Daily Papers

We propose a mass-dependent MOM scheme to renormalize UV divergence of unpolarized PDFs at one-loop order. This approach which is based on a once subtracted dispersion relation does not need any regulator. The overall counterterms are obtained from the imaginary part of large transverse momentum region in loop integrals. The mass-dependent characteristic of the scheme yields to mass-dependent splitting functions for the DGLAP evolution equations. While the flavor number is fixed at any renormalization scale, the decoupling theorem is automatically imposed by the mass-dependent splitting functions. The required symmetries are also automatically respected by our prescription.

We present the photometric properties of galaxies in the First Light and Reionisation Epoch Simulations (FLARES). The simulations trace the evolution of galaxies in a range of overdensities through the Epoch of Reionistion (EoR). With a novel weighting scheme we combine these overdensities, extending significantly the dynamic range of observed composite distribution functions compared to periodic simulation boxes. FLARES predicts a significantly larger number of intrinsically bright galaxies, which can be explained through a simple model linking dust-attenuation to the metal content of the interstellar medium, using a line-of-sight (LOS) extinction model. With this model we present the photometric properties of the FLARES galaxies for z in [5,10]. We show that the ultraviolet (UV) luminosity function (LF) matches the observations at all redshifts. The function is fit by Schechter and double power-law forms, with the latter being favoured at these redshifts by the FLARES composite UV LF. We also present predictions for the UV continuum slope as well as the attenuation in the UV. The impact of environment on the UV LF is also explored, with the brightest galaxies forming in the densest environments. We then present the line luminosity and equivalent widths of some prominent nebular emission lines arising from the galaxies, finding rough agreement with available observations. We also look at the relative contribution of obscured and unobscured star formation, finding comparable contributions at these redshifts.

We use the First Light And Reionisation Epoch Simulations (FLARES) to study the evolution of the rest-frame ultraviolet (UV) and far-infrared (FIR) sizes for a statistical sample of massive (gtrsim10^{9}M_{odot}) high redshift galaxies (z in [5,10]). Galaxies are post-processed using the SKIRT radiative transfer code, to self-consistently obtain the full spectral energy distribution and surface brightness distribution. We create mock observations of the galaxies for the Near Infrared Camera (NIRCam) to study the rest-frame UV 1500 xC5 morphology. We also generate mock rest-frame FIR (50 mum) photometry and mock ALMA (158 mum) (0.01"-0.03" and approx0.3" angular resolution) observations to study the dust-continuum. We find the effect of dust on observed sizes reduces with increasing wavelength from the UV to optical (sim0.6 times the UV at 0.4mum), with no evolution in FIR sizes. Observed sizes vary within 0.4-1.2 times the intrinsic sizes at different signal to noise ratios (SNR = 5-20) across redshifts. The effect of PSF and noise makes bright structures prominent, whereas fainter regions blend with noise, leading to an underestimation (factor of 0.4-0.8) of sizes at SNR=5. At SNR=15-20, the underestimation reduces (factor of 0.6-0.9) at z=5-8 but due to PSF, at z=9-10, bright cores are dominant, resulting in an overestimation (factor of 1.0-1.2). For ALMA, low resolution sizes are effected by noise which acts as extended emission. The size evolution in UV broadly agrees with current observational samples and other simulations. This work is one of the first to analyse the panchromatic sizes of a statistically significant sample of simulated high-redshift galaxies, complementing a growing body of research highlighting the importance of conducting an equivalent comparison between observed galaxies and their simulated counterparts in the early Universe.

Using the First Light And Reionisation Epoch Simulations ({rm F{small LARES}}), a suite of hydrodynamical simulations we explore the consequences of a realistic model for star--dust geometry on the observed properties of galaxies. We find that the UV attenuation declines rapidly from the central regions of galaxies, and bright galaxies have spatially extended star formation that suffers less obscuration than their fainter counterparts, demonstrating a non-linear relationship between the UV luminosity and the UV attenuation, giving a double power-law shape to the UVLF. Spatially distinct stellar populations within galaxies experience a wide range of dust attenuation due to variations in the dust optical depth along their line-of-sight; which can range from completely dust obscured to being fully unobscured. The overall attenuation curve of a galaxy is then a complex combination of various lines-of-sight within the galaxy. We explore the manifestation of this effect to study the reliability of line ratios to infer galaxy properties, in particular the Balmer decrement and the BPT diagram. We find the Balmer decrement predicted Balmer line attenuation to be higher (factor of 1 to gtrsim10) than expected from commonly used attenuation curves. The observed BPT line ratios deviate from their intrinsic values (median difference of 0.08 (0.02) and standard deviation of 0.2 (0.05) for log_{10}([N{small II}]lambda 6585/H_{alpha}) (log_{10}([O{small III}]lambda 5008/H_{beta})). Finally, we explore the variation in observed properties (UV attenuation, UV slope and Balmer decrement) with viewing angle, finding average differences of sim0.3 magnitudes in the UV attenuation.

Recently, a series of papers proposed deep learning-based approaches to sample from unnormalized target densities using controlled diffusion processes. In this work, we identify these approaches as special cases of the Schr\"odinger bridge problem, seeking the most likely stochastic evolution between a given prior distribution and the specified target. We further generalize this framework by introducing a variational formulation based on divergences between path space measures of time-reversed diffusion processes. This abstract perspective leads to practical losses that can be optimized by gradient-based algorithms and includes previous objectives as special cases. At the same time, it allows us to consider divergences other than the reverse Kullback-Leibler divergence that is known to suffer from mode collapse. In particular, we propose the so-called log-variance loss, which exhibits favorable numerical properties and leads to significantly improved performance across all considered approaches.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

As major progress is made in open-ended text generation, measuring how close machine-generated text is to human language remains a critical open problem. We introduce MAUVE, a comparison measure for open-ended text generation, which directly compares the learnt distribution from a text generation model to the distribution of human-written text using divergence frontiers. MAUVE scales up to modern text generation models by computing information divergences in a quantized embedding space. Through an extensive empirical study on three open-ended generation tasks, we find that MAUVE identifies known properties of generated text, scales naturally with model size, and correlates with human judgments, with fewer restrictions than existing distributional evaluation metrics.

For many evaluation metrics commonly used as benchmarks for unconditional image generation, trivially memorizing the training set attains a better score than models which are considered state-of-the-art; we consider this problematic. We clarify a necessary condition for an evaluation metric not to behave this way: estimating the function must require a large sample from the model. In search of such a metric, we turn to neural network divergences (NNDs), which are defined in terms of a neural network trained to distinguish between distributions. The resulting benchmarks cannot be "won" by training set memorization, while still being perceptually correlated and computable only from samples. We survey past work on using NNDs for evaluation and implement an example black-box metric based on these ideas. Through experimental validation we show that it can effectively measure diversity, sample quality, and generalization.

Large language models (LLMs) have shown remarkable capabilities in code generation. However, the effects of hallucinations (e.g., output noise) make it particularly challenging for LLMs to generate high-quality code in one pass. In this work, we propose a simple and effective uncertainty-aware selective contrastive decoding (USCD) mechanism to improve the quality of one-pass code generation in LLMs and reduce the impact of output noise. To be specific, we first elaborately designed a negative prompt (namely lame prompt) to output noise by removing input-output examples from the standard few-shot prompt. Our preliminary study shows that the Jensen-Shannon divergence (JS divergence) between token distribution uncertainty and the output noise is relatively low (approximately 0.25), indicating their high relevance. Then, we selectively eliminate output noise induced by lame prompts based on the uncertainty of the prediction distribution from the standard prompt. Notably, our proposed plug-and-play mechanism is an inference-only method, enjoying appealing flexibility. Extensive experiments on widely used benchmarks, e.g., HumanEval, MBPP, and MultiPL-E, upon several LLMs (i.e., Inocder-6b, CodeLlama-7b, WizardCoder-15b, StarCoder, and Llama2-7b), demonstrate that our proposed USCD significantly improves one-pass code generation, with an average pass@1 scores increase of 16.59\%. We will release code and data on GitHub.

Unsupervised anomaly detection (UAD) is a widely adopted approach in industry due to rare anomaly occurrences and data imbalance. A desirable characteristic of an UAD model is contained generalization ability which excels in the reconstruction of seen normal patterns but struggles with unseen anomalies. Recent studies have pursued to contain the generalization capability of their UAD models in reconstruction from different perspectives, such as design of neural network (NN) structure and training strategy. In contrast, we note that containing of generalization ability in reconstruction can also be obtained simply from steep-shaped loss landscape. Motivated by this, we propose a loss landscape sharpening method by amplifying the reconstruction loss, dubbed Loss AMPlification (LAMP). LAMP deforms the loss landscape into a steep shape so the reconstruction error on unseen anomalies becomes greater. Accordingly, the anomaly detection performance is improved without any change of the NN architecture. Our findings suggest that LAMP can be easily applied to any reconstruction error metrics in UAD settings where the reconstruction model is trained with anomaly-free samples only.

Generative AI has matured to a point where large-scale models can generate text that seems indistinguishable from human-written text and remarkably photorealistic images. Automatically measuring how close the distribution of generated data is to the target real data distribution is a key step in diagnosing existing models and developing better models. We present MAUVE, a family of comparison measures between pairs of distributions such as those encountered in the generative modeling of text or images. These scores are statistical summaries of divergence frontiers capturing two types of errors in generative modeling. We explore four approaches to statistically estimate these scores: vector quantization, non-parametric estimation, classifier-based estimation, and parametric Gaussian approximations. We provide statistical bounds for the vector quantization approach. Empirically, we find that the proposed scores paired with a range of f-divergences and statistical estimation methods can quantify the gaps between the distributions of human-written text and those of modern neural language models by correlating with human judgments and identifying known properties of the generated texts. We conclude the paper by demonstrating its applications to other AI domains and discussing practical recommendations.

We propose a gradient flow procedure for generative modeling by transporting particles from an initial source distribution to a target distribution, where the gradient field on the particles is given by a noise-adaptive Wasserstein Gradient of the Maximum Mean Discrepancy (MMD). The noise-adaptive MMD is trained on data distributions corrupted by increasing levels of noise, obtained via a forward diffusion process, as commonly used in denoising diffusion probabilistic models. The result is a generalization of MMD Gradient Flow, which we call Diffusion-MMD-Gradient Flow or DMMD. The divergence training procedure is related to discriminator training in Generative Adversarial Networks (GAN), but does not require adversarial training. We obtain competitive empirical performance in unconditional image generation on CIFAR10, MNIST, CELEB-A (64 x64) and LSUN Church (64 x 64). Furthermore, we demonstrate the validity of the approach when MMD is replaced by a lower bound on the KL divergence.

Variational Autoencoders (VAEs) have become a cornerstone in generative modeling and representation learning within machine learning. This paper explores a nuanced aspect of VAEs, focusing on interpreting the Kullback-Leibler (KL) Divergence, a critical component within the Evidence Lower Bound (ELBO) that governs the trade-off between reconstruction accuracy and regularization. Meanwhile, the KL Divergence enforces alignment between latent variable distributions and a prior imposing a structure on the overall latent space but leaves individual variable distributions unconstrained. The proposed method redefines the ELBO with a mixture of Gaussians for the posterior probability, introduces a regularization term to prevent variance collapse, and employs a PatchGAN discriminator to enhance texture realism. Implementation details involve ResNetV2 architectures for both the Encoder and Decoder. The experiments demonstrate the ability to generate realistic faces, offering a promising solution for enhancing VAE-based generative models.

We rigorously quantify the improvement in the sample complexity of variational divergence estimations for group-invariant distributions. In the cases of the Wasserstein-1 metric and the Lipschitz-regularized alpha-divergences, the reduction of sample complexity is proportional to an ambient-dimension-dependent power of the group size. For the maximum mean discrepancy (MMD), the improvement of sample complexity is more nuanced, as it depends on not only the group size but also the choice of kernel. Numerical simulations verify our theories.

Neural network training is inherently sensitive to initialization and the randomness induced by stochastic gradient descent. However, it is unclear to what extent such effects lead to meaningfully different networks, either in terms of the models' weights or the underlying functions that were learned. In this work, we show that during the initial "chaotic" phase of training, even extremely small perturbations reliably causes otherwise identical training trajectories to diverge-an effect that diminishes rapidly over training time. We quantify this divergence through (i) L^2 distance between parameters, (ii) the loss barrier when interpolating between networks, (iii) L^2 and barrier between parameters after permutation alignment, and (iv) representational similarity between intermediate activations; revealing how perturbations across different hyperparameter or fine-tuning settings drive training trajectories toward distinct loss minima. Our findings provide insights into neural network training stability, with practical implications for fine-tuning, model merging, and diversity of model ensembles.

In this work, we focus on synthesizing high-quality textures on 3D meshes. We present Point-UV diffusion, a coarse-to-fine pipeline that marries the denoising diffusion model with UV mapping to generate 3D consistent and high-quality texture images in UV space. We start with introducing a point diffusion model to synthesize low-frequency texture components with our tailored style guidance to tackle the biased color distribution. The derived coarse texture offers global consistency and serves as a condition for the subsequent UV diffusion stage, aiding in regularizing the model to generate a 3D consistent UV texture image. Then, a UV diffusion model with hybrid conditions is developed to enhance the texture fidelity in the 2D UV space. Our method can process meshes of any genus, generating diversified, geometry-compatible, and high-fidelity textures. Code is available at https://cvmi-lab.github.io/Point-UV-Diffusion

In this paper we address the problem of artist style transfer where the painting style of a given artist is applied on a real world photograph. We train our neural networks in adversarial setting via recently introduced quadratic potential divergence for stable learning process. To further improve the quality of generated artist stylized images we also integrate some of the recently introduced deep learning techniques in our method. To our best knowledge this is the first attempt towards artist style transfer via quadratic potential divergence. We provide some stylized image samples in the supplementary material. The source code for experimentation was written in PyTorch and is available online in my GitHub repository.

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.

We use NIRSpec MSA spectroscopy and NIRCam Photometry to explore the properties of JADES-GS8-RL-1, a rapidly quenched, z=8.5 galaxy with a stellar mass of 10^{8.9}M_odot, a steep blue UV slope, a Balmer break, and no sign of strong emission lines. With a beta_{UV}=-2.8pm 0.2, as measured from the NIRSpec spectrum, JADES-GS8-RL-1 is consistent with negligible dust attenuation and little to no contribution from the nebular continuum alongside a probable high escape fraction. The beta_{UV} slope measured from photometry varies from -3.0 in the central regions to -2.2 at the outskirts suggesting possible regional differences in the escape fraction. There are no high-ionisation emission lines, only a tentative 2.9\sig detection of [OII]. Using photometry, this emission appears to be extended, possibly corresponding to weakly ionised gas expelled during or after the quenching process. JADES-GS8-RL-1 is spatially resolved with a half-light radius of 240 pc and has an exponential, disc-like morphology. It appears to have formed all its stars in a short burst within the past 100 Myr with a formation time of approx70 Myr and a quenching time of approx30 Myr. This quenching would have occurred rapidly, making it a more distant example of the kind of low-mass "mini-quenched" galaxies previously observed at high-z. Due to the extremely blue beta_{UV} slope, our best-fit model predicts a high value for \fesc of >10\%, consistent with the value derived from the beta_{UV} slope, which when combined with our extraordinarily low O32 upper limit suggests JADES-GS8-RL-1 is a fascinating example of a high-z "remnant leaker" in one of its earliest phases, deep in the epoch of reionisation.

We propose a direct estimation method for R\'{e}nyi and f-divergence measures based on a new graph theoretical interpretation. Suppose that we are given two sample sets X and Y, respectively with N and M samples, where eta:=M/N is a constant value. Considering the k-nearest neighbor (k-NN) graph of Y in the joint data set (X,Y), we show that the average powered ratio of the number of X points to the number of Y points among all k-NN points is proportional to R\'{e}nyi divergence of X and Y densities. A similar method can also be used to estimate f-divergence measures. We derive bias and variance rates, and show that for the class of gamma-H\"{o}lder smooth functions, the estimator achieves the MSE rate of O(N^{-2gamma/(gamma+d)}). Furthermore, by using a weighted ensemble estimation technique, for density functions with continuous and bounded derivatives of up to the order d, and some extra conditions at the support set boundary, we derive an ensemble estimator that achieves the parametric MSE rate of O(1/N). Our estimators are more computationally tractable than other competing estimators, which makes them appealing in many practical applications.

Effective cross-modal retrieval requires robust alignment of heterogeneous data types. Most existing methods focus on bi-modal retrieval tasks and rely on distributional alignment techniques such as Kullback-Leibler divergence, Maximum Mean Discrepancy, and correlation alignment. However, these methods often suffer from critical limitations, including numerical instability, sensitivity to hyperparameters, and their inability to capture the full structure of the underlying distributions. In this paper, we introduce the Cauchy-Schwarz (CS) divergence, a hyperparameter-free measure that improves both training stability and retrieval performance. We further propose a novel Generalized CS (GCS) divergence inspired by H\"older's inequality. This extension enables direct alignment of three or more modalities within a unified mathematical framework through a bidirectional circular comparison scheme, eliminating the need for exhaustive pairwise comparisons. Extensive experiments on six benchmark datasets demonstrate the effectiveness of our method in both bi-modal and tri-modal retrieval tasks. The code of our CS/GCS divergence is publicly available at https://github.com/JiahaoZhang666/CSD.

Ensuring equitable treatment (fairness) across protected attributes (such as gender or ethnicity) is a critical issue in machine learning. Most existing literature focuses on binary classification, but achieving fairness in regression tasks-such as insurance pricing or hiring score assessments-is equally important. Moreover, anti-discrimination laws also apply to continuous attributes, such as age, for which many existing methods are not applicable. In practice, multiple protected attributes can exist simultaneously; however, methods targeting fairness across several attributes often overlook so-called "fairness gerrymandering", thereby ignoring disparities among intersectional subgroups (e.g., African-American women or Hispanic men). In this paper, we propose a distance covariance regularisation framework that mitigates the association between model predictions and protected attributes, in line with the fairness definition of demographic parity, and that captures both linear and nonlinear dependencies. To enhance applicability in the presence of multiple protected attributes, we extend our framework by incorporating two multivariate dependence measures based on distance covariance: the previously proposed joint distance covariance (JdCov) and our novel concatenated distance covariance (CCdCov), which effectively address fairness gerrymandering in both regression and classification tasks involving protected attributes of various types. We discuss and illustrate how to calibrate regularisation strength, including a method based on Jensen-Shannon divergence, which quantifies dissimilarities in prediction distributions across groups. We apply our framework to the COMPAS recidivism dataset and a large motor insurance claims dataset.

Generative adversial network (GAN) is a type of generative model that maps a high-dimensional noise to samples in target distribution. However, the dimension of noise required in GAN is not well understood. Previous approaches view GAN as a mapping from a continuous distribution to another continous distribution. In this paper, we propose to view GAN as a discrete sampler instead. From this perspective, we build a connection between the minimum noise required and the bits to losslessly compress the images. Furthermore, to understand the behaviour of GAN when noise dimension is limited, we propose divergence-entropy trade-off. This trade-off depicts the best divergence we can achieve when noise is limited. And as rate distortion trade-off, it can be numerically solved when source distribution is known. Finally, we verifies our theory with experiments on image generation.

We present Mantis Shrimp, a multi-survey deep learning model for photometric redshift estimation that fuses ultra-violet (GALEX), optical (PanSTARRS), and infrared (UnWISE) imagery. Machine learning is now an established approach for photometric redshift estimation, with generally acknowledged higher performance in areas with a high density of spectroscopically identified galaxies over template-based methods. Multiple works have shown that image-based convolutional neural networks can outperform tabular-based color/magnitude models. In comparison to tabular models, image models have additional design complexities: it is largely unknown how to fuse inputs from different instruments which have different resolutions or noise properties. The Mantis Shrimp model estimates the conditional density estimate of redshift using cutout images. The density estimates are well calibrated and the point estimates perform well in the distribution of available spectroscopically confirmed galaxies with (bias = 1e-2), scatter (NMAD = 2.44e-2) and catastrophic outlier rate (eta=17.53%). We find that early fusion approaches (e.g., resampling and stacking images from different instruments) match the performance of late fusion approaches (e.g., concatenating latent space representations), so that the design choice ultimately is left to the user. Finally, we study how the models learn to use information across bands, finding evidence that our models successfully incorporates information from all surveys. The applicability of our model to the analysis of large populations of galaxies is limited by the speed of downloading cutouts from external servers; however, our model could be useful in smaller studies such as generating priors over redshift for stellar population synthesis.

We present a faster algorithm to generate a warm start for sampling an arbitrary logconcave density specified by an evaluation oracle, leading to the first sub-cubic sampling algorithms for inputs in (near-)isotropic position. A long line of prior work incurred a warm-start penalty of at least linear in the dimension, hitting a cubic barrier, even for the special case of uniform sampling from convex bodies. Our improvement relies on two key ingredients of independent interest. (1) We show how to sample given a warm start in weaker notions of distance, in particular q-R\'enyi divergence for q=mathcal{O}(1), whereas previous analyses required stringent infty-R\'enyi divergence (with the exception of Hit-and-Run, whose known mixing time is higher). This marks the first improvement in the required warmness since Lov\'asz and Simonovits (1991). (2) We refine and generalize the log-Sobolev inequality of Lee and Vempala (2018), originally established for isotropic logconcave distributions in terms of the diameter of the support, to logconcave distributions in terms of a geometric average of the support diameter and the largest eigenvalue of the covariance matrix.

We present the intrinsic and observed sizes of galaxies at zgeq5 in the First Light And Reionisation Epoch Simulations (FLARES). We employ the large effective volume of FLARES to produce a sizeable sample of high redshift galaxies with intrinsic and observed luminosities and half light radii in a range of rest frame UV and visual photometric bands. This sample contains a significant number of intrinsically ultra-compact galaxies in the far-UV (1500 angstrom), leading to a negative intrinsic far-UV size-luminosity relation. However, after the inclusion of the effects of dust these same compact galaxies exhibit observed sizes that are as much as 50 times larger than those measured from the intrinsic emission, and broadly agree with a range of observational samples. This increase in size is driven by the concentration of dust in the core of galaxies, heavily attenuating the intrinsically brightest regions. At fixed luminosity we find a galaxy size redshift evolution with a slope of m=1.21-1.87 depending on the luminosity sample in question, and we demonstrate the wavelength dependence of the size-luminosity relation which will soon be probed by the Webb Space Telescope.

Given alphain(0,1] and pin[1,+infty], we define the space DM^{alpha,p}(mathbb R^n) of L^p vector fields whose alpha-divergence is a finite Radon measure, extending the theory of divergence-measure vector fields to the distributional fractional setting. Our main results concern the absolute continuity properties of the alpha-divergence-measure with respect to the Hausdorff measure and fractional analogues of the Leibniz rule and the Gauss-Green formula. The sharpness of our results is discussed via some explicit examples.

The increasing capabilities of large language models (LLMs) raise opportunities for artificial general intelligence but concurrently amplify safety concerns, such as potential misuse of AI systems, necessitating effective AI alignment. Reinforcement Learning from Human Feedback (RLHF) has emerged as a promising pathway towards AI alignment but brings forth challenges due to its complexity and dependence on a separate reward model. Direct Preference Optimization (DPO) has been proposed as an alternative, and it remains equivalent to RLHF under the reverse KL regularization constraint. This paper presents f-DPO, a generalized approach to DPO by incorporating diverse divergence constraints. We show that under certain f-divergences, including Jensen-Shannon divergence, forward KL divergences and alpha-divergences, the complex relationship between the reward and optimal policy can also be simplified by addressing the Karush-Kuhn-Tucker conditions. This eliminates the need for estimating the normalizing constant in the Bradley-Terry model and enables a tractable mapping between the reward function and the optimal policy. Our approach optimizes LLMs to align with human preferences in a more efficient and supervised manner under a broad set of divergence constraints. Empirically, adopting these divergences ensures a balance between alignment performance and generation diversity. Importantly, f-DPO outperforms PPO-based methods in divergence efficiency, and divergence constraints directly influence expected calibration error (ECE).

In the FLARES (First Light And Reionisation Epoch Simulations) suite of hydrodynamical simulations, we find the high redshift (z>5) intrinsic size-luminosity relation is, surprisingly, negatively sloped. However, after including the effects of dust attenuation we find a positively sloped UV observed size-luminosity relation in good agreement with other simulated and observational studies. In this work, we extend this analysis to probe the underlying physical mechanisms driving the formation and evolution of the compact galaxies driving the negative size-mass/size-luminosity relation. We find the majority of compact galaxies (R_{1/2, star}< 1 pkpc), which drive the negative slope of the size-mass relation, have transitioned from extended to compact sizes via efficient centralised cooling, resulting in high specific star formation rates in their cores. These compact stellar systems are enshrouded by non-star forming gas distributions as much as 100times larger than their stellar counterparts. By comparing with galaxies from the EAGLE simulation suite, we find that these extended gas distributions `turn on' and begin to form stars between z=5 and z=0 leading to increasing sizes, and thus the evolution of the size-mass relation from a negative to a positive slope. This explicitly demonstrates the process of inside-out galaxy formation in which compact bulges form earlier than the surrounding discs.

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while machine learning methods have advanced static density prediction, modeling its spatiotemporal dynamics remains largely unexplored. In this work, we introduce a generative framework that combines a 3D convolutional autoencoder with a latent diffusion model (LDM) to learn electron density trajectories from ab-initio molecular dynamics (AIMD) simulations. Our method encodes electron densities into a compact latent space and predicts their future states by sampling from the learned conditional distribution, enabling stable long-horizon rollouts without drift or collapse. To preserve statistical fidelity, we incorporate a scaled Jensen-Shannon divergence regularization that aligns generated and reference density distributions. On AIMD trajectories of liquid lithium at 800 K, our model accurately captures both the spatial correlations and the log-normal-like statistical structure of the density. The proposed framework has the potential to accelerate the simulation of quantum dynamics and overcome key challenges faced by current spatiotemporal machine learning methods as surrogates of quantum mechanical simulators.

The James Webb Space Telescope's (JWST) discovery of an unexpectedly high abundance of UV-bright galaxies at redshifts z > 10 poses a significant challenge to the standard LambdaCDM cosmology. This work tests whether this tension can be resolved solely by modifying the cosmological background, without invoking significant evolution in the astrophysical properties of early galaxies. We investigate an alternative framework featuring the presence of an anti-de Sitter vacuum in the dark energy sector, a model that naturally arises in quantum gravity models like string theory and can enhance early structure formation. Using a self-consistent semi-analytical model that couples galaxy evolution with reionization, we confront this scenario with a wide range of observations. We first show that while a model tailored to fit the high-z UV luminosity functions (UVLFs) shows promise, it is in strong tension with well-established cosmological constraints from the CMB and other low-redshift probes. Conversely, models within this framework that are consistent with these constraints provide only a modest boost to structure formation and fail to reproduce the observed JWST galaxy abundances at z > 10. While these models remain consistent with the cosmic reionization history, our primary result is that this class of cosmological modifications is insufficient on its own to explain the galaxy excess. Our study underscores the critical importance of holistic testing for any beyond-LambdaCDM proposal; apparent success in one observational regime does not guarantee overall viability. By demonstrating the limitations of a purely cosmological solution, our results strengthen the case that evolving astrophysical properties are a necessary ingredient for solving the challenge of early galaxy formation.

When fine-tuning pre-trained Large Language Models (LLMs) to align with human values and intentions, maximizing the estimated reward can lead to superior performance, but it also introduces potential risks due to deviations from the reference model's intended behavior. Most existing methods typically introduce KL divergence to constrain deviations between the trained model and the reference model; however, this may not be sufficient in certain applications that require tight risk control. In this paper, we introduce Risk-aware Direct Preference Optimization (Ra-DPO), a novel approach that incorporates risk-awareness by employing a class of nested risk measures. This approach formulates a constrained risk-aware advantage function maximization problem and then converts the Bradley-Terry model into a token-level representation. The objective function maximizes the likelihood of the policy while suppressing the deviation between a trained model and the reference model using a sequential risk ratio, thereby enhancing the model's risk-awareness. Experimental results across three open-source datasets: IMDb Dataset, Anthropic HH Dataset, and AlpacaEval, demonstrate the proposed method's superior performance in balancing alignment performance and model drift. Our code is opensourced at https://github.com/zlj123-max/Ra-DPO.

Aligning language models with preferences can be posed as approximating a target distribution representing some desired behavior. Existing approaches differ both in the functional form of the target distribution and the algorithm used to approximate it. For instance, Reinforcement Learning from Human Feedback (RLHF) corresponds to minimizing a reverse KL from an implicit target distribution arising from a KL penalty in the objective. On the other hand, Generative Distributional Control (GDC) has an explicit target distribution and minimizes a forward KL from it using the Distributional Policy Gradient (DPG) algorithm. In this paper, we propose a new approach, f-DPG, which allows the use of any f-divergence to approximate any target distribution that can be evaluated. f-DPG unifies both frameworks (RLHF, GDC) and the approximation methods (DPG, RL with KL penalties). We show the practical benefits of various choices of divergence objectives and demonstrate that there is no universally optimal objective but that different divergences present different alignment and diversity trade-offs. We show that Jensen-Shannon divergence strikes a good balance between these objectives, and frequently outperforms forward KL divergence by a wide margin, leading to significant improvements over prior work. These distinguishing characteristics between divergences persist as the model size increases, highlighting the importance of selecting appropriate divergence objectives.

Knowledge distillation is a model compression technique in which a compact "student" network is trained to replicate the predictive behavior of a larger "teacher" network. In logit-based knowledge distillation, it has become the de facto approach to augment cross-entropy with a distillation term. Typically, this term is either a KL divergence that matches marginal probabilities or a correlation-based loss that captures intra- and inter-class relationships. In every case, it acts as an additional term to cross-entropy. This term has its own weight, which must be carefully tuned. In this paper, we adopt a choice-theoretic perspective and recast knowledge distillation under the Plackett-Luce model by interpreting teacher logits as "worth" scores. We introduce "Plackett-Luce Distillation (PLD)", a weighted list-wise ranking loss. In PLD, the teacher model transfers knowledge of its full ranking of classes, weighting each ranked choice by its own confidence. PLD directly optimizes a single "teacher-optimal" ranking. The true label is placed first, followed by the remaining classes in descending teacher confidence. This process yields a convex and translation-invariant surrogate that subsumes weighted cross-entropy. Empirically, across CIFAR-100, ImageNet-1K, and MS-COCO, PLD achieves consistent gains across diverse architectures and distillation objectives, including divergence-based, correlation-based, and feature-based methods, in both homogeneous and heterogeneous teacher-student pairs.

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of disagreement, the degree to which two models trained with different randomness differ on the same input, is a key to tackle this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have led to the discovery of the disagreement-on-the-line phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.

The wavelength-coverage and sensitivity of JWST now enables us to probe the rest-frame UV - optical spectral energy distributions (SEDs) of galaxies at high-redshift (z>4). From these SEDs it is, in principle, through SED fitting possible to infer key physical properties, including stellar masses, star formation rates, and dust attenuation. These in turn can be compared with the predictions of galaxy formation simulations allowing us to validate and refine the incorporated physics. However, the inference of physical properties, particularly from photometry alone, can lead to large uncertainties and potential biases. Instead, it is now possible, and common, for simulations to be forward-modelled to yield synthetic observations that can be compared directly to real observations. In this work, we measure the JWST broadband fluxes and colours of a robust sample of 5<z<10 galaxies using the Cosmic Evolution Early Release Science (CEERS) Survey. We then analyse predictions from a variety of models using the same methodology and compare the NIRCam/F277W magnitude distribution and NIRCam colours with observations. We find that the predicted and observed magnitude distributions are similar, at least at 5<z<8. At z>8 the distributions differ somewhat, though our observed sample size is small and thus susceptible to statistical fluctuations. Likewise, the predicted and observed colour evolution show broad agreement, at least at 5<z<8. There is however some disagreement between the observed and modelled strength of the strong line contribution. In particular all the models fails to reproduce the F410M-F444W colour at z>8, though, again, the sample size is small here.

Deep metric learning aims to learn an embedding function, modeled as deep neural network. This embedding function usually puts semantically similar images close while dissimilar images far from each other in the learned embedding space. Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.

Loss explosions in training deep neural networks can nullify multi-million dollar training runs. Conventional monitoring metrics like weight and gradient norms are often lagging and ambiguous predictors, as their values vary dramatically across different models and even between layers of the same model, making it difficult to establish a unified standard for detecting impending failure. We introduce Spectral Alignment (SA), a novel, theoretically-grounded metric that monitors the distributional alignment between layer inputs and the principal singular vectors of weight matrices. We show that a collapse in the sign diversity of this alignment is a powerful early predictor of representational collapse and training divergence. Empirical results on language models demonstrate that monitoring the SA distribution provides a significantly earlier and clearer warning of loss explosions than traditional scalar metrics. SA's low computational overhead makes it a practical tool for safeguarding model training.

A central paradox in fine-tuning Large Language Models (LLMs) with Reinforcement Learning with Verifiable Reward (RLVR) is the frequent degradation of multi-attempt performance (Pass@k) despite improvements in single-attempt accuracy (Pass@1). This is often accompanied by catastrophic forgetting, where models lose previously acquired skills. While various methods have been proposed, the choice and function of the divergence term have been surprisingly unexamined as a proactive solution. We argue that standard RLVR objectives -- both those using the mode-seeking reverse KL-divergence and those forgoing a divergence term entirely -- lack a crucial mechanism for knowledge retention. The reverse-KL actively accelerates this decay by narrowing the policy, while its absence provides no safeguard against the model drifting from its diverse knowledge base. We propose a fundamental shift in perspective: using the divergence term itself as the solution. Our framework, Diversity-Preserving Hybrid RL (DPH-RL), leverages mass-covering f-divergences (like forward-KL and JS-divergence) to function as a rehearsal mechanism. By continuously referencing the initial policy, this approach forces the model to maintain broad solution coverage. Extensive experiments on math and SQL generation demonstrate that DPH-RL not only resolves the Pass@k degradation but improves both Pass@1 and Pass@k in- and out-of-domain. Additionally, DPH-RL is more training-efficient because it computes f-divergence using generator functions, requiring only sampling from the initial policy and no online reference model. Our work highlights a crucial, overlooked axis for improving RLVR, demonstrating that the proper selection of a divergence measure is a powerful tool for building more general and diverse reasoning models.

We aim to improve the performance of regressing hand keypoints and segmenting pixel-level hand masks under new imaging conditions (e.g., outdoors) when we only have labeled images taken under very different conditions (e.g., indoors). In the real world, it is important that the model trained for both tasks works under various imaging conditions. However, their variation covered by existing labeled hand datasets is limited. Thus, it is necessary to adapt the model trained on the labeled images (source) to unlabeled images (target) with unseen imaging conditions. While self-training domain adaptation methods (i.e., learning from the unlabeled target images in a self-supervised manner) have been developed for both tasks, their training may degrade performance when the predictions on the target images are noisy. To avoid this, it is crucial to assign a low importance (confidence) weight to the noisy predictions during self-training. In this paper, we propose to utilize the divergence of two predictions to estimate the confidence of the target image for both tasks. These predictions are given from two separate networks, and their divergence helps identify the noisy predictions. To integrate our proposed confidence estimation into self-training, we propose a teacher-student framework where the two networks (teachers) provide supervision to a network (student) for self-training, and the teachers are learned from the student by knowledge distillation. Our experiments show its superiority over state-of-the-art methods in adaptation settings with different lighting, grasping objects, backgrounds, and camera viewpoints. Our method improves by 4% the multi-task score on HO3D compared to the latest adversarial adaptation method. We also validate our method on Ego4D, egocentric videos with rapid changes in imaging conditions outdoors.

Unsupervised video domain adaptation is a practical yet challenging task. In this work, for the first time, we tackle it from a disentanglement view. Our key idea is to handle the spatial and temporal domain divergence separately through disentanglement. Specifically, we consider the generation of cross-domain videos from two sets of latent factors, one encoding the static information and another encoding the dynamic information. A Transfer Sequential VAE (TranSVAE) framework is then developed to model such generation. To better serve for adaptation, we propose several objectives to constrain the latent factors. With these constraints, the spatial divergence can be readily removed by disentangling the static domain-specific information out, and the temporal divergence is further reduced from both frame- and video-levels through adversarial learning. Extensive experiments on the UCF-HMDB, Jester, and Epic-Kitchens datasets verify the effectiveness and superiority of TranSVAE compared with several state-of-the-art approaches. Code is publicly available.

Weight-sharing neural architecture search (NAS) is an effective technique for automating efficient neural architecture design. Weight-sharing NAS builds a supernet that assembles all the architectures as its sub-networks and jointly trains the supernet with the sub-networks. The success of weight-sharing NAS heavily relies on distilling the knowledge of the supernet to the sub-networks. However, we find that the widely used distillation divergence, i.e., KL divergence, may lead to student sub-networks that over-estimate or under-estimate the uncertainty of the teacher supernet, leading to inferior performance of the sub-networks. In this work, we propose to improve the supernet training with a more generalized alpha-divergence. By adaptively selecting the alpha-divergence, we simultaneously prevent the over-estimation or under-estimation of the uncertainty of the teacher model. We apply the proposed alpha-divergence based supernets training to both slimmable neural networks and weight-sharing NAS, and demonstrate significant improvements. Specifically, our discovered model family, AlphaNet, outperforms prior-art models on a wide range of FLOPs regimes, including BigNAS, Once-for-All networks, and AttentiveNAS. We achieve ImageNet top-1 accuracy of 80.0% with only 444M FLOPs. Our code and pretrained models are available at https://github.com/facebookresearch/AlphaNet.

With its exquisite sensitivity, wavelength coverage, and spatial and spectral resolution, the James Webb Space Telescope is poised to revolutionise our view of the distant, high-redshift (z>5) Universe. While Webb's spectroscopic observations will be transformative for the field, photometric observations play a key role in identifying distant objects and providing more comprehensive samples than accessible to spectroscopy alone. In addition to identifying objects, photometric observations can also be used to infer physical properties and thus be used to constrain galaxy formation models. However, inferred physical properties from broadband photometric observations, particularly in the absence of spectroscopic redshifts, often have large uncertainties. With the development of new tools for forward modelling simulations it is now routinely possible to predict observational quantities, enabling a direct comparison with observations. With this in mind, in this work, we make predictions for the colour evolution of galaxies at z=5-15 using the FLARES: First Light And Reionisation Epoch Simulations cosmological hydrodynamical simulation suite. We predict a complex evolution, driven predominantly by strong nebular line emission passing through individual bands. These predictions are in good agreement with existing constraints from Hubble and Spitzer as well as some of the first results from Webb. We also contrast our predictions with other models in the literature: while the general trends are similar we find key differences, particularly in the strength of features associated with strong nebular line emission. This suggests photometric observations alone should provide useful discriminating power between different models.

The ubiquity of camera-enabled devices has led to large amounts of unlabeled image data being produced at the edge. The integration of self-supervised learning (SSL) and federated learning (FL) into one coherent system can potentially offer data privacy guarantees while also advancing the quality and robustness of the learned visual representations without needing to move data around. However, client bias and divergence during FL aggregation caused by data heterogeneity limits the performance of learned visual representations on downstream tasks. In this paper, we propose a new aggregation strategy termed Layer-wise Divergence Aware Weight Aggregation (L-DAWA) to mitigate the influence of client bias and divergence during FL aggregation. The proposed method aggregates weights at the layer-level according to the measure of angular divergence between the clients' model and the global model. Extensive experiments with cross-silo and cross-device settings on CIFAR-10/100 and Tiny ImageNet datasets demonstrate that our methods are effective and obtain new SOTA performance on both contrastive and non-contrastive SSL approaches.

The history of reionisation is highly dependent on the ionising properties of high-redshift galaxies. It is therefore important to have a solid understanding of how the ionising properties of galaxies are linked to physical and observable quantities. In this paper, we use the First Light and Reionisation Epoch Simulations (FLARES) to study the Lyman-continuum (LyC, i.e. hydrogen-ionising) emission of massive (M_*>10^8,M_odot) galaxies at redshifts z=5-10. We find that the specific ionising emissivity (i.e. intrinsic ionising emissivity per unit stellar mass) decreases as stellar mass increases, due to the combined effects of increasing age and metallicity. FLARES predicts a median ionising photon production efficiency (i.e. intrinsic ionising emissivity per unit intrinsic far-UV luminosity) of log_{10}(xi_{rm ion}/erg^{-1Hz})=25.40^{+0.16}_{-0.17}, with values spanning the range log_{10}(xi_{rm ion}/erg^{-1Hz})=25-25.75. This is within the range of many observational estimates, but below some of the extremes observed. We compare the production efficiency with observable properties, and find a weak negative correlation with the UV-continuum slope, and a positive correlation with the OIII equivalent width. We also consider the dust-attenuated production efficiency (i.e. intrinsic ionising emissivity per unit dust-attenuated far-UV luminosity), and find a median of log_{10}(xi_{rm ion}/erg^{-1Hz})sim25.5. Within our sample of M_*>10^8,M_odot galaxies, it is the stellar populations in low mass galaxies that contribute the most to the total ionising emissivity. Active galactic nuclei (AGN) emission accounts for 10-20 % of the total emissivity at a given redshift, and extends the LyC luminosity function by sim0.5 dex.

We introduce a new family of particle evolution samplers suitable for constrained domains and non-Euclidean geometries. Stein Variational Mirror Descent and Mirrored Stein Variational Gradient Descent minimize the Kullback-Leibler (KL) divergence to constrained target distributions by evolving particles in a dual space defined by a mirror map. Stein Variational Natural Gradient exploits non-Euclidean geometry to more efficiently minimize the KL divergence to unconstrained targets. We derive these samplers from a new class of mirrored Stein operators and adaptive kernels developed in this work. We demonstrate that these new samplers yield accurate approximations to distributions on the simplex, deliver valid confidence intervals in post-selection inference, and converge more rapidly than prior methods in large-scale unconstrained posterior inference. Finally, we establish the convergence of our new procedures under verifiable conditions on the target distribution.

Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot learning, and adversarially robust learning. However, little work has theoretically investigated the effect of generative data augmentation. To fill this gap, we establish a general stability bound in this not independently and identically distributed (non-i.i.d.) setting, where the learned distribution is dependent on the original train set and generally not the same as the true distribution. Our theoretical result includes the divergence between the learned distribution and the true distribution. It shows that generative data augmentation can enjoy a faster learning rate when the order of divergence term is o(maxleft( log(m)beta_m, 1 / m)right), where m is the train set size and beta_m is the corresponding stability constant. We further specify the learning setup to the Gaussian mixture model and generative adversarial nets. We prove that in both cases, though generative data augmentation does not enjoy a faster learning rate, it can improve the learning guarantees at a constant level when the train set is small, which is significant when the awful overfitting occurs. Simulation results on the Gaussian mixture model and empirical results on generative adversarial nets support our theoretical conclusions. Our code is available at https://github.com/ML-GSAI/Understanding-GDA.

We present synthetic light curves and spectra from three-dimensional (3D) Monte Carlo radiative transfer simulations based on a 3D core-collapse supernova explosion model of an ultra-stripped 3.5,M_{odot} progenitor. Our calculations predict a fast and faint transient with Delta m_{15} sim 1- 2,mag and peak bolometric luminosity between -15.3,mag and -16.4,mag. Due to a large-scale unipolar asymmetry in the distribution of ^{56}Ni, there is a pronounced viewing-angle dependence with about 1,mag difference between the directions of highest and lowest luminosity. The predicted spectra for this rare class of explosions do not yet match any observed counterpart. They are dominated by prominent Mg~II lines, but features from O, C, Si, and Ca are also found. In particular, the O~I line at 7{774} appears as a blended feature together with Mg~II emission. Our model is not only faster and fainter than the observed Ib/c supernova population, but also shows a correlation between higher peak luminosity and larger Delta m_{15} that is not present in observational samples. A possible explanation is that the unusually small ejecta mass of our model accentuates the viewing-angle dependence of the photometry. We suggest that the viewing-angle dependence of the photometry may be used to constrain asymmetries in explosion models of more typical stripped-envelope supernova progenitors in future.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

The rapid development of generative models has significantly advanced image and video applications. Among these, video creation, aimed at generating videos under various conditions, has gained substantial attention. However, existing video creation models either focus solely on a few specific conditions or suffer from excessively long generation times due to complex model inference, making them impractical for real-world applications. To mitigate these issues, we propose an efficient unified video creation model, named VDOT. Concretely, we model the training process with the distribution matching distillation (DMD) paradigm. Instead of using the Kullback-Leibler (KL) minimization, we additionally employ a novel computational optimal transport (OT) technique to optimize the discrepancy between the real and fake score distributions. The OT distance inherently imposes geometric constraints, mitigating potential zero-forcing or gradient collapse issues that may arise during KL-based distillation within the few-step generation scenario, and thus, enhances the efficiency and stability of the distillation process. Further, we integrate a discriminator to enable the model to perceive real video data, thereby enhancing the quality of generated videos. To support training unified video creation models, we propose a fully automated pipeline for video data annotation and filtering that accommodates multiple video creation tasks. Meanwhile, we curate a unified testing benchmark, UVCBench, to standardize evaluation. Experiments demonstrate that our 4-step VDOT outperforms or matches other baselines with 100 denoising steps.

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

The illumination of the accretion disks is frequently studied assuming that the incident X-ray flux is a point-like source. The approach is referred as lamppost model.The most recent computations of the X-ray reprocessing by the disk take into account the departure from the simple lamppost models. However, in computations of the incident flux thermalization and subsequent re-emission in the optical-UV band the lamppost approximation is most frequently assumed. We test if the UV-optical reverberation mapping and time delay measurements are sensitive to this assumption. We assume that the incident radiation originates from a region extended along the symmetry axis. To model this, we adopt a simple setup by representing the emission as two lamps irradiating the disk simultaneously from two different heights. We then compare the resulting predictions with those obtained for a single lamppost located at an intermediate height. We show at the basis of the transfer function that the deviation of the wavelength-dependent delay curve shows at most a difference of 20% in comparison to a single lamppost, assuming the black hole mass of 10^8 M_{odot}, Eddington ratio 1, and the location of the lamps at 5 and 100 rg. The maximum deviation happens for the lamp luminosity ratio sim3. When simulating light curves for a two-lamp setup and a standard lamppost with the same black hole mass and a sampling rate of 0.1 days, we find no measurable differences in the ICCF profiles between the two setups. Larger black hole mass and considerably lower Eddington ratio would allow to see larger differences between a single lamppost and a two-lampost model. UV/optical reverberation mapping is not very sensitive to the vertical extension of the corona.

3D reconstruction from in-the-wild images remains a challenging task due to inconsistent lighting conditions and transient distractors. Existing methods typically rely on heuristic strategies to handle the low-quality training data, which often struggle to produce stable and consistent reconstructions, frequently resulting in visual artifacts. In this work, we propose Asymmetric Dual 3DGS, a novel framework that leverages the stochastic nature of these artifacts: they tend to vary across different training runs due to minor randomness. Specifically, our method trains two 3D Gaussian Splatting (3DGS) models in parallel, enforcing a consistency constraint that encourages convergence on reliable scene geometry while suppressing inconsistent artifacts. To prevent the two models from collapsing into similar failure modes due to confirmation bias, we introduce a divergent masking strategy that applies two complementary masks: a multi-cue adaptive mask and a self-supervised soft mask, which leads to an asymmetric training process of the two models, reducing shared error modes. In addition, to improve the efficiency of model training, we introduce a lightweight variant called Dynamic EMA Proxy, which replaces one of the two models with a dynamically updated Exponential Moving Average (EMA) proxy, and employs an alternating masking strategy to preserve divergence. Extensive experiments on challenging real-world datasets demonstrate that our method consistently outperforms existing approaches while achieving high efficiency. Codes and trained models will be released.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

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 this paper, we investigate when and how visual representations learned by two different generative models diverge. Given two text-to-image models, our goal is to discover visual attributes that appear in images generated by one model but not the other, along with the types of prompts that trigger these attribute differences. For example, "flames" might appear in one model's outputs when given prompts expressing strong emotions, while the other model does not produce this attribute given the same prompts. We introduce CompCon (Comparing Concepts), an evolutionary search algorithm that discovers visual attributes more prevalent in one model's output than the other, and uncovers the prompt concepts linked to these visual differences. To evaluate CompCon's ability to find diverging representations, we create an automated data generation pipeline to produce ID2, a dataset of 60 input-dependent differences, and compare our approach to several LLM- and VLM-powered baselines. Finally, we use CompCon to compare popular text-to-image models, finding divergent representations such as how PixArt depicts prompts mentioning loneliness with wet streets and Stable Diffusion 3.5 depicts African American people in media professions. Code at: https://github.com/adobe-research/CompCon

The modern paradigm in machine learning involves pre-training on diverse data, followed by task-specific fine-tuning. In reinforcement learning (RL), this translates to learning via offline RL on a diverse historical dataset, followed by rapid online RL fine-tuning using interaction data. Most RL fine-tuning methods require continued training on offline data for stability and performance. However, this is undesirable because training on diverse offline data is slow and expensive for large datasets, and in principle, also limit the performance improvement possible because of constraints or pessimism on offline data. In this paper, we show that retaining offline data is unnecessary as long as we use a properly-designed online RL approach for fine-tuning offline RL initializations. To build this approach, we start by analyzing the role of retaining offline data in online fine-tuning. We find that continued training on offline data is mostly useful for preventing a sudden divergence in the value function at the onset of fine-tuning, caused by a distribution mismatch between the offline data and online rollouts. This divergence typically results in unlearning and forgetting the benefits of offline pre-training. Our approach, Warm-start RL (WSRL), mitigates the catastrophic forgetting of pre-trained initializations using a very simple idea. WSRL employs a warmup phase that seeds the online RL run with a very small number of rollouts from the pre-trained policy to do fast online RL. The data collected during warmup helps ``recalibrate'' the offline Q-function to the online distribution, allowing us to completely discard offline data without destabilizing the online RL fine-tuning. We show that WSRL is able to fine-tune without retaining any offline data, and is able to learn faster and attains higher performance than existing algorithms irrespective of whether they retain offline data or not.

We present a systematic study of the BVRI colours of novae over the course of their eruptions. Where possible, interstellar reddening was measured using the equivalent widths of Diffuse Interstellar Bands (DIBs). Some novae lack spectra with sufficient resolution and signal-to-noise ratios; therefore, we supplement as necessary with 3D and 2D dust maps. Utilising only novae with DIB- or 3D-map-based E(B-V), we find an average intrinsic (B-V)_0 colour of novae at V-band light curve peak of 0.18 with a standard deviation of 0.31, based on a sample of 23 novae. When the light curve has declined by 2 magnitudes (t_2), we find an average (B-V)_0 = -0.02 with a standard deviation of 0.19. These average colours are consistent with previous findings, although the spreads are larger than previously found due to more accurate reddening estimates. We also examined the intrinsic (R-I)_0 and (V-R)_0 colours across our sample. These colours behave similarly to (B-V)_0, except that the (V-R)_0 colour gets redder after peak, likely due to the contributions of emission line flux. We searched for correlations between nova colours and t_2, peak V-band absolute magnitude, and GeV gamma-ray luminosity, but find no statistically significant correlations. Nova colours can therefore be used as standard "crayons" to estimate interstellar reddening from photometry alone, with 0.2--0.3 mag uncertainty. We present a novel Bayesian strategy for estimating distances to Galactic novae based on these E(B-V) measurements, independent of assumptions about luminosity, built using 3D dust maps and a stellar mass model of the Milky Way.

Solar irradiance and its variations in the ultraviolet (UV) control the photochemistry in Earth's atmosphere and influence Earth's climate. The variability of Mg II h and k core-to-wing ratio, also known as the Mg II index, is highly correlated with the solar UV irradiance variability. Because of this, Mg II index is routinely used as a proxy for solar UV irradiance variability, which can help to get insights into the influence of solar UV irradiance variability on Earth's climate. Measurements of the Mg II index, however, have only been carried out since 1978 and do not cover the climate relevant timescales longer than a few decades. Here we present a model to calculate the Mg II index and its variability based on the well-established SATIRE (Spectral And Total Irradiance REconstruction) model. We demonstrate that our model calculations yield an excellent agreement with the observed Mg II index variations, both on the solar activity cycle and on the solar rotation timescales. Using this model, we synthesize Mg II index timeseries on climate relevant timescales of decades and longer. Here we present the timeseries of the Mg II index spanning nearly three centuries.

We characterize the statistical efficiency of knowledge transfer through n samples from a teacher to a probabilistic student classifier with input space mathcal S over labels mathcal A. We show that privileged information at three progressive levels accelerates the transfer. At the first level, only samples with hard labels are known, via which the maximum likelihood estimator attains the minimax rate {|{mathcal S||{mathcal A}|}/{n}}. The second level has the teacher probabilities of sampled labels available in addition, which turns out to boost the convergence rate lower bound to {{|{mathcal S}||{mathcal A}|}/{n}}. However, under this second data acquisition protocol, minimizing a naive adaptation of the cross-entropy loss results in an asymptotically biased student. We overcome this limitation and achieve the fundamental limit by using a novel empirical variant of the squared error logit loss. The third level further equips the student with the soft labels (complete logits) on {mathcal A} given every sampled input, thereby provably enables the student to enjoy a rate {|{mathcal S}|}/{n} free of |{mathcal A}|. We find any Kullback-Leibler divergence minimizer to be optimal in the last case. Numerical simulations distinguish the four learners and corroborate our theory.

As the scale of training corpora for large language models (LLMs) grows, model developers become increasingly reluctant to disclose details on their data. This lack of transparency poses challenges to scientific evaluation and ethical deployment. Recently, pretraining data detection approaches, which infer whether a given text was part of an LLM's training data through black-box access, have been explored. The Min-K\% Prob method, which has achieved state-of-the-art results, assumes that a non-training example tends to contain a few outlier words with low token probabilities. However, the effectiveness may be limited as it tends to misclassify non-training texts that contain many common words with high probabilities predicted by LLMs. To address this issue, we introduce a divergence-based calibration method, inspired by the divergence-from-randomness concept, to calibrate token probabilities for pretraining data detection. We compute the cross-entropy (i.e., the divergence) between the token probability distribution and the token frequency distribution to derive a detection score. We have developed a Chinese-language benchmark, PatentMIA, to assess the performance of detection approaches for LLMs on Chinese text. Experimental results on English-language benchmarks and PatentMIA demonstrate that our proposed method significantly outperforms existing methods. Our code and PatentMIA benchmark are available at https://github.com/zhang-wei-chao/DC-PDD.

Plasticity, the ability of a neural network to quickly change its predictions in response to new information, is essential for the adaptability and robustness of deep reinforcement learning systems. Deep neural networks are known to lose plasticity over the course of training even in relatively simple learning problems, but the mechanisms driving this phenomenon are still poorly understood. This paper conducts a systematic empirical analysis into plasticity loss, with the goal of understanding the phenomenon mechanistically in order to guide the future development of targeted solutions. We find that loss of plasticity is deeply connected to changes in the curvature of the loss landscape, but that it typically occurs in the absence of saturated units or divergent gradient norms. Based on this insight, we identify a number of parameterization and optimization design choices which enable networks to better preserve plasticity over the course of training. We validate the utility of these findings in larger-scale learning problems by applying the best-performing intervention, layer normalization, to a deep RL agent trained on the Arcade Learning Environment.

Following the remarkable success of diffusion models on image generation, recent works have also demonstrated their impressive ability to address a number of inverse problems in an unsupervised way, by properly constraining the sampling process based on a conditioning input. Motivated by this, in this paper, we present the first approach to use diffusion models as a prior for highly accurate 3D facial BRDF reconstruction from a single image. We start by leveraging a high-quality UV dataset of facial reflectance (diffuse and specular albedo and normals), which we render under varying illumination settings to simulate natural RGB textures and, then, train an unconditional diffusion model on concatenated pairs of rendered textures and reflectance components. At test time, we fit a 3D morphable model to the given image and unwrap the face in a partial UV texture. By sampling from the diffusion model, while retaining the observed texture part intact, the model inpaints not only the self-occluded areas but also the unknown reflectance components, in a single sequence of denoising steps. In contrast to existing methods, we directly acquire the observed texture from the input image, thus, resulting in more faithful and consistent reflectance estimation. Through a series of qualitative and quantitative comparisons, we demonstrate superior performance in both texture completion as well as reflectance reconstruction tasks.

We introduce SeaS, a unified industrial generative model for automatically creating diverse anomalies, authentic normal products, and precise anomaly masks. While extensive research exists, most efforts either focus on specific tasks, i.e., anomalies or normal products only, or require separate models for each anomaly type. Consequently, prior methods either offer limited generative capability or depend on a vast array of anomaly-specific models. We demonstrate that U-Net's differentiated learning ability captures the distinct visual traits of slightly-varied normal products and diverse anomalies, enabling us to construct a unified model for all tasks. Specifically, we first introduce an Unbalanced Abnormal (UA) Text Prompt, comprising one normal token and multiple anomaly tokens. More importantly, our Decoupled Anomaly Alignment (DA) loss decouples anomaly attributes and binds them to distinct anomaly tokens of UA, enabling SeaS to create unseen anomalies by recombining these attributes. Furthermore, our Normal-image Alignment (NA) loss aligns the normal token to normal patterns, making generated normal products globally consistent and locally varied. Finally, SeaS produces accurate anomaly masks by fusing discriminative U-Net features with high-resolution VAE features. SeaS sets a new benchmark for industrial generation, significantly enhancing downstream applications, with average improvements of +8.66% pixel-level AP for synthesis-based AD approaches, +1.10% image-level AP for unsupervised AD methods, and +12.79% IoU for supervised segmentation models. Code is available at https://github.com/HUST-SLOW/SeaS{https://github.com/HUST-SLOW/SeaS}.

Unified visual grounding pursues a simple and generic technical route to leverage multi-task data with less task-specific design. The most advanced methods typically present boxes and masks as vertex sequences to model referring detection and segmentation as an autoregressive sequential vertex generation paradigm. However, generating high-dimensional vertex sequences sequentially is error-prone because the upstream of the sequence remains static and cannot be refined based on downstream vertex information, even if there is a significant location gap. Besides, with limited vertexes, the inferior fitting of objects with complex contours restricts the performance upper bound. To deal with this dilemma, we propose a parallel vertex generation paradigm for superior high-dimension scalability with a diffusion model by simply modifying the noise dimension. An intuitive materialization of our paradigm is Parallel Vertex Diffusion (PVD) to directly set vertex coordinates as the generation target and use a diffusion model to train and infer. We claim that it has two flaws: (1) unnormalized coordinate caused a high variance of loss value; (2) the original training objective of PVD only considers point consistency but ignores geometry consistency. To solve the first flaw, Center Anchor Mechanism (CAM) is designed to convert coordinates as normalized offset values to stabilize the training loss value. For the second flaw, Angle summation loss (ASL) is designed to constrain the geometry difference of prediction and ground truth vertexes for geometry-level consistency. Empirical results show that our PVD achieves state-of-the-art in both referring detection and segmentation, and our paradigm is more scalable and efficient than sequential vertex generation with high-dimension data.

Recent observations with the James Webb Space Telescope (JWST) have uncovered unexpectedly high cosmic star formation activity in the early Universe, mere hundreds of millions of years after the Big Bang. These observations are often understood to reflect an evolutionary shift in star formation efficiency (SFE) caused by changing galactic conditions during these early epochs. We present FIREbox-HR, a high-resolution, cosmological hydrodynamical simulation from the Feedback in Realistic Environments project, which offers insights into the SFE of galaxies during the first billion years of cosmic time. FIREbox-HR re-simulates the cosmic volume (L = 22.1 cMpc) of the original FIREbox run with eight times higher mass resolution (m_b ~ 7800 M_sun), but with identical physics, down to z ~ 6. FIREbox-HR predicts ultraviolet (UV) luminosity functions in good agreement with available observational data. The simulation also successfully reproduces the observed cosmic UV luminosity density at z ~ 6 - 14, demonstrating that relatively high star formation activity in the early Universe is a natural outcome of the baryonic processes encoded in the FIRE-2 model. According to FIREbox-HR, the SFE - halo mass relation for intermediate mass halos (M_halo ~ 10^9 - 10^11 M_sun) does not significantly evolve with redshift and is only weakly mass-dependent. These properties of the SFE - halo mass relation lead to a larger contribution from lower mass halos at higher z, driving the gradual evolution of the observed cosmic UV luminosity density. A theoretical model based on the SFE - halo mass relation inferred from FIREbox-HR allows us to explore implications for galaxy evolution. Future observations of UV faint galaxies at z > 12 will provide an opportunity to further test these predictions and deepen our understanding of star formation during Cosmic Dawn.

Despite the widespread empirical success of ResNet, the generalization properties of deep ResNet are rarely explored beyond the lazy training regime. In this work, we investigate scaled ResNet in the limit of infinitely deep and wide neural networks, of which the gradient flow is described by a partial differential equation in the large-neural network limit, i.e., the mean-field regime. To derive the generalization bounds under this setting, our analysis necessitates a shift from the conventional time-invariant Gram matrix employed in the lazy training regime to a time-variant, distribution-dependent version. To this end, we provide a global lower bound on the minimum eigenvalue of the Gram matrix under the mean-field regime. Besides, for the traceability of the dynamic of Kullback-Leibler (KL) divergence, we establish the linear convergence of the empirical error and estimate the upper bound of the KL divergence over parameters distribution. Finally, we build the uniform convergence for generalization bound via Rademacher complexity. Our results offer new insights into the generalization ability of deep ResNet beyond the lazy training regime and contribute to advancing the understanding of the fundamental properties of deep neural networks.

The problem of estimating an unknown discrete distribution from its samples is a fundamental tenet of statistical learning. Over the past decade, it attracted significant research effort and has been solved for a variety of divergence measures. Surprisingly, an equally important problem, estimating an unknown Markov chain from its samples, is still far from understood. We consider two problems related to the min-max risk (expected loss) of estimating an unknown k-state Markov chain from its n sequential samples: predicting the conditional distribution of the next sample with respect to the KL-divergence, and estimating the transition matrix with respect to a natural loss induced by KL or a more general f-divergence measure. For the first measure, we determine the min-max prediction risk to within a linear factor in the alphabet size, showing it is Omega(kloglog n / n) and O(k^2loglog n / n). For the second, if the transition probabilities can be arbitrarily small, then only trivial uniform risk upper bounds can be derived. We therefore consider transition probabilities that are bounded away from zero, and resolve the problem for essentially all sufficiently smooth f-divergences, including KL-, L_2-, Chi-squared, Hellinger, and Alpha-divergences.

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation t by striking a trade-off between a compression term I(x;t) and a prediction term I(y;t), where I(cdot;cdot) refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck.

We present a theory for the previously unexplained divergent behavior noticed in the training of large language models. We argue that the phenomenon is an artifact of the dominant optimization algorithm used for training, called Adam. We observe that Adam can enter a state in which the parameter update vector has a relatively large norm and is essentially uncorrelated with the direction of descent on the training loss landscape, leading to divergence. This artifact is more likely to be observed in the training of a deep model with a large batch size, which is the typical setting of large-scale language model training. To argue the theory, we present observations from the training runs of the language models of different scales: 7 billion, 30 billion, 65 billion, and 546 billion parameters.

Textures are a vital aspect of creating visually appealing and realistic 3D models. In this paper, we study the problem of generating high-fidelity texture given shapes of 3D assets, which has been relatively less explored compared with generic 3D shape modeling. Our goal is to facilitate a controllable texture generation process, such that one texture code can correspond to a particular appearance style independent of any input shapes from a category. We introduce Texture UV Radiance Fields (TUVF) that generate textures in a learnable UV sphere space rather than directly on the 3D shape. This allows the texture to be disentangled from the underlying shape and transferable to other shapes that share the same UV space, i.e., from the same category. We integrate the UV sphere space with the radiance field, which provides a more efficient and accurate representation of textures than traditional texture maps. We perform our experiments on real-world object datasets where we achieve not only realistic synthesis but also substantial improvements over state-of-the-arts on texture controlling and editing. Project Page: https://www.anjiecheng.me/TUVF

While high-quality texture maps are essential for realistic 3D asset rendering, few studies have explored learning directly in the texture space, especially on large-scale datasets. In this work, we depart from the conventional approach of relying on pre-trained 2D diffusion models for test-time optimization of 3D textures. Instead, we focus on the fundamental problem of learning in the UV texture space itself. For the first time, we train a large diffusion model capable of directly generating high-resolution texture maps in a feed-forward manner. To facilitate efficient learning in high-resolution UV spaces, we propose a scalable network architecture that interleaves convolutions on UV maps with attention layers on point clouds. Leveraging this architectural design, we train a 700 million parameter diffusion model that can generate UV texture maps guided by text prompts and single-view images. Once trained, our model naturally supports various extended applications, including text-guided texture inpainting, sparse-view texture completion, and text-driven texture synthesis. Project page is at http://cvmi-lab.github.io/TEXGen/.

In this paper, we unify more than 10 existing one-step diffusion distillation approaches, such as Diff-Instruct, DMD, SIM, SiD, f-distill, etc, inside a theory-driven framework which we name the \emph{Uni-Instruct}. Uni-Instruct is motivated by our proposed diffusion expansion theory of the f-divergence family. Then we introduce key theories that overcome the intractability issue of the original expanded f-divergence, resulting in an equivalent yet tractable loss that effectively trains one-step diffusion models by minimizing the expanded f-divergence family. The novel unification introduced by Uni-Instruct not only offers new theoretical contributions that help understand existing approaches from a high-level perspective but also leads to state-of-the-art one-step diffusion generation performances. On the CIFAR10 generation benchmark, Uni-Instruct achieves record-breaking Frechet Inception Distance (FID) values of \emph{1.46} for unconditional generation and \emph{1.38} for conditional generation. On the ImageNet-64times 64 generation benchmark, Uni-Instruct achieves a new SoTA one-step generation FID of \emph{1.02}, which outperforms its 79-step teacher diffusion with a significant improvement margin of 1.33 (1.02 vs 2.35). We also apply Uni-Instruct on broader tasks like text-to-3D generation. For text-to-3D generation, Uni-Instruct gives decent results, which slightly outperforms previous methods, such as SDS and VSD, in terms of both generation quality and diversity. Both the solid theoretical and empirical contributions of Uni-Instruct will potentially help future studies on one-step diffusion distillation and knowledge transferring of diffusion models.

We introduce a single-view reconstruction technique of volumetric fields in which multiple light scattering effects are omnipresent, such as in clouds. We model the unknown distribution of volumetric fields using an unconditional diffusion model trained on a novel benchmark dataset comprising 1,000 synthetically simulated volumetric density fields. The neural diffusion model is trained on the latent codes of a novel, diffusion-friendly, monoplanar representation. The generative model is used to incorporate a tailored parametric diffusion posterior sampling technique into different reconstruction tasks. A physically-based differentiable volume renderer is employed to provide gradients with respect to light transport in the latent space. This stands in contrast to classic NeRF approaches and makes the reconstructions better aligned with observed data. Through various experiments, we demonstrate single-view reconstruction of volumetric clouds at a previously unattainable quality.

A simple and effective method for the alignment of generative models is the best-of-n policy, where n samples are drawn from a base policy, and ranked based on a reward function, and the highest ranking one is selected. A commonly used analytical expression in the literature claims that the KL divergence between the best-of-n policy and the base policy is equal to log (n) - (n-1)/n. We disprove the validity of this claim, and show that it is an upper bound on the actual KL divergence. We also explore the tightness of this upper bound in different regimes. Finally, we propose a new estimator for the KL divergence and empirically show that it provides a tight approximation through a few examples.

Context. Understanding how the shape of cloud particle size distributions affects the atmospheric properties of sub-stellar atmospheres is a key area to explore, particularly in the JWST era of broad wavelength coverage, where observations are sensitive to particle size distributions. It is therefore important to elucidate how underlying cloud microphysical processes influence the size distribution, in order to better understand how clouds affect observed atmospheric properties. Aims. In this follow-up paper, we aim to extend our sub-stellar atmosphere microphysical cloud formation framework from Paper I to include effects of assuming a polydisperse gamma particle size distribution, requiring a three-moment solution set of equations. Methods. We develop a three-moment framework for sub-stellar mineral cloud particle microphysical nucleation, condensation, evaporation and collisional growth assuming a gamma distribution. As in the previous paper, we demonstrate the effects of polydispersity using a simple one-dimensional Y-dwarf KCl cloud formation scenario, and compare the results with the monodisperse case. Results. Our three-moment scheme provides a generalised framework applicable to any size distribution with a defined moment generation expression. In our test case, we show that the gamma distribution evolves with altitude, initially broad at the cloud base and narrowing at lower pressures. We find that differences between the gamma and monodisperse cloud structures can be significant, depending on the surface gravity of the atmosphere. Conclusions. We present a self-consistent framework for including the effects of polydispersity for sub-stellar microphysical cloud studies using the moment method.

In contrastive learning, two views of an original image, generated by different augmentations, are considered a positive pair, and their similarity is required to be high. Similarly, two views of distinct images form a negative pair, with encouraged low similarity. Typically, a single similarity measure, provided by a lone projection head, evaluates positive and negative sample pairs. However, due to diverse augmentation strategies and varying intra-sample similarity, views from the same image may not always be similar. Additionally, owing to inter-sample similarity, views from different images may be more akin than those from the same image. Consequently, enforcing high similarity for positive pairs and low similarity for negative pairs may be unattainable, and in some cases, such enforcement could detrimentally impact performance. To address this challenge, we propose using multiple projection heads, each producing a distinct set of features. Our pre-training loss function emerges from a solution to the maximum likelihood estimation over head-wise posterior distributions of positive samples given observations. This loss incorporates the similarity measure over positive and negative pairs, each re-weighted by an individual adaptive temperature, regulated to prevent ill solutions. Our approach, Adaptive Multi-Head Contrastive Learning (AMCL), can be applied to and experimentally enhances several popular contrastive learning methods such as SimCLR, MoCo, and Barlow Twins. The improvement remains consistent across various backbones and linear probing epochs, and becomes more significant when employing multiple augmentation methods.

Large language models (LLMs) have revolutionized the role of AI, yet also pose potential risks of propagating unethical content. Alignment technologies have been introduced to steer LLMs towards human preference, gaining increasing attention. Despite notable breakthroughs in this direction, existing methods heavily rely on high-quality positive-negative training pairs, suffering from noisy labels and the marginal distinction between preferred and dispreferred response data. Given recent LLMs' proficiency in generating helpful responses, this work pivots towards a new research focus: achieving alignment using solely human-annotated negative samples, preserving helpfulness while reducing harmfulness. For this purpose, we propose Distributional Dispreference Optimization (D^2O), which maximizes the discrepancy between the generated responses and the dispreferred ones to effectively eschew harmful information. We theoretically demonstrate that D^2O is equivalent to learning a distributional instead of instance-level preference model reflecting human dispreference against the distribution of negative responses. Besides, D^2O integrates an implicit Jeffrey Divergence regularization to balance the exploitation and exploration of reference policies and converges to a non-negative one during training. Extensive experiments demonstrate that our method achieves comparable generation quality and surpasses the latest baselines in producing less harmful and more informative responses with better training stability and faster convergence.

We present constraints on the spacetime variation of the fine-structure constant alpha at redshifts 2.5le z<9.5 using JWST emission-line galaxies. The galaxy sample consists of 621 high-quality spectra with strong and narrow [O III] lambdalambda4959,5007 doublet emission lines from 578 galaxies, including 232 spectra at z>5. The [O III] doublet lines are arguably the best emission lines to probe the variation in alpha. We divide our sample into six subsamples based on redshift and calculate the relative variation Deltaalpha/alpha for the individual subsamples. The calculated Deltaalpha/alpha values are consistent with zero within 1sigma at all redshifts, suggesting no time variation in alpha above a level of (1-2) times10^{-4} (1sigma) in the past 13.2 billion years. When the whole sample is combined, the constraint is improved to be Deltaalpha/alpha = (0.2pm0.7) times10^{-4}. We further test the spatial variation in alpha using four subsamples of galaxies in four different directions on the sky. The measured Deltaalpha/alpha values are consistent with zero at a 1sigma level of sim 2times10^{-4}. While the constraints in this work are not as stringent as those from lower-redshift quasar absorption lines in previous studies, this work uses an independent tracer and provides the first constraints on Deltaalpha/alpha at the highest redshifts. With the growing number of emission-line galaxies from JWST, we expect to achieve stronger constraints in the future.

In this paper, we first investigate a visual quality degradation problem observed in recent high-resolution virtual try-on approach. The tendency is empirically found that the textures of clothes are squeezed at the sleeve, as visualized in the upper row of Fig.1(a). A main reason for the issue arises from a gradient conflict between two popular losses, the Total Variation (TV) and adversarial losses. Specifically, the TV loss aims to disconnect boundaries between the sleeve and torso in a warped clothing mask, whereas the adversarial loss aims to combine between them. Such contrary objectives feedback the misaligned gradients to a cascaded appearance flow estimation, resulting in undesirable squeezing artifacts. To reduce this, we propose a Sequential Deformation (SD-VITON) that disentangles the appearance flow prediction layers into TV objective-dominant (TVOB) layers and a task-coexistence (TACO) layer. Specifically, we coarsely fit the clothes onto a human body via the TVOB layers, and then keep on refining via the TACO layer. In addition, the bottom row of Fig.1(a) shows a different type of squeezing artifacts around the waist. To address it, we further propose that we first warp the clothes into a tucked-out shirts style, and then partially erase the texture from the warped clothes without hurting the smoothness of the appearance flows. Experimental results show that our SD-VITON successfully resolves both types of artifacts and outperforms the baseline methods. Source code will be available at https://github.com/SHShim0513/SD-VITON.

Instance segmentation is data-hungry, and as model capacity increases, data scale becomes crucial for improving the accuracy. Most instance segmentation datasets today require costly manual annotation, limiting their data scale. Models trained on such data are prone to overfitting on the training set, especially for those rare categories. While recent works have delved into exploiting generative models to create synthetic datasets for data augmentation, these approaches do not efficiently harness the full potential of generative models. To address these issues, we introduce a more efficient strategy to construct generative datasets for data augmentation, termed DiverGen. Firstly, we provide an explanation of the role of generative data from the perspective of distribution discrepancy. We investigate the impact of different data on the distribution learned by the model. We argue that generative data can expand the data distribution that the model can learn, thus mitigating overfitting. Additionally, we find that the diversity of generative data is crucial for improving model performance and enhance it through various strategies, including category diversity, prompt diversity, and generative model diversity. With these strategies, we can scale the data to millions while maintaining the trend of model performance improvement. On the LVIS dataset, DiverGen significantly outperforms the strong model X-Paste, achieving +1.1 box AP and +1.1 mask AP across all categories, and +1.9 box AP and +2.5 mask AP for rare categories.

Moment restrictions and their conditional counterparts emerge in many areas of machine learning and statistics ranging from causal inference to reinforcement learning. Estimators for these tasks, generally called methods of moments, include the prominent generalized method of moments (GMM) which has recently gained attention in causal inference. GMM is a special case of the broader family of empirical likelihood estimators which are based on approximating a population distribution by means of minimizing a varphi-divergence to an empirical distribution. However, the use of varphi-divergences effectively limits the candidate distributions to reweightings of the data samples. We lift this long-standing limitation and provide a method of moments that goes beyond data reweighting. This is achieved by defining an empirical likelihood estimator based on maximum mean discrepancy which we term the kernel method of moments (KMM). We provide a variant of our estimator for conditional moment restrictions and show that it is asymptotically first-order optimal for such problems. Finally, we show that our method achieves competitive performance on several conditional moment restriction tasks.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a ConjNorm method, reframing density function design as a search for the optimal norm coefficient p against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed ConjNorm has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25% and 28.19% (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

Large language models (LLMs) have shown impressive capabilities in adapting to various tasks when provided with task-specific instructions. However, LLMs using standard decoding strategies often struggle with deviations from the inputs. Intuitively, compliant LLM outputs should reflect the information present in the input, which can be measured by point-wise mutual information (PMI) scores. Therefore, we propose Diver, a novel approach that enhances LLM Decoding through span-level PMI verification. During inference, Diver first identifies divergence steps that may lead to multiple candidate spans. Subsequently, it calculates the PMI scores by assessing the log-likelihood gains of the input if the candidate spans are generated. Finally, the optimal span is selected based on the PMI re-ranked output distributions. We evaluate our method across various downstream tasks, and empirical results demonstrate that Diver significantly outperforms existing decoding methods in both performance and versatility.

This work represents the first effort to scale up continuous-time consistency distillation to general application-level image and video diffusion models. Although continuous-time consistency model (sCM) is theoretically principled and empirically powerful for accelerating academic-scale diffusion, its applicability to large-scale text-to-image and video tasks remains unclear due to infrastructure challenges in Jacobian-vector product (JVP) computation and the limitations of standard evaluation benchmarks. We first develop a parallelism-compatible FlashAttention-2 JVP kernel, enabling sCM training on models with over 10 billion parameters and high-dimensional video tasks. Our investigation reveals fundamental quality limitations of sCM in fine-detail generation, which we attribute to error accumulation and the "mode-covering" nature of its forward-divergence objective. To remedy this, we propose the score-regularized continuous-time consistency model (rCM), which incorporates score distillation as a long-skip regularizer. This integration complements sCM with the "mode-seeking" reverse divergence, effectively improving visual quality while maintaining high generation diversity. Validated on large-scale models (Cosmos-Predict2, Wan2.1) up to 14B parameters and 5-second videos, rCM matches or surpasses the state-of-the-art distillation method DMD2 on quality metrics while offering notable advantages in diversity, all without GAN tuning or extensive hyperparameter searches. The distilled models generate high-fidelity samples in only 1sim4 steps, accelerating diffusion sampling by 15timessim50times. These results position rCM as a practical and theoretically grounded framework for advancing large-scale diffusion distillation.

Many colour maps provided by vendors have highly uneven perceptual contrast over their range. It is not uncommon for colour maps to have perceptual flat spots that can hide a feature as large as one tenth of the total data range. Colour maps may also have perceptual discontinuities that induce the appearance of false features. Previous work in the design of perceptually uniform colour maps has mostly failed to recognise that CIELAB space is only designed to be perceptually uniform at very low spatial frequencies. The most important factor in designing a colour map is to ensure that the magnitude of the incremental change in perceptual lightness of the colours is uniform. The specific requirements for linear, diverging, rainbow and cyclic colour maps are developed in detail. To support this work two test images for evaluating colour maps are presented. The use of colour maps in combination with relief shading is considered and the conditions under which colour can enhance or disrupt relief shading are identified. Finally, a set of new basis colours for the construction of ternary images are presented. Unlike the RGB primaries these basis colours produce images whereby the salience of structures are consistent irrespective of the assignment of basis colours to data channels.

Hyperspectral pansharpening has received much attention in recent years due to technological and methodological advances that open the door to new application scenarios. However, research on this topic is only now gaining momentum. The most popular methods are still borrowed from the more mature field of multispectral pansharpening and often overlook the unique challenges posed by hyperspectral data fusion, such as i) the very large number of bands, ii) the overwhelming noise in selected spectral ranges, iii) the significant spectral mismatch between panchromatic and hyperspectral components, iv) a typically high resolution ratio. Imprecise data modeling especially affects spectral fidelity. Even state-of-the-art methods perform well in certain spectral ranges and much worse in others, failing to ensure consistent quality across all bands, with the risk of generating unreliable results. Here, we propose a hyperspectral pansharpening method that explicitly addresses this problem and ensures uniform spectral quality. To this end, a single lightweight neural network is used, with weights that adapt on the fly to each band. During fine-tuning, the spatial loss is turned on and off to ensure a fast convergence of the spectral loss to the desired level, according to a hysteresis-like dynamic. Furthermore, the spatial loss itself is appropriately redefined to account for nonlinear dependencies between panchromatic and spectral bands. Overall, the proposed method is fully unsupervised, with no prior training on external data, flexible, and low-complexity. Experiments on a recently published benchmarking toolbox show that it ensures excellent sharpening quality, competitive with the state-of-the-art, consistently across all bands. The software code and the full set of results are shared online on https://github.com/giu-guarino/rho-PNN.

Modern alignment techniques based on human preferences, such as RLHF and DPO, typically employ divergence regularization relative to the reference model to ensure training stability. However, this often limits the flexibility of models during alignment, especially when there is a clear distributional discrepancy between the preference data and the reference model. In this paper, we focus on the alignment of recent text-to-image diffusion models, such as Stable Diffusion XL (SDXL), and find that this "reference mismatch" is indeed a significant problem in aligning these models due to the unstructured nature of visual modalities: e.g., a preference for a particular stylistic aspect can easily induce such a discrepancy. Motivated by this observation, we propose a novel and memory-friendly preference alignment method for diffusion models that does not depend on any reference model, coined margin-aware preference optimization (MaPO). MaPO jointly maximizes the likelihood margin between the preferred and dispreferred image sets and the likelihood of the preferred sets, simultaneously learning general stylistic features and preferences. For evaluation, we introduce two new pairwise preference datasets, which comprise self-generated image pairs from SDXL, Pick-Style and Pick-Safety, simulating diverse scenarios of reference mismatch. Our experiments validate that MaPO can significantly improve alignment on Pick-Style and Pick-Safety and general preference alignment when used with Pick-a-Pic v2, surpassing the base SDXL and other existing methods. Our code, models, and datasets are publicly available via https://mapo-t2i.github.io

Recent advancements in text-to-3D generation technology have significantly advanced the conversion of textual descriptions into imaginative well-geometrical and finely textured 3D objects. Despite these developments, a prevalent limitation arises from the use of RGB data in diffusion or reconstruction models, which often results in models with inherent lighting and shadows effects that detract from their realism, thereby limiting their usability in applications that demand accurate relighting capabilities. To bridge this gap, we present UniDream, a text-to-3D generation framework by incorporating unified diffusion priors. Our approach consists of three main components: (1) a dual-phase training process to get albedo-normal aligned multi-view diffusion and reconstruction models, (2) a progressive generation procedure for geometry and albedo-textures based on Score Distillation Sample (SDS) using the trained reconstruction and diffusion models, and (3) an innovative application of SDS for finalizing PBR generation while keeping a fixed albedo based on Stable Diffusion model. Extensive evaluations demonstrate that UniDream surpasses existing methods in generating 3D objects with clearer albedo textures, smoother surfaces, enhanced realism, and superior relighting capabilities.

Diffusion models have revolutionized generative modeling in continuous domains like image, audio, and video synthesis. However, their iterative sampling process leads to slow generation and inefficient training, challenges that are further exacerbated when incorporating Reinforcement Learning from Human Feedback (RLHF) due to sparse rewards and long time horizons. Consistency models address these issues by enabling single-step or efficient multi-step generation, significantly reducing computational costs. In this work, we propose a direct reward optimization framework for applying RLHF to consistency models, incorporating distributional regularization to enhance training stability and prevent reward hacking. We investigate various f-divergences as regularization strategies, striking a balance between reward maximization and model consistency. Unlike policy gradient methods, our approach leverages first-order gradients, making it more efficient and less sensitive to hyperparameter tuning. Empirical results show that our method achieves competitive or superior performance compared to policy gradient based RLHF methods, across various automatic metrics and human evaluation. Additionally, our analysis demonstrates the impact of different regularization techniques in improving model generalization and preventing overfitting.

Context. Extreme-ultraviolet (EUV) observations have revealed small-scale transient brightenings that may share common physical mechanisms with larger-scale solar flares. A notable feature of solar and stellar flares is the presence of quasi-periodic pulsations (QPPs), which are considered a common and potentially intrinsic characteristic. Aims. We investigate the properties of QPPs detected in EUV brightenings, which are considered small-scale flares, and compare their statistical properties with those observed in solar and stellar flares. Methods. We extracted integrated light curves of 22,623 EUV brightenings in two quiet Sun regions observed by the Solar Orbiter/Extreme Ultraviolet Imager and identified QPPs in their light curves using Fourier analysis. Results. Approximately 2.7 % of the EUV brightenings exhibited stationary QPPs. The QPP occurrence rate increased with the surface area, lifetime, and peak brightness of the EUV brightenings. The detected QPP periods ranged from approximately 15 to 260 seconds, which is comparable to the periods observed in solar and stellar flares. Consistent with observations of QPPs in solar and stellar flares, no correlation was found between the QPP period and peak brightness. However, unlike the trend observed in solar flares, no correlation was found between the QPP period and lifetime/length scale. Conclusions. The presence of QPPs in EUV brightenings supports the interpretation that these events may be small-scale manifestations of flares, and the absence of period scaling with loop length further suggests that standing waves may not be the primary driver of QPPs in these events.

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

We propose progressive radiance distillation, an inverse rendering method that combines physically-based rendering with Gaussian-based radiance field rendering using a distillation progress map. Taking multi-view images as input, our method starts from a pre-trained radiance field guidance, and distills physically-based light and material parameters from the radiance field using an image-fitting process. The distillation progress map is initialized to a small value, which favors radiance field rendering. During early iterations when fitted light and material parameters are far from convergence, the radiance field fallback ensures the sanity of image loss gradients and avoids local minima that attracts under-fit states. As fitted parameters converge, the physical model gradually takes over and the distillation progress increases correspondingly. In presence of light paths unmodeled by the physical model, the distillation progress never finishes on affected pixels and the learned radiance field stays in the final rendering. With this designed tolerance for physical model limitations, we prevent unmodeled color components from leaking into light and material parameters, alleviating relighting artifacts. Meanwhile, the remaining radiance field compensates for the limitations of the physical model, guaranteeing high-quality novel views synthesis. Experimental results demonstrate that our method significantly outperforms state-of-the-art techniques quality-wise in both novel view synthesis and relighting. The idea of progressive radiance distillation is not limited to Gaussian splatting. We show that it also has positive effects for prominently specular scenes when adapted to a mesh-based inverse rendering method.

New light particles have received considerable attention in recent years. Baryon-number-violating (BNV) nucleon decays involving such light particles are able to provide stringent constraints. They exhibit distinctive experimental signatures that merit thorough investigation. We systematically investigate BNV nucleon decay with a light scalar in an effective field theory framework. Within this framework, we set stringent bounds on BNV operators using available experimental data and predict the occurrence of several BNV three-body nucleon decays. We further study contributions to dinucleon to dilepton transitions in a nucleus mediated by the scalar, which complements single nucleon decay. Finally, we provide three ultraviolet-complete models that can generate different subsets of BNV operators in leading order. Our theoretical framework will facilitate experimental searches for those exotic nucleon decays.

Isotopic substitution in molecular systems can affect fundamental molecular properties including the energy position and spacing of electronic, vibrational and rotational levels, thus modifying the dynamics associated to their coherent superposition. In extreme ultraviolet spectroscopy, the photoelectron leaving the molecule after the absorption of a single photon can trigger an ultrafast nuclear motion in the cation, which can lead, eventually, to molecular fragmentation. This dynamics depends on the mass of the constituents of the cation, thus showing, in general, a significant isotopic dependence. In time-resolved attosecond photoelectron interferometry, the absorption of the extreme ultraviolet photon is accompanied by the exchange of an additional quantum of energy (typically in the infrared spectral range) with the photoelectron-photoion system, offering the opportunity to investigate in time the influence of isotopic substitution on the characteristics of the photoionisation dynamics. Here we show that attosecond photoelectron interferometry is sensitive to isotopic substitution by investigating the two-color photoionisation spectra measured in a mixture of methane (CH_4) and deuteromethane (CD_4). The isotopic dependence manifests itself in the modification of the amplitude and contrast of the oscillations of the photoelectron peaks generated in the two-color field with the two isotopologues. The observed effects are interpreted considering the differences in the time evolution of the nuclear autocorrelation functions in the two molecules.

For learned image representations, basic autoencoders often produce blurry results. Reconstruction quality can be improved by incorporating additional penalties such as adversarial (GAN) and perceptual losses. Arguably, these approaches lack a principled interpretation. Concurrently, in generative settings diffusion has demonstrated a remarkable ability to create crisp, high quality results and has solid theoretical underpinnings (from variational inference to direct study as the Fisher Divergence). Our work combines autoencoder representation learning with diffusion and is, to our knowledge, the first to demonstrate the efficacy of jointly learning a continuous encoder and decoder under a diffusion-based loss. We demonstrate that this approach yields better reconstruction quality as compared to GAN-based autoencoders while being easier to tune. We also show that the resulting representation is easier to model with a latent diffusion model as compared to the representation obtained from a state-of-the-art GAN-based loss. Since our decoder is stochastic, it can generate details not encoded in the otherwise deterministic latent representation; we therefore name our approach "Sample what you can't compress", or SWYCC for short.

We investigate the relationship between the Lyman-alpha (Lya) forest transmission in the intergalactic medium (IGM) and the environmental density of galaxies, focusing on its implications for the measurement of ionizing radiation escape fractions. Using a sample of 268 spectroscopically confirmed background galaxies at 2.7<z<3.0 and a galaxy density map at z~2.5 within the COSMOS field, we measure the Lya transmission photometrically, leveraging the multiwavelength data available from the COSMOS2020 catalog. Our results reveal a weak but statistically significant positive correlation between Lya optical depth and galaxy density contrast, suggesting that overdense regions are enriched in neutral gas, which could bias escape fraction measurements. This emphasizes the need to account for the large-scale structure of the IGM in analyses of ionizing radiation escape fractions, and highlights the advantages of a photometric approach for increasing the number of sampled lines of sight across large fields. The photometric redshifts provided by upcoming all-sky surveys, such as Euclid, will make it possible to account for this effect across widely separated fields.

Despite the impressive generalization capabilities of deep neural networks, they have been repeatedly shown to be overconfident when they are wrong. Fixing this issue is known as model calibration, and has consequently received much attention in the form of modified training schemes and post-training calibration procedures such as temperature scaling. While temperature scaling is frequently used because of its simplicity, it is often outperformed by modified training schemes. In this work, we identify a specific bottleneck for the performance of temperature scaling. We show that for empirical risk minimizers for a general set of distributions in which the supports of classes have overlaps, the performance of temperature scaling degrades with the amount of overlap between classes, and asymptotically becomes no better than random when there are a large number of classes. On the other hand, we prove that optimizing a modified form of the empirical risk induced by the Mixup data augmentation technique can in fact lead to reasonably good calibration performance, showing that training-time calibration may be necessary in some situations. We also verify that our theoretical results reflect practice by showing that Mixup significantly outperforms empirical risk minimization (with respect to multiple calibration metrics) on image classification benchmarks with class overlaps introduced in the form of label noise.

We propose VDN-NeRF, a method to train neural radiance fields (NeRFs) for better geometry under non-Lambertian surface and dynamic lighting conditions that cause significant variation in the radiance of a point when viewed from different angles. Instead of explicitly modeling the underlying factors that result in the view-dependent phenomenon, which could be complex yet not inclusive, we develop a simple and effective technique that normalizes the view-dependence by distilling invariant information already encoded in the learned NeRFs. We then jointly train NeRFs for view synthesis with view-dependence normalization to attain quality geometry. Our experiments show that even though shape-radiance ambiguity is inevitable, the proposed normalization can minimize its effect on geometry, which essentially aligns the optimal capacity needed for explaining view-dependent variations. Our method applies to various baselines and significantly improves geometry without changing the volume rendering pipeline, even if the data is captured under a moving light source. Code is available at: https://github.com/BoifZ/VDN-NeRF.

Diffusion models have emerged as a powerful paradigm for modern generative modeling, demonstrating strong potential for large language models (LLMs). Unlike conventional autoregressive (AR) models that generate tokens sequentially, diffusion models enable parallel token sampling, leading to faster generation and eliminating left-to-right generation constraints. Despite their empirical success, the theoretical understanding of diffusion model approaches remains underdeveloped. In this work, we develop convergence guarantees for diffusion language models from an information-theoretic perspective. Our analysis demonstrates that the sampling error, measured by the Kullback-Leibler (KL) divergence, decays inversely with the number of iterations T and scales linearly with the mutual information between tokens in the target text sequence. In particular, we establish matching upper and lower bounds, up to some constant factor, to demonstrate the tightness of our convergence analysis. These results offer novel theoretical insights into the practical effectiveness of diffusion language models.

Video-text retrieval is a class of cross-modal representation learning problems, where the goal is to select the video which corresponds to the text query between a given text query and a pool of candidate videos. The contrastive paradigm of vision-language pretraining has shown promising success with large-scale datasets and unified transformer architecture, and demonstrated the power of a joint latent space. Despite this, the intrinsic divergence between the visual domain and textual domain is still far from being eliminated, and projecting different modalities into a joint latent space might result in the distorting of the information inside the single modality. To overcome the above issue, we present a novel mechanism for learning the translation relationship from a source modality space S to a target modality space T without the need for a joint latent space, which bridges the gap between visual and textual domains. Furthermore, to keep cycle consistency between translations, we adopt a cycle loss involving both forward translations from S to the predicted target space T', and backward translations from T' back to S. Extensive experiments conducted on MSR-VTT, MSVD, and DiDeMo datasets demonstrate the superiority and effectiveness of our LaT approach compared with vanilla state-of-the-art methods.

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

We consider N classical particles interacting via the Coulomb potential in spatial dimension d and in the presence of an external trap, at equilibrium at inverse temperature beta. In the large N limit, the particles are confined within a droplet of finite size. We study smooth linear statistics, i.e. the fluctuations of sums of the form {cal L}_N = sum_{i=1}^N f({bf x}_i), where {bf x}_i's are the positions of the particles and where f({bf x}_i) is a sufficiently regular function. There exists at present standard results for the first and second moments of {cal L}_N in the large N limit, as well as associated Central Limit Theorems in general dimension and for a wide class of confining potentials. Here we obtain explicit expressions for the higher order cumulants of {cal L}_N at large N, when the function f({bf x})=f(|{bf x}|) and the confining potential are both rotationnally invariant. A remarkable feature of our results is that these higher cumulants depend only on the value of f'(|{bf x}|) and its higher order derivatives evaluated exactly at the boundary of the droplet, which in this case is a d-dimensional sphere. In the particular two-dimensional case d=2 at the special value beta=2, a connection to the Ginibre ensemble allows us to derive these results in an alternative way using the tools of determinantal point processes. Finally we also obtain the large deviation form of the full probability distribution function of {cal L}_N.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

Recently, diffusion models have made significant strides in synthesizing realistic 2D human images based on provided text prompts. Building upon this, researchers have extended 2D text-to-image diffusion models into the 3D domain for generating human textures (UV Maps). However, some important problems about UV Map Generative models are still not solved, i.e., how to generate personalized texture maps for any given face image, and how to define and evaluate the quality of these generated texture maps. To solve the above problems, we introduce a novel method, UVMap-ID, which is a controllable and personalized UV Map generative model. Unlike traditional large-scale training methods in 2D, we propose to fine-tune a pre-trained text-to-image diffusion model which is integrated with a face fusion module for achieving ID-driven customized generation. To support the finetuning strategy, we introduce a small-scale attribute-balanced training dataset, including high-quality textures with labeled text and Face ID. Additionally, we introduce some metrics to evaluate the multiple aspects of the textures. Finally, both quantitative and qualitative analyses demonstrate the effectiveness of our method in controllable and personalized UV Map generation. Code is publicly available via https://github.com/twowwj/UVMap-ID.

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the latter, however, and failure to do so leads to a frequent failure mode called posterior collapse. Even in successful cases, VAEs often result in low-precision reconstructions and generated samples. The introduction of the KL-divergence weight beta can help steer the model clear of posterior collapse, but its tuning is often a trial-and-error process with no guiding metrics. Here we test the idea of using the total VAE loss of generated samples (generated loss) as the proxy metric for generation quality, the related hypothesis that VAE reconstruction from the mean latent vector tends to be a more typical example of its class than the original, and the idea of exploiting this property by augmenting training data with generated variants (augmented training). The results are mixed, but repeated encoding and decoding indeed result in qualitatively and quantitatively more typical examples from both convolutional and fully-connected MNIST VAEs, suggesting that it may be an inherent property of the VAE framework.

We consider classes of translationally invariant black hole solutions whose equations of state closely resemble that of QCD at zero chemical potential. We use these backgrounds to compute the ratio zeta/s of bulk viscosity to entropy density. For a class of black holes that exhibits a first order transition, we observe a sharp rise in zeta/s near T_c. For constructions that exhibit a smooth cross-over, like QCD does, the rise in zeta/s is more modest. We conjecture that divergences in zeta/s for black hole horizons are related to extrema of the entropy density as a function of temperature.

Creating plausible surfaces is an essential component in achieving a high degree of realism in rendering. To relieve artists, who create these surfaces in a time-consuming, manual process, automated retrieval of the spatially-varying Bidirectional Reflectance Distribution Function (SVBRDF) from a single mobile phone image is desirable. By leveraging a deep neural network, this casual capturing method can be achieved. The trained network can estimate per pixel normal, base color, metallic and roughness parameters from the Disney BRDF. The input image is taken with a mobile phone lit by the camera flash. The network is trained to compensate for environment lighting and thus learned to reduce artifacts introduced by other light sources. These losses contain a multi-scale discriminator with an additional perceptual loss, a rendering loss using a differentiable renderer, and a parameter loss. Besides the local precision, this loss formulation generates material texture maps which are globally more consistent. The network is set up as a generator network trained in an adversarial fashion to ensure that only plausible maps are produced. The estimated parameters not only reproduce the material faithfully in rendering but capture the style of hand-authored materials due to the more global loss terms compared to previous works without requiring additional post-processing. Both the resolution and the quality is improved.

A core sample of 59 unobscured type 1 AGNs with simultaneous XMM-Newton X-ray and UV observations is compiled from archive to probe the nature of soft X-ray excess (SE). In the first paper of this series, our focus centers on scrutinizing the spectral profile of the soft excess. Of the sources, approx 71% (42/59) exhibit powerlaw-like (po-like) soft excess, while approx 29% (17/59) exhibit blackbody-like (bb-like) soft excess. We show a cut-off powerlaw could uniformly characterize both types of soft excesses, with median Ecut of 1.40 keV for po-like and 0.14 keV for bb-like. For the first time, we report a robust and quantitative correlation between the SE profile and SE strength (the ratio of SE luminosity to that of the primary powerlaw continuum in 0.5 - 2.0 keV), indicating that stronger soft excess is more likely to be po-like, or effectively has a higher Ecut. This correlation cannot be explained by ionized disk reflection alone, which produces mostly bb-like soft excess (Ecut sim 0.1 keV) as revealed by relxilllp simulation. Remarkably, we show with simulations that a toy hybrid scenario, where both ionized disk reflection (relxilllp, with all reflection parameters fixed at default values except for ionization of the disk) and warm corona (compTT, with temperature fixed at 1 keV) contribute to the observed soft excess, can successfully reproduce the observed correlation. This highlights the ubiquitous hybrid nature of the soft X-ray excess in AGNs, and underscores the importance of considering both components while fitting the spectra of soft excess.

Training generative adversarial networks (GANs) with limited data is challenging because the discriminator is prone to overfitting. Previously proposed differentiable augmentation demonstrates improved data efficiency of training GANs. However, the augmentation implicitly introduces undesired invariance to augmentation for the discriminator since it ignores the change of semantics in the label space caused by data transformation, which may limit the representation learning ability of the discriminator and ultimately affect the generative modeling performance of the generator. To mitigate the negative impact of invariance while inheriting the benefits of data augmentation, we propose a novel augmentation-aware self-supervised discriminator that predicts the augmentation parameter of the augmented data. Particularly, the prediction targets of real data and generated data are required to be distinguished since they are different during training. We further encourage the generator to adversarially learn from the self-supervised discriminator by generating augmentation-predictable real and not fake data. This formulation connects the learning objective of the generator and the arithmetic - harmonic mean divergence under certain assumptions. We compare our method with state-of-the-art (SOTA) methods using the class-conditional BigGAN and unconditional StyleGAN2 architectures on data-limited CIFAR-10, CIFAR-100, FFHQ, LSUN-Cat, and five low-shot datasets. Experimental results demonstrate significant improvements of our method over SOTA methods in training data-efficient GANs.

Deep Ensembles (DEs) demonstrate improved accuracy, calibration and robustness to perturbations over single neural networks partly due to their functional diversity. Particle-based variational inference (ParVI) methods enhance diversity by formalizing a repulsion term based on a network similarity kernel. However, weight-space repulsion is inefficient due to over-parameterization, while direct function-space repulsion has been found to produce little improvement over DEs. To sidestep these difficulties, we propose First-order Repulsive Deep Ensemble (FoRDE), an ensemble learning method based on ParVI, which performs repulsion in the space of first-order input gradients. As input gradients uniquely characterize a function up to translation and are much smaller in dimension than the weights, this method guarantees that ensemble members are functionally different. Intuitively, diversifying the input gradients encourages each network to learn different features, which is expected to improve the robustness of an ensemble. Experiments on image classification datasets and transfer learning tasks show that FoRDE significantly outperforms the gold-standard DEs and other ensemble methods in accuracy and calibration under covariate shift due to input perturbations.

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

Training large-scale machine learning models poses distinct system challenges, given both the size and complexity of today's workloads. Recently, many organizations training state-of-the-art Generative AI models have reported cases of instability during training, often taking the form of loss spikes. Numeric deviation has emerged as a potential cause of this training instability, although quantifying this is especially challenging given the costly nature of training runs. In this work, we develop a principled approach to understanding the effects of numeric deviation, and construct proxies to put observations into context when downstream effects are difficult to quantify. As a case study, we apply this framework to analyze the widely-adopted Flash Attention optimization. We find that Flash Attention sees roughly an order of magnitude more numeric deviation as compared to Baseline Attention at BF16 when measured during an isolated forward pass. We then use a data-driven analysis based on the Wasserstein Distance to provide upper bounds on how this numeric deviation impacts model weights during training, finding that the numerical deviation present in Flash Attention is 2-5 times less significant than low-precision training.

Large language models (LLMs) offer powerful capabilities but incur substantial computational costs, driving the need for efficient compression techniques. This study evaluates the impact of popular compression methods - Magnitude Pruning, SparseGPT, and Wanda - on the LLaMA-2-7B model, focusing on the trade-offs between model size reduction, downstream task performance, and the role of calibration data. Our findings reveal that while SparseGPT and Wanda preserve perplexity even at 50% sparsity, they suffer significant degradation on downstream tasks, highlighting the inadequacy of perplexity as the sole evaluation metric. To address this, we introduce Jensen-Shannon (JS) Divergence as a more comprehensive metric that captures nuanced changes in model behavior post-compression. We further demonstrate that task-specific calibration data significantly enhances the downstream performance of compressed models compared to general calibration data. This research underscores the necessity for diverse evaluation metrics and careful calibration data selection to fully understand the complexities of LLM compression and its implications for practical applications.

Knowledge distillation (KD) has gained a lot of attention in the field of model compression for edge devices thanks to its effectiveness in compressing large powerful networks into smaller lower-capacity models. Online distillation, in which both the teacher and the student are learning collaboratively, has also gained much interest due to its ability to improve on the performance of the networks involved. The Kullback-Leibler (KL) divergence ensures the proper knowledge transfer between the teacher and student. However, most online KD techniques present some bottlenecks under the network capacity gap. By cooperatively and simultaneously training, the models the KL distance becomes incapable of properly minimizing the teacher's and student's distributions. Alongside accuracy, critical edge device applications are in need of well-calibrated compact networks. Confidence calibration provides a sensible way of getting trustworthy predictions. We propose BD-KD: Balancing of Divergences for online Knowledge Distillation. We show that adaptively balancing between the reverse and forward divergences shifts the focus of the training strategy to the compact student network without limiting the teacher network's learning process. We demonstrate that, by performing this balancing design at the level of the student distillation loss, we improve upon both performance accuracy and calibration of the compact student network. We conducted extensive experiments using a variety of network architectures and show improvements on multiple datasets including CIFAR-10, CIFAR-100, Tiny-ImageNet, and ImageNet. We illustrate the effectiveness of our approach through comprehensive comparisons and ablations with current state-of-the-art online and offline KD techniques.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

Accurate subsurface scattering solutions require the integration of optical material properties along many complicated light paths. We present a method that learns a simple geometric approximation of random paths in a homogeneous volume of translucent material. The generated representation allows determining the absorption along the path as well as a direct lighting contribution, which is representative of all scattering events along the path. A sequence of conditional variational auto-encoders (CVAEs) is trained to model the statistical distribution of the photon paths inside a spherical region in presence of multiple scattering events. A first CVAE learns to sample the number of scattering events, occurring on a ray path inside the sphere, which effectively determines the probability of the ray being absorbed. Conditioned on this, a second model predicts the exit position and direction of the light particle. Finally, a third model generates a representative sample of photon position and direction along the path, which is used to approximate the contribution of direct illumination due to in-scattering. To accelerate the tracing of the light path through the volumetric medium toward the solid boundary, we employ a sphere-tracing strategy that considers the light absorption and is able to perform statistically accurate next-event estimation. We demonstrate efficient learning using shallow networks of only three layers and no more than 16 nodes. In combination with a GPU shader that evaluates the CVAEs' predictions, performance gains can be demonstrated for a variety of different scenarios. A quality evaluation analyzes the approximation error that is introduced by the data-driven scattering simulation and sheds light on the major sources of error in the accelerated path tracing process.

Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of the high energy barriers that separate these states. Although recent machine learning techniques are proposed to sample rare events, they are often limited to simple systems and rely on collective variables (CVs) derived from costly domain expertise. In this paper, we introduce a novel approach that trains diffusion path samplers (DPS) to address the transition path sampling (TPS) problem without requiring CVs. We reformulate the problem as an amortized sampling from the transition path distribution by minimizing the log-variance divergence between the path distribution induced by DPS and the transition path distribution. Based on the log-variance divergence, we propose learnable control variates to reduce the variance of gradient estimators and the off-policy training objective with replay buffers and simulated annealing techniques to improve sample efficiency and diversity. We also propose a scale-based equivariant parameterization of the bias forces to ensure scalability for large systems. We extensively evaluate our approach, termed TPS-DPS, on a synthetic system, small peptide, and challenging fast-folding proteins, demonstrating that it produces more realistic and diverse transition pathways than existing baselines.