian inference of the IGM thermal parameters, incorporating emulator uncertainty propagation, is further expedited using NumPyro Hamiltonian Monte Carlo. We compare both the inference results and computational cost of our framework with the traditional nearest-neighbor interpolation approach applied to the same set of mock Lyalpha flux. By examining the credibility contours of the marginalized posteriors for T_{{0}},gamma,and{langle}{F}{rangle} obtained using the emulator, the statistical reliability of measurements is established through inference on 100 realistic mock data sets of the auto-correlation function.

Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of the Schr\"odinger equation, practical applications rely on approximations to the unknown exchange-correlation (XC) functional. Most existing XC functionals are constructed using a limited set of increasingly complex, hand-crafted features that improve accuracy at the expense of computational efficiency. Yet, no current approximation achieves the accuracy and generality for predictive modeling of laboratory experiments at chemical accuracy -- typically defined as errors below 1 kcal/mol. In this work, we present Skala, a modern deep learning-based XC functional that bypasses expensive hand-designed features by learning representations directly from data. Skala achieves chemical accuracy for atomization energies of small molecules while retaining the computational efficiency typical of semi-local DFT. This performance is enabled by training on an unprecedented volume of high-accuracy reference data generated using computationally intensive wavefunction-based methods. Notably, Skala systematically improves with additional training data covering diverse chemistry. By incorporating a modest amount of additional high-accuracy data tailored to chemistry beyond atomization energies, Skala achieves accuracy competitive with the best-performing hybrid functionals across general main group chemistry, at the cost of semi-local DFT. As the training dataset continues to expand, Skala is poised to further enhance the predictive power of first-principles simulations.

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT; an endeavor with many open questions and technical challenges. In this work, we present Grad DFT: a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange-correlation energy functionals. Grad DFT employs a pioneering parametrization of exchange-correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, Grad DFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

We determine the 4-point correlation function and amplitude in planar, maximally supersymmetric Yang-Mills theory to 12 loops. We find that the recently-introduced 'double-triangle' rule in fact implies the previously described square and pentagon rules; and when applied to 12 loops, it fully determines the 11-loop correlator and fixes all but 3 of the (22,024,902) 12-loop coefficients; these remaining coefficients can be subsequently fixed using the '(single-)triangle' rule. Not only do we confirm the Catalan conjecture for anti-prism graphs, but we discover evidence for a greatly generalized Catalan conjecture for the coefficients of all polygon-framed fishnet graphs. We provide all contributions through 12 loops as ancillary files to this work.

A stochastic gravitational wave background causes the apparent positions of distant sources to fluctuate, with angular deflections of order the characteristic strain amplitude of the gravitational waves. These fluctuations may be detectable with high precision astrometry, as first suggested by Braginsky et al. in 1990. Several researchers have made order of magnitude estimates of the upper limits obtainable on the gravitational wave spectrum \Omega_gw(f), at frequencies of order f ~ 1 yr^-1, both for the future space-based optical interferometry missions GAIA and SIM, and for VLBI interferometry in radio wavelengths with the SKA. For GAIA, tracking N ~ 10^6 quasars over a time of T ~ 1 yr with an angular accuracy of \Delta \theta ~ 10 \mu as would yield a sensitivity level of \Omega_gw ~ (\Delta \theta)^2/(N T^2 H_0^2) ~ 10^-6, which would be comparable with pulsar timing. In this paper we take a first step toward firming up these estimates by computing in detail the statistical properties of the angular deflections caused by a stochastic background. We compute analytically the two point correlation function of the deflections on the sphere, and the spectrum as a function of frequency and angular scale. The fluctuations are concentrated at low frequencies (for a scale invariant stochastic background), and at large angular scales, starting with the quadrupole. The magnetic-type and electric-type pieces of the fluctuations have equal amounts of power.

This paper proposes to model chaos in the ATM cash withdrawal time series of a big Indian bank and forecast the withdrawals using deep learning methods. It also considers the importance of day-of-the-week and includes it as a dummy exogenous variable. We first modelled the chaos present in the withdrawal time series by reconstructing the state space of each series using the lag, and embedding dimension found using an auto-correlation function and Cao's method. This process converts the uni-variate time series into multi variate time series. The "day-of-the-week" is converted into seven features with the help of one-hot encoding. Then these seven features are augmented to the multivariate time series. For forecasting the future cash withdrawals, using algorithms namely ARIMA, random forest (RF), support vector regressor (SVR), multi-layer perceptron (MLP), group method of data handling (GMDH), general regression neural network (GRNN), long short term memory neural network and 1-dimensional convolutional neural network. We considered a daily cash withdrawals data set from an Indian commercial bank. After modelling chaos and adding exogenous features to the data set, we observed improvements in the forecasting for all models. Even though the random forest (RF) yielded better Symmetric Mean Absolute Percentage Error (SMAPE) value, deep learning algorithms, namely LSTM and 1D CNN, showed similar performance compared to RF, based on t-test.

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data. rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange-correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principle PIMC and DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions.

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often density matrices (DM), quantities that can convert into density matrices also qualify as alternative forms of initial guesses. Hence, existing works mostly rely on the prediction of the Hamiltonian matrix for obtaining high-quality initial guesses. However, the Hamiltonian matrix is both numerically difficult to predict and intrinsically non-transferable, hindering the application of such models in real scenarios. In light of this, we propose a method that constructs DFT initial guesses by predicting the electron density in a compact auxiliary basis representation using E(3)-equivariant neural networks. Trained on small molecules with up to 20 atoms, our model is able to achieve an average 33.3% self-consistent field (SCF) step reduction on systems up to 60 atoms, substantially outperforming Hamiltonian-centric and DM-centric models. Critically, this acceleration remains nearly constant with increasing system sizes and exhibits strong transferring behaviors across orbital basis sets and exchange-correlation (XC) functionals. To the best of our knowledge, this work represents the first and robust candidate for a universally transferable DFT acceleration method. We are also releasing the SCFbench dataset and its accompanying code to facilitate future research in this promising direction.

One tough problem of image inpainting is to restore complex structures in the corrupted regions. It motivates interactive image inpainting which leverages additional hints, e.g., sketches, to assist the inpainting process. Sketch is simple and intuitive to end users, but meanwhile has free forms with much randomness. Such randomness may confuse the inpainting models, and incur severe artifacts in completed images. To address this problem, we propose a two-stage image inpainting method termed SketchRefiner. In the first stage, we propose using a cross-correlation loss function to robustly calibrate and refine the user-provided sketches in a coarse-to-fine fashion. In the second stage, we learn to extract informative features from the abstracted sketches in the feature space and modulate the inpainting process. We also propose an algorithm to simulate real sketches automatically and build a test protocol with different applications. Experimental results on public datasets demonstrate that SketchRefiner effectively utilizes sketch information and eliminates the artifacts due to the free-form sketches. Our method consistently outperforms the state-of-the-art ones both qualitatively and quantitatively, meanwhile revealing great potential in real-world applications. Our code and dataset are available.

A proper code evaluation metric (CEM) profoundly impacts the evolution of code generation, which is an important research field in NLP and software engineering. Prevailing match-based CEMs (e.g., BLEU, Accuracy, and CodeBLEU) suffer from two significant drawbacks. 1. They primarily measure the surface differences between codes without considering their functional equivalence. However, functional equivalence is pivotal in evaluating the effectiveness of code generation, as different codes can perform identical operations. 2. They are predominantly designed for the Ref-only input format. However, code evaluation necessitates versatility in input formats. Aside from Ref-only, there are NL-only and Ref\&NL formats, which existing match-based CEMs cannot effectively accommodate. In this paper, we propose CodeScore, a large language model (LLM)-based CEM, which estimates the functional correctness of generated code on three input types. To acquire CodeScore, we present UniCE, a unified code generation learning framework, for LLMs to learn code execution (i.e., learning PassRatio and Executability of generated code) with unified input. Extensive experimental results on multiple code evaluation datasets demonstrate that CodeScore absolutely improves up to 58.87% correlation with functional correctness compared to other CEMs, achieves state-of-the-art performance, and effectively handles three input formats.

Large multimodal models (LMMs) have exhibited proficiencies across many visual tasks. Although numerous well-known benchmarks exist to evaluate model performance, they increasingly have insufficient headroom. As such, there is a pressing need for a new generation of benchmarks challenging enough for the next generation of LMMs. One area that LMMs show potential is graph analysis, specifically, the tasks an analyst might typically perform when interpreting figures such as estimating the mean, intercepts or correlations of functions and data series. In this work, we introduce GRAB, a graph analysis benchmark, fit for current and future frontier LMMs. Our benchmark is entirely synthetic, ensuring high-quality, noise-free questions. GRAB is comprised of 2170 questions, covering four tasks and 23 graph properties. We evaluate 20 LMMs on GRAB, finding it to be a challenging benchmark, with the highest performing model attaining a score of just 21.7%. Finally, we conduct various ablations to investigate where the models succeed and struggle. We release GRAB to encourage progress in this important, growing domain.

The independent atom ansatz of density functional theory yields an accurate analytical expression for dynamic correlation energy in the H_{2} molecule: E_{c} = 0.5(1 - 2)(ab|ba) for the atom-additive self-consistent density rho = |a|^{2} + |b|^{2}. Combined with exact atomic self-exchange, it recovers more than 99.5 % of nearly exact SCAN exchange-correlation energy at R > 0.5 A, differing by less than 0.12 eV. The total energy functional correctly dissociates the H-H bond and yields absolute errors of 0.002 A, 0.19 eV, and 13 cm^{-1} relative to experiment at the tight binding computational cost. The chemical bond formation is attributed to the asymptotic Heitler-London resonance of quasi-orthogonal atomic states (- (ab|ba)) with no contributions from kinetic energy or charge accumulation in the bond.

Although native speech and music envelope following responses (EFRs) play a crucial role in auditory processing and cognition, their frequency profile, such as the dominating frequency and spectral coherence, is largely unknown. We have assumed that the auditory pathway - which transmits envelope components of speech and music to the scalp through time-varying neurophysiological processes - is a linear time-varying system, with the envelope and the multi-channel EEG responses as excitation and response, respectively. This paper investigates the transfer function of this system through two analytical techniques - time-averaged spectral responses and cross-spectral density - in the frequency domain at four different positions of the human scalp. Our findings suggest that alpha (8-11 Hz), lower gamma (53-56 Hz), and higher gamma (78-81 Hz) bands are the peak responses of the system. These frequently appearing dominant frequency responses may be the key components of familiar speech perception, maintaining attention, binding acoustic features, and memory processing. The cross-spectral density, which reflects the spatial neural coherence of the human brain, shows that 10-13 Hz, 27-29 Hz, and 62-64 Hz are common for all channel pairs. As neural coherences are frequently observed in these frequencies among native participants, we suggest that these distributed neural processes are also dominant in native speech and music perception.

This article focuses on estimating relative transfer functions (RTFs) for beamforming applications. Traditional methods often assume that spectra are uncorrelated, an assumption that is often violated in practical scenarios due to factors such as time-domain windowing or the non-stationary nature of signals, as observed in speech. To overcome these limitations, we propose an RTF estimation technique that leverages spectral and spatial correlations through subspace analysis. Additionally, we derive Cram\'er--Rao bounds (CRBs) for the RTF estimation task, providing theoretical insights into the achievable estimation accuracy. These bounds reveal that channel estimation can be performed more accurately if the noise or the target signal exhibits spectral correlations. Experiments with both real and synthetic data show that our technique outperforms the narrowband maximum-likelihood estimator, known as covariance whitening (CW), when the target exhibits spectral correlations. Although the proposed algorithm generally achieves accuracy close to the theoretical bound, there is potential for further improvement, especially in scenarios with highly spectrally correlated noise. While channel estimation has various applications, we demonstrate the method using a minimum variance distortionless (MVDR) beamformer for multichannel speech enhancement. A free Python implementation is also provided.

Understanding and interpreting dynamics of functional materials in situ is a grand challenge in physics and materials science due to the difficulty of experimentally probing materials at varied length and time scales. X-ray photon correlation spectroscopy (XPCS) is uniquely well-suited for characterizing materials dynamics over wide-ranging time scales, however spatial and temporal heterogeneity in material behavior can make interpretation of experimental XPCS data difficult. In this work we have developed an unsupervised deep learning (DL) framework for automated classification and interpretation of relaxation dynamics from experimental data without requiring any prior physical knowledge of the system behavior. We demonstrate how this method can be used to rapidly explore large datasets to identify samples of interest, and we apply this approach to directly correlate bulk properties of a model system to microscopic dynamics. Importantly, this DL framework is material and process agnostic, marking a concrete step towards autonomous materials discovery.

Sparse Autoencoders (SAEs) have demonstrated significant promise in interpreting the hidden states of language models by decomposing them into interpretable latent directions. However, training SAEs at scale remains challenging, especially when large dictionary sizes are used. While decoders can leverage sparse-aware kernels for efficiency, encoders still require computationally intensive linear operations with large output dimensions. To address this, we propose KronSAE, a novel architecture that factorizes the latent representation via Kronecker product decomposition, drastically reducing memory and computational overhead. Furthermore, we introduce mAND, a differentiable activation function approximating the binary AND operation, which improves interpretability and performance in our factorized framework.

We explore the non-equilibrium dynamics of a one-dimensional Fermi-Hubbard system as a sensitive testbed for the capabilities of the time-dependent two-particle reduced density matrix (TD2RDM) theory to accurately describe time-dependent correlated systems. We follow the time evolution of the out-of-equilibrium finite-size Fermi-Hubbard model initialized by a quench over extended periods of time. By comparison with exact calculations for small systems and with matrix product state (MPS) calculations for larger systems but limited to short times, we demonstrate that the TD2RDM theory can accurately account for the non-equilibrium dynamics in the regime from weak to moderately strong inter-particle correlations. We find that the quality of the approximate reconstruction of the three-particle cumulant (or correlation) required for the closure of the equations of motion for the reduced density matrix is key to the accuracy of the numerical TD2RDM results. We identify the size of the dynamically induced three-particle correlations and the amplitude of cross correlations between the two- and three-particle cumulants as critical parameters that control the accuracy of the TD2RDM theory when current state-of-the art reconstruction functionals are employed.

Previous deep learning-based event denoising methods mostly suffer from poor interpretability and difficulty in real-time processing due to their complex architecture designs. In this paper, we propose window-based event denoising, which simultaneously deals with a stack of events while existing element-based denoising focuses on one event each time. Besides, we give the theoretical analysis based on probability distributions in both temporal and spatial domains to improve interpretability. In temporal domain, we use timestamp deviations between processing events and central event to judge the temporal correlation and filter out temporal-irrelevant events. In spatial domain, we choose maximum a posteriori (MAP) to discriminate real-world event and noise, and use the learned convolutional sparse coding to optimize the objective function. Based on the theoretical analysis, we build Temporal Window (TW) module and Soft Spatial Feature Embedding (SSFE) module to process temporal and spatial information separately, and construct a novel multi-scale window-based event denoising network, named MSDNet. The high denoising accuracy and fast running speed of our MSDNet enables us to achieve real-time denoising in complex scenes. Extensive experimental results verify the effectiveness and robustness of our MSDNet. Our algorithm can remove event noise effectively and efficiently and improve the performance of downstream tasks.

In multi-label emotion classification, particularly for low-resource languages like Arabic, the challenges of class imbalance and label correlation hinder model performance, especially in accurately predicting minority emotions. To address these issues, this study proposes a novel approach that combines stacked embeddings, meta-learning, and a hybrid loss function to enhance multi-label emotion classification for the Arabic language. The study extracts contextual embeddings from three fine-tuned language models-ArabicBERT, MarBERT, and AraBERT-which are then stacked to form enriched embeddings. A meta-learner is trained on these stacked embeddings, and the resulting concatenated representations are provided as input to a Bi-LSTM model, followed by a fully connected neural network for multi-label classification. To further improve performance, a hybrid loss function is introduced, incorporating class weighting, label correlation matrix, and contrastive learning, effectively addressing class imbalances and improving the handling of label correlations. Extensive experiments validate the proposed model's performance across key metrics such as Precision, Recall, F1-Score, Jaccard Accuracy, and Hamming Loss. The class-wise performance analysis demonstrates the hybrid loss function's ability to significantly reduce disparities between majority and minority classes, resulting in a more balanced emotion classification. An ablation study highlights the contribution of each component, showing the superiority of the model compared to baseline approaches and other loss functions. This study not only advances multi-label emotion classification for Arabic but also presents a generalizable framework that can be adapted to other languages and domains, providing a significant step forward in addressing the challenges of low-resource emotion classification tasks.

Multimodal Reward Models (MM-RMs) are crucial for aligning Large Language Models (LLMs) with human preferences, particularly as LLMs increasingly interact with multimodal data. However, we find that MM-RMs trained on existing datasets often struggle to generalize to out-of-distribution data due to their reliance on unimodal spurious correlations, primarily text-only shortcuts within the training distribution, which prevents them from leveraging true multimodal reward functions. To address this, we introduce a Shortcut-aware MM-RM learning algorithm that mitigates this issue by dynamically reweighting training samples, shifting the distribution toward better multimodal understanding, and reducing dependence on unimodal spurious correlations. Our experiments demonstrate significant improvements in generalization, downstream task performance, and scalability, establishing a more robust framework for multimodal reward modeling.

This paper concerns a long-range random walk in random environment in dimension 1+1, where the environmental disorder is independent in space but has long-range correlations in time. We prove that two types of rescaled partition functions converge weakly to the Stratonovich solution and the It\^o-Skorohod solution respectively of a fractional stochastic heat equation with multiplicative Gaussian noise which is white in space and colored in time.

This study presents a quantitative evaluation of the code quality and security of five prominent Large Language Models (LLMs): Claude Sonnet 4, Claude 3.7 Sonnet, GPT-4o, Llama 3.2 90B, and OpenCoder 8B. While prior research has assessed the functional performance of LLM-generated code, this research tested LLM output from 4,442 Java coding assignments through comprehensive static analysis using SonarQube. The findings suggest that although LLMs can generate functional code, they also introduce a range of software defects, including bugs, security vulnerabilities, and code smells. These defects do not appear to be isolated; rather, they may represent shared weaknesses stemming from systemic limitations within current LLM code generation methods. In particular, critically severe issues, such as hard-coded passwords and path traversal vulnerabilities, were observed across multiple models. These results indicate that LLM-generated code requires verification in order to be considered production-ready. This study found no direct correlation between a model's functional performance (measured by Pass@1 rate of unit tests) and the overall quality and security of its generated code, measured by the number of SonarQube issues in benchmark solutions that passed the functional tests. This suggests that functional benchmark performance score is not a good indicator of overall code quality and security. The goal of this study is not to rank LLM performance but to highlight that all evaluated models appear to share certain weaknesses. Consequently, these findings support the view that static analysis can be a valuable instrument for detecting latent defects and an important safeguard for organizations that deploy AI in software development.

Self-supervised learning (SSL) is rapidly closing the gap with supervised methods on large computer vision benchmarks. A successful approach to SSL is to learn embeddings which are invariant to distortions of the input sample. However, a recurring issue with this approach is the existence of trivial constant solutions. Most current methods avoid such solutions by careful implementation details. We propose an objective function that naturally avoids collapse by measuring the cross-correlation matrix between the outputs of two identical networks fed with distorted versions of a sample, and making it as close to the identity matrix as possible. This causes the embedding vectors of distorted versions of a sample to be similar, while minimizing the redundancy between the components of these vectors. The method is called Barlow Twins, owing to neuroscientist H. Barlow's redundancy-reduction principle applied to a pair of identical networks. Barlow Twins does not require large batches nor asymmetry between the network twins such as a predictor network, gradient stopping, or a moving average on the weight updates. Intriguingly it benefits from very high-dimensional output vectors. Barlow Twins outperforms previous methods on ImageNet for semi-supervised classification in the low-data regime, and is on par with current state of the art for ImageNet classification with a linear classifier head, and for transfer tasks of classification and object detection.

Fine-tuned vision-language models (VLMs) often capture spurious correlations between image features and textual attributes, resulting in degraded zero-shot performance at test time. Existing approaches for addressing spurious correlations (i) primarily operate at the global image-level rather than intervening directly on fine-grained image features and (ii) are predominantly designed for unimodal settings. In this work, we present RaVL, which takes a fine-grained perspective on VLM robustness by discovering and mitigating spurious correlations using local image features rather than operating at the global image level. Given a fine-tuned VLM, RaVL first discovers spurious correlations by leveraging a region-level clustering approach to identify precise image features contributing to zero-shot classification errors. Then, RaVL mitigates the identified spurious correlation with a novel region-aware loss function that enables the VLM to focus on relevant regions and ignore spurious relationships during fine-tuning. We evaluate RaVL on 654 VLMs with various model architectures, data domains, and learned spurious correlations. Our results show that RaVL accurately discovers (191% improvement over the closest baseline) and mitigates (8.2% improvement on worst-group image classification accuracy) spurious correlations. Qualitative evaluations on general-domain and medical-domain VLMs confirm our findings.

Since the rise of neural models of code that can generate long expressions and statements rather than a single next-token, one of the major problems has been reliably evaluating their generated output. In this paper, we propose CodeBERTScore: an automatic evaluation metric for code generation, which builds on BERTScore (Zhang et al., 2020). Instead of measuring exact token matching as BLEU, CodeBERTScore computes a soft similarity score between each token in the generated code and in the reference code, using the contextual encodings of large pretrained models. Further, instead of encoding only the generated tokens as in BERTScore, CodeBERTScore also encodes the programmatic context surrounding the generated code. We perform an extensive evaluation of CodeBERTScore across four programming languages. We find that CodeBERTScore achieves a higher correlation with human preference and with functional correctness than all existing metrics. That is, generated code that receives a higher score by CodeBERTScore is more likely to be preferred by humans, as well as to function correctly when executed. Finally, while CodeBERTScore can be used with a multilingual CodeBERT as its base model, we release five language-specific pretrained models to use with our publicly available code at https://github.com/neulab/code-bert-score . Our language-specific models have been downloaded more than 25,000 times from the Huggingface Hub.

We revisit the flat-sky approximation for evaluating the angular power spectra of projected random fields by retaining information about the correlations along the line of sight. With broad, overlapping radial window functions, these line-of-sight correlations are suppressed and are ignored in the Limber approximation. However, retaining the correlations is important for narrow window functions or unequal-time spectra but introduces significant computational difficulties due to the highly oscillatory nature of the integrands involved. We deal with the integral over line-of-sight wave-modes in the flat-sky approximation analytically, using the FFTlog expansion of the 3D power spectrum. This results in an efficient computational method, which is a substantial improvement compared to any full-sky approaches. We apply our results to galaxy clustering (with and without redshift-space distortions), CMB lensing and galaxy lensing observables. For clustering, we find excellent agreement with the full-sky results on large (percent-level agreement) and intermediate or small (subpercent agreement) scales, dramatically out-performing the Limber approximation for both wide and narrow window functions, and in equal- and unequal-time cases. In the case of lensing, we show on the full sky that the angular power spectrum of the convergence can be very well approximated by projecting the 3D Laplacian (rather than the correct angular Laplacian) of the gravitational potential, even on large scales. Combining this approximation with our flat-sky techniques provides an efficient and accurate evaluation of the CMB lensing angular power spectrum on all scales.

Attention Deficit Hyperactive Disorder (ADHD) is a common behavioral problem affecting children. In this work, we investigate the automatic classification of ADHD subjects using the resting state Functional Magnetic Resonance Imaging (fMRI) sequences of the brain. We show that the brain can be modeled as a functional network, and certain properties of the networks differ in ADHD subjects from control subjects. We compute the pairwise correlation of brain voxels' activity over the time frame of the experimental protocol which helps to model the function of a brain as a network. Different network features are computed for each of the voxels constructing the network. The concatenation of the network features of all the voxels in a brain serves as the feature vector. Feature vectors from a set of subjects are then used to train a PCA-LDA (principal component analysis-linear discriminant analysis) based classifier. We hypothesized that ADHD-related differences lie in some specific regions of the brain and using features only from those regions is sufficient to discriminate ADHD and control subjects. We propose a method to create a brain mask that includes the useful regions only and demonstrate that using the feature from the masked regions improves classification accuracy on the test data set. We train our classifier with 776 subjects and test on 171 subjects provided by The Neuro Bureau for the ADHD-200 challenge. We demonstrate the utility of graph-motif features, specifically the maps that represent the frequency of participation of voxels in network cycles of length 3. The best classification performance (69.59%) is achieved using 3-cycle map features with masking. Our proposed approach holds promise in being able to diagnose and understand the disorder.

This paper addresses a critical challenge in cybersecurity: the gap between vulnerability information represented by Common Vulnerabilities and Exposures (CVEs) and the resulting cyberattack actions. CVEs provide insights into vulnerabilities, but often lack details on potential threat actions (tactics, techniques, and procedures, or TTPs) within the ATT&CK framework. This gap hinders accurate CVE categorization and proactive countermeasure initiation. The paper introduces the TTPpredictor tool, which uses innovative techniques to analyze CVE descriptions and infer plausible TTP attacks resulting from CVE exploitation. TTPpredictor overcomes challenges posed by limited labeled data and semantic disparities between CVE and TTP descriptions. It initially extracts threat actions from unstructured cyber threat reports using Semantic Role Labeling (SRL) techniques. These actions, along with their contextual attributes, are correlated with MITRE's attack functionality classes. This automated correlation facilitates the creation of labeled data, essential for categorizing novel threat actions into threat functionality classes and TTPs. The paper presents an empirical assessment, demonstrating TTPpredictor's effectiveness with accuracy rates of approximately 98% and F1-scores ranging from 95% to 98% in precise CVE classification to ATT&CK techniques. TTPpredictor outperforms state-of-the-art language model tools like ChatGPT. Overall, this paper offers a robust solution for linking CVEs to potential attack techniques, enhancing cybersecurity practitioners' ability to proactively identify and mitigate threats.

JWST has now made it possible to probe the rest-frame optical line emission of high-redshift galaxies extending to z~9, and potentially beyond. To aid in the interpretation of these emerging constraints, in this work we explore predictions for [OIII] emission in high-redshift galaxies using the First Light and Reionisation Epoch Simulations (FLARES). We produce predictions for the [OIII] luminosity function, its correlation with the UV luminosity, and the distribution of equivalent widths (EWs). We also explore how the [OIII] EW correlates with physical properties including specific star formation rate, metallicity, and dust attenuation. Our predictions are largely consistent with recent observational constraints on the luminosity function, average equivalent widths, and line ratios. However, they fail to reproduce the observed tail of high-EW sources and the number density of extreme line emitters. Possibilities to explain these discrepancies include an additional source of ionising photons and/or greater stochasticity in star formation in the model or photometric scatter and/or bias in the observations. With JWST now rapidly building larger samples and a wider range of emission lines the answer to this remaining discrepancy should be available imminently.

In the task of reference-based image inpainting, an additional reference image is provided to restore a damaged target image to its original state. The advancement of diffusion models, particularly Stable Diffusion, allows for simple formulations in this task. However, existing diffusion-based methods often lack explicit constraints on the correlation between the reference and damaged images, resulting in lower faithfulness to the reference images in the inpainting results. In this work, we propose CorrFill, a training-free module designed to enhance the awareness of geometric correlations between the reference and target images. This enhancement is achieved by guiding the inpainting process with correspondence constraints estimated during inpainting, utilizing attention masking in self-attention layers and an objective function to update the input tensor according to the constraints. Experimental results demonstrate that CorrFill significantly enhances the performance of multiple baseline diffusion-based methods, including state-of-the-art approaches, by emphasizing faithfulness to the reference images.

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. The runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the widely-used Vina and Gnina scoring functions, and is more robust on computationally predicted structures. Code is available at https://github.com/bjing2016/scalar-fields.

Transformer-based image restoration methods in adverse weather have achieved significant progress. Most of them use self-attention along the channel dimension or within spatially fixed-range blocks to reduce computational load. However, such a compromise results in limitations in capturing long-range spatial features. Inspired by the observation that the weather-induced degradation factors mainly cause similar occlusion and brightness, in this work, we propose an efficient Histogram Transformer (Histoformer) for restoring images affected by adverse weather. It is powered by a mechanism dubbed histogram self-attention, which sorts and segments spatial features into intensity-based bins. Self-attention is then applied across bins or within each bin to selectively focus on spatial features of dynamic range and process similar degraded pixels of the long range together. To boost histogram self-attention, we present a dynamic-range convolution enabling conventional convolution to conduct operation over similar pixels rather than neighbor pixels. We also observe that the common pixel-wise losses neglect linear association and correlation between output and ground-truth. Thus, we propose to leverage the Pearson correlation coefficient as a loss function to enforce the recovered pixels following the identical order as ground-truth. Extensive experiments demonstrate the efficacy and superiority of our proposed method. We have released the codes in Github.

Diffusion models have shown promising ability in generating high-quality time series (TS) data. Despite the initial success, existing works mostly focus on the authenticity of data at the individual level, but pay less attention to preserving the population-level properties on the entire dataset. Such population-level properties include value distributions for each dimension and distributions of certain functional dependencies (e.g., cross-correlation, CC) between different dimensions. For instance, when generating house energy consumption TS data, the value distributions of the outside temperature and the kitchen temperature should be preserved, as well as the distribution of CC between them. Preserving such TS population-level properties is critical in maintaining the statistical insights of the datasets, mitigating model bias, and augmenting downstream tasks like TS prediction. Yet, it is often overlooked by existing models. Hence, data generated by existing models often bear distribution shifts from the original data. We propose Population-aware Diffusion for Time Series (PaD-TS), a new TS generation model that better preserves the population-level properties. The key novelties of PaD-TS include 1) a new training method explicitly incorporating TS population-level property preservation, and 2) a new dual-channel encoder model architecture that better captures the TS data structure. Empirical results in major benchmark datasets show that PaD-TS can improve the average CC distribution shift score between real and synthetic data by 5.9x while maintaining a performance comparable to state-of-the-art models on individual-level authenticity.

Spatial-temporal forecasting and imputation are important for real-world intelligent systems. Most existing methods are tailored for individual forecasting or imputation tasks but are not designed for both. Additionally, they are less effective for zero-shot and few-shot learning. While pre-trained language model (PLM) have exhibited strong pattern recognition and reasoning abilities across various tasks, including few-shot and zero-shot learning, their applications in spatial-temporal data understanding has been constrained by insufficient modeling of complex correlations such as the temporal correlations, spatial connectivity, non-pairwise and high-order spatial-temporal correlations within data. In this paper, we propose STD-PLM for understanding both spatial and temporal properties of Spatial-Temporal Data with PLM, which is capable of implementing both spatial-temporal forecasting and imputation tasks. STD-PLM understands spatial-temporal correlations via explicitly designed spatial and temporal tokenizers. Topology-aware node embeddings are designed for PLM to comprehend and exploit the topology structure of data in inductive manner. Furthermore, to mitigate the efficiency issues introduced by the PLM, we design a sandglass attention module (SGA) combined with a specific constrained loss function, which significantly improves the model's efficiency while ensuring performance. Extensive experiments demonstrate that STD-PLM exhibits competitive performance and generalization capabilities across the forecasting and imputation tasks on various datasets. Moreover, STD-PLM achieves promising results on both few-shot and zero-shot tasks.The code is made available at https://anonymous.4open.science/r/STD-PLM-F3BA{https://anonymous.4open.science/r/STD-PLM-F3BA}

We present a speaker-aware approach for simulating multi-speaker conversations that captures temporal consistency and realistic turn-taking dynamics. Prior work typically models aggregate conversational statistics under an independence assumption across speakers and turns. In contrast, our method uses speaker-specific deviation distributions enforcing intra-speaker temporal consistency, while a Markov chain governs turn-taking and a fixed room impulse response preserves spatial realism. We also unify pauses and overlaps into a single gap distribution, modeled with kernel density estimation for smooth continuity. Evaluation on Switchboard using intrinsic metrics - global gap statistics, correlations between consecutive gaps, copula-based higher-order dependencies, turn-taking entropy, and gap survival functions - shows that speaker-aware simulation better aligns with real conversational patterns than the baseline method, capturing fine-grained temporal dependencies and realistic speaker alternation, while revealing open challenges in modeling long-range conversational structure.

Addressing imbalanced or long-tailed data is a major challenge in visual recognition tasks due to disparities between training and testing distributions and issues with data noise. We propose the Wrapped Cauchy Distributed Angular Softmax (WCDAS), a novel softmax function that incorporates data-wise Gaussian-based kernels into the angular correlation between feature representations and classifier weights, effectively mitigating noise and sparse sampling concerns. The class-wise distribution of angular representation becomes a sum of these kernels. Our theoretical analysis reveals that the wrapped Cauchy distribution excels the Gaussian distribution in approximating mixed distributions. Additionally, WCDAS uses trainable concentration parameters to dynamically adjust the compactness and margin of each class. Empirical results confirm label-aware behavior in these parameters and demonstrate WCDAS's superiority over other state-of-the-art softmax-based methods in handling long-tailed visual recognition across multiple benchmark datasets. The code is public available.

Deep neural networks have a clear degradation when applying to the unseen environment due to the covariate shift. Conventional approaches like domain adaptation requires the pre-collected target data for iterative training, which is impractical in real-world applications. In this paper, we propose to adapt the deep models to the novel environment during inference. An previous solution is test time normalization, which substitutes the source statistics in BN layers with the target batch statistics. However, we show that test time normalization may potentially deteriorate the discriminative structures due to the mismatch between target batch statistics and source parameters. To this end, we present a general formulation alpha-BN to calibrate the batch statistics by mixing up the source and target statistics for both alleviating the domain shift and preserving the discriminative structures. Based on alpha-BN, we further present a novel loss function to form a unified test time adaptation framework Core, which performs the pairwise class correlation online optimization. Extensive experiments show that our approaches achieve the state-of-the-art performance on total twelve datasets from three topics, including model robustness to corruptions, domain generalization on image classification and semantic segmentation. Particularly, our alpha-BN improves 28.4\% to 43.9\% on GTA5 rightarrow Cityscapes without any training, even outperforms the latest source-free domain adaptation method.

With the availability of large-scale video datasets and the advances of diffusion models, text-driven video generation has achieved substantial progress. However, existing video generation models are typically trained on a limited number of frames, resulting in the inability to generate high-fidelity long videos during inference. Furthermore, these models only support single-text conditions, whereas real-life scenarios often require multi-text conditions as the video content changes over time. To tackle these challenges, this study explores the potential of extending the text-driven capability to generate longer videos conditioned on multiple texts. 1) We first analyze the impact of initial noise in video diffusion models. Then building upon the observation of noise, we propose FreeNoise, a tuning-free and time-efficient paradigm to enhance the generative capabilities of pretrained video diffusion models while preserving content consistency. Specifically, instead of initializing noises for all frames, we reschedule a sequence of noises for long-range correlation and perform temporal attention over them by window-based function. 2) Additionally, we design a novel motion injection method to support the generation of videos conditioned on multiple text prompts. Extensive experiments validate the superiority of our paradigm in extending the generative capabilities of video diffusion models. It is noteworthy that compared with the previous best-performing method which brought about 255% extra time cost, our method incurs only negligible time cost of approximately 17%. Generated video samples are available at our website: http://haonanqiu.com/projects/FreeNoise.html.

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate protein using structural and evolutionary guidance, which only provide indirect conditions concerning functions and properties. However, textual annotations of proteins, especially the annotations for protein domains, which directly describe the protein's high-level functionalities, properties, and their correlation with target amino acid sequences, remain unexplored in the context of protein design tasks. In this paper, we propose Protein-Annotation Alignment Generation, PAAG, a multi-modality protein design framework that integrates the textual annotations extracted from protein database for controllable generation in sequence space. Specifically, within a multi-level alignment module, PAAG can explicitly generate proteins containing specific domains conditioned on the corresponding domain annotations, and can even design novel proteins with flexible combinations of different kinds of annotations. Our experimental results underscore the superiority of the aligned protein representations from PAAG over 7 prediction tasks. Furthermore, PAAG demonstrates a significant increase in generation success rate (24.7% vs 4.7% in zinc finger, and 54.3% vs 22.0% in the immunoglobulin domain) in comparison to the existing model. We anticipate that PAAG will broaden the horizons of protein design by leveraging the knowledge from between textual annotation and proteins.

In this paper cum technical report, we present PHUDGE A fine tuned Phi3 model that achieved SOTA results in 4 tasks as Feedback Test, Feedback OOD, MT Human, Preference Test surpassing each and every existing model in latency and throughput. It shows very strong correlation not only with GPT4 but with Human annotators too in unseen data as well as in both absolute and relative grading tasks. We have not only addressed the usage of small LMs for cost effective production grade systems but have also shown that Causal modelling is not only slow in nature but sometimes it can hinder models learning capabilities and should be replaced by simpler tasks whenever we can to make the overall system faster and better. We show that by following systematic ML experimentation, thoughtful data augmentation and re purposing the problem itself, we can even beat 10x bigger models even with lesser training data. To the best of our knowledge, we are re the first one to experiment and showcase the usage of generalised version of Earth Movers Distance AKA Wasserstein distance by using Minkowski Distance with a penalty to control loss smoothing and can be used as a loss function instead of Cross Entropy to get stable training and better results for grading tasks.

Multi-subject fMRI studies are challenging due to the high variability of both brain anatomy and functional brain topographies across participants. An effective way of aggregating multi-subject fMRI data is to extract a shared representation that filters out unwanted variability among subjects. Some recent work has implemented probabilistic models to extract a shared representation in task fMRI. In the present work, we improve upon these models by incorporating temporal information in the common latent structures. We introduce a new model, Shared Gaussian Process Factor Analysis (S-GPFA), that discovers shared latent trajectories and subject-specific functional topographies, while modelling temporal correlation in fMRI data. We demonstrate the efficacy of our model in revealing ground truth latent structures using simulated data, and replicate experimental performance of time-segment matching and inter-subject similarity on the publicly available Raider and Sherlock datasets. We further test the utility of our model by analyzing its learned model parameters in the large multi-site SPINS dataset, on a social cognition task from participants with and without schizophrenia.

Recent text-to-image diffusion models excel at generating high-resolution images from text but struggle with precise control over spatial composition and object counting. To address these challenges, several studies developed layout-to-image (L2I) approaches that incorporate layout instructions into text-to-image models. However, existing L2I methods typically require either fine-tuning pretrained parameters or training additional control modules for the diffusion models. In this work, we propose a novel zero-shot L2I approach, BACON (Boundary Attention Constrained generation), which eliminates the need for additional modules or fine-tuning. Specifically, we use text-visual cross-attention feature maps to quantify inconsistencies between the layout of the generated images and the provided instructions, and then compute loss functions to optimize latent features during the diffusion reverse process. To enhance spatial controllability and mitigate semantic failures in complex layout instructions, we leverage pixel-to-pixel correlations in the self-attention feature maps to align cross-attention maps and combine three loss functions constrained by boundary attention to update latent features. Comprehensive experimental results on both L2I and non-L2I pretrained diffusion models demonstrate that our method outperforms existing zero-shot L2I techniuqes both quantitatively and qualitatively in terms of image composition on the DrawBench and HRS benchmarks.

Large Language Models (LLMs) have demonstrated impressive real-world utility, exemplifying artificial useful intelligence (AUI). However, their ability to reason adaptively and robustly -- the hallmarks of artificial general intelligence (AGI) -- remains fragile. While LLMs seemingly succeed in commonsense reasoning, programming, and mathematics, they struggle to generalize algorithmic understanding across novel contexts. Our experiments with algorithmic tasks in esoteric programming languages reveal that LLM's reasoning overfits to the training data and is limited in its transferability. We hypothesize that the core issue underlying such limited transferability is the coupling of reasoning and knowledge in LLMs. To transition from AUI to AGI, we propose disentangling knowledge and reasoning through three key directions: (1) pretaining to reason using RL from scratch as an alternative to the widely used next-token prediction pretraining, (2) using a curriculum of synthetic tasks to ease the learning of a reasoning prior for RL that can then be transferred to natural language tasks, and (3) learning more generalizable reasoning functions using a small context window to reduce exploiting spurious correlations between tokens. Such a reasoning system coupled with a trained retrieval system and a large external memory bank as a knowledge store can overcome several limitations of existing architectures at learning to reason in novel scenarios.