Daily Papers

Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods. Yet their optimization remains comparatively underexplored: Adam is a scalable method but ignores function space geometry, while stochastic reconfiguration is principled but costly and numerically fragile in large models. To address this gap, we show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution, motivating trust-region optimization for NQS training. We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel and phase increments in the phase channel. PWO avoids explicit matrix inversion, reuses samples across multiple updates, and combines the scalability of first-order optimization with theoretical guarantees. Across Ising and frustrated J_1-J_2 one- and two-dimensional spin systems, PWO improves stability and wall-clock convergence over Adam, minSR, and SPRING. Finally, we fine-tune a 1.5B-parameter RWKV-7 model, demonstrating NQS optimization at a scale over three orders of magnitude beyond prior work.

Quantum generative models use the intrinsic probabilistic nature of quantum mechanics to learn and reproduce complex probability distributions. In this paper, we present an implementation of a 3-qubit quantum circuit Born machine trained to model a 3-bit Gaussian distribution using a Kullback-Leibler (KL) divergence loss and parameter-shift gradient optimization. The variational quantum circuit consists of layers of parameterized rotations and entangling gates, and is optimized such that the Born rule output distribution closely matches the target distribution. We detail the mathematical formulation of the model distribution, the KL divergence cost function, and the parameter-shift rule for gradient evaluation. Training results on a statevector simulator show that the KL divergence is minimized to near zero, and the final generated distribution aligns quantitatively with the target probabilities. We analyze the convergence behavior and discuss the implications for scalability and quantum advantage. Our results demonstrate the feasibility of small-scale quantum generative learning and provide insight into the training dynamics of quantum circuit models.

While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving reasoning over quantities, especially arithmetics. This has particular relevance in scientific datasets where combinations of text and numerical data are abundant. One fundamental limitation is the nature of the CE loss, which assumes a nominal (categorical) scale and thus cannot convey proximity between generated number tokens. As a remedy, we here present two versions of a number token loss. The first is based on an L_p loss between the ground truth token value and the weighted sum of the predicted class probabilities. The second loss minimizes the Wasserstein-1 distance between the distribution of the predicted output probabilities and the ground truth distribution. These regression-like losses can easily be added to any language model and extend the CE objective during training. We compare the proposed schemes on a mathematics dataset against existing tokenization, encoding, and decoding schemes for improving number representation in language models. Our results reveal a significant improvement in numerical accuracy when equipping a standard T5 model with the proposed loss schemes.

Deep neural networks have achieved success across a wide range of applications, including as models of human behavior in vision tasks. However, neural network training and human learning differ in fundamental ways, and neural networks often fail to generalize as robustly as humans do, raising questions regarding the similarity of their underlying representations. What is missing for modern learning systems to exhibit more human-like behavior? We highlight a key misalignment between vision models and humans: whereas human conceptual knowledge is hierarchically organized from fine- to coarse-scale distinctions, model representations do not accurately capture all these levels of abstraction. To address this misalignment, we first train a teacher model to imitate human judgments, then transfer human-like structure from its representations into pretrained state-of-the-art vision foundation models. These human-aligned models more accurately approximate human behavior and uncertainty across a wide range of similarity tasks, including a new dataset of human judgments spanning multiple levels of semantic abstractions. They also perform better on a diverse set of machine learning tasks, increasing generalization and out-of-distribution robustness. Thus, infusing neural networks with additional human knowledge yields a best-of-both-worlds representation that is both more consistent with human cognition and more practically useful, thus paving the way toward more robust, interpretable, and human-like artificial intelligence systems.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

A detailed measurement is made of the metallicity distributions, kinematics and dynamics of the thin and thick disks, across a large disk volume (5.0 leq R leq 15.0 kpc and |Z| leq3.0 kpc), by using the LAMOST-APOGEE red clump stars. The metallicity distributions results show that the radial metallicity gradient Delta[Fe/H]/DeltaR of the thin disk weakens with |Z| from -0.06 dex kpc^{-1} at around |Z| < 0.25 kpc to -0.02 dex kpc^{-1} at around |Z| > 2.75 kpc, while the thick disk displays a global weak positive Delta[Fe/H]/DeltaR, generally weaker than 0.01 dex kpc^{-1}. The vertical metallicity gradient Delta[Fe/H]/Delta|Z| weakened steadily from -0.36 dex kpc^{-1} at R sim 5.5 kpc to -0.05 dex kpc^{-1} at around R > 11.5 kpc for the thin disk, while the thick disk presents an almost constant value (nearly -0.06 sim -0.08 dex kpc^{-1}) for all the R bins. These results indicate the contribution of the radial migration to the disk evolution, and the obvious north-south asymmetry in [Fe/H] may be linked to the disk warp and/or the disk perturbation events. The oscillations of the corrected Delta[Fe/H]/Delta|Z| with R are likely because of the resonances with the Galactic Bar. Our detailed measurements of DeltaV_{phi}/Delta[Fe/H] indicate an "inside-out" and "upside-down" star formation scenario for the thick disk. The results of eccentricity distributions and [alpha/Fe]--velocity dispersion relations are likely to suggest that the thick disk stars require an obvious contribution from other heating mechanisms such as merger and accretion, or born in the chaotic mergers of gas-rich systems and/or turbulent interstellar medium.

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

This paper highlights the need to bring document classification benchmarking closer to real-world applications, both in the nature of data tested (X: multi-channel, multi-paged, multi-industry; Y: class distributions and label set variety) and in classification tasks considered (f: multi-page document, page stream, and document bundle classification, ...). We identify the lack of public multi-page document classification datasets, formalize different classification tasks arising in application scenarios, and motivate the value of targeting efficient multi-page document representations. An experimental study on proposed multi-page document classification datasets demonstrates that current benchmarks have become irrelevant and need to be updated to evaluate complete documents, as they naturally occur in practice. This reality check also calls for more mature evaluation methodologies, covering calibration evaluation, inference complexity (time-memory), and a range of realistic distribution shifts (e.g., born-digital vs. scanning noise, shifting page order). Our study ends on a hopeful note by recommending concrete avenues for future improvements.}

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

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

Customer Lifetime Value (CLTV) prediction is a critical task in business applications. Accurately predicting CLTV is challenging in real-world business scenarios, as the distribution of CLTV is complex and mutable. Firstly, there is a large number of users without any consumption consisting of a long-tailed part that is too complex to fit. Secondly, the small set of high-value users spent orders of magnitude more than a typical user leading to a wide range of the CLTV distribution which is hard to capture in a single distribution. Existing approaches for CLTV estimation either assume a prior probability distribution and fit a single group of distribution-related parameters for all samples, or directly learn from the posterior distribution with manually predefined buckets in a heuristic manner. However, all these methods fail to handle complex and mutable distributions. In this paper, we propose a novel optimal distribution selection model OptDist for CLTV prediction, which utilizes an adaptive optimal sub-distribution selection mechanism to improve the accuracy of complex distribution modeling. Specifically, OptDist trains several candidate sub-distribution networks in the distribution learning module (DLM) for modeling the probability distribution of CLTV. Then, a distribution selection module (DSM) is proposed to select the sub-distribution for each sample, thus making the selection automatically and adaptively. Besides, we design an alignment mechanism that connects both modules, which effectively guides the optimization. We conduct extensive experiments on both two public and one private dataset to verify that OptDist outperforms state-of-the-art baselines. Furthermore, OptDist has been deployed on a large-scale financial platform for customer acquisition marketing campaigns and the online experiments also demonstrate the effectiveness of OptDist.

Certain tasks in high-dimensional statistics become easier when the underlying distribution satisfies a local-to-global property called approximate tensorization of entropy (ATE). For example, the Glauber dynamics Markov chain of an ATE distribution mixes fast and can produce approximate samples in a small amount of time, since such a distribution satisfies a modified log-Sobolev inequality. Moreover, identity-testing for an ATE distribution requires few samples if the tester is given coordinate conditional access to the unknown distribution, as shown by Blanca, Chen, Štefankovič, and Vigoda (COLT 2023). A natural class of distributions that do not satisfy ATE consists of mixtures of (few) distributions that do satisfy ATE. We study the complexity of identity-testing and sampling for these distributions. Our main results are the following: 1. We show fast mixing of Glauber dynamics from a data-based initialization, with optimal sample complexity, for mixtures of distributions satisfying modified log-Sobolev inequalities. This extends work of Huang, Koehler, Lee, Mohanty, Rajaraman, Vuong, and Wu (STOC 2025, COLT 2025) for mixtures of distributions satisfying Poincaré inequalities. 2. Answering an open question posed by Blanca et al., we give efficient identity-testers for mixtures of ATE distributions in the coordinate-conditional sampling access model. We also give some simplifications and improvements to the original algorithm of Blanca et al.

We apply the Weibull distribution -- a two-parameter family from extreme-value theory -- as a diagnostic framework for element-wise weight magnitude distributions in transformers. At initialization, i.i.d. Gaussian weights give |w| ~ HalfNormal, yielding k ~ 1.20 via middle-80% probability-plot fit (the protocol used throughout this work). This anchor makes k a principled, architecture-independent measuring stick for training dynamics; fitting each weight matrix independently at every layer at every checkpoint enables per-component, per-layer, and per-step diagnostics that aggregate statistics cannot resolve. Applying this framework to 12 model entries spanning 7 architectural families (Pythia, OLMo-1/2, LLaMA-3, Mistral, Qwen2.5/3) reveals three findings. First, FFN modules and the attention output projection W_o -- the Transmission Class -- fall in a narrow k band: median terminal k in [1.186, 1.204] across 12 entries (cross-family CV = 0.51%), shared across SwiGLU/GeLU activations, Pre-LN/QK-Norm placements, and 70M-14B sizes. Second, the attention input projections W_q, W_k -- the Selection Class -- depart from the Weibull family, with severity shaped by storage: separately-stored Q/K (OLMo-1, OLMo-2) yields k in [0.76, 0.99] (deep); GQA models yield k in [1.10, 1.16] (mild); Pythia's merged W_qkv occupies a transitional zone tracking training budget T/tau monotonically. Third, lambda grows substantially during training and scales with sqrt(eta/lambda_wd) within the Pythia family (Pearson r = 0.94, three Transmission kinds), directionally consistent with Fan et al. (2025). The two parameters carry independent information: k labels the functional class, lambda labels training progress. We release npm-weibull-py v0.4 (Python library) and DATABASE_v9_1 at https://github.com/tiexinding/NPM-Weibull-public .

We study the problem of predicting numeric labels that are constrained to the integers or to a subrange of the integers. For example, the number of up-votes on social media posts, or the number of bicycles available at a public rental station. While it is possible to model these as continuous values, and to apply traditional regression, this approach changes the underlying distribution on the labels from discrete to continuous. Discrete distributions have certain benefits, which leads us to the question whether such integer labels can be modeled directly by a discrete distribution, whose parameters are predicted from the features of a given instance. Moreover, we focus on the use case of output distributions of neural networks, which adds the requirement that the parameters of the distribution be continuous so that backpropagation and gradient descent may be used to learn the weights of the network. We investigate several options for such distributions, some existing and some novel, and test them on a range of tasks, including tabular learning, sequential prediction and image generation. We find that overall the best performance comes from two distributions: Bitwise, which represents the target integer in bits and places a Bernoulli distribution on each, and a discrete analogue of the Laplace distribution, which uses a distribution with exponentially decaying tails around a continuous mean.

Learning a transport model that maps a source distribution to a target distribution is a canonical problem in machine learning, but scientific applications increasingly require models that can generalize to source and target distributions unseen during training. We introduce distribution-conditioned transport (DCT), a framework that conditions transport maps on learned embeddings of source and target distributions, enabling generalization to unseen distribution pairs. DCT also allows semi-supervised learning for distributional forecasting problems: because it learns from arbitrary distribution pairs, it can leverage distributions observed at only one condition to improve transport prediction. DCT is agnostic to the underlying transport mechanism, supporting models ranging from flow matching to distributional divergence-based models (e.g. Wasserstein, MMD). We demonstrate the practical performance benefits of DCT on synthetic benchmarks and four applications in biology: batch effect transfer in single-cell genomics, perturbation prediction from mass cytometry data, learning clonal transcriptional dynamics in hematopoiesis, and modeling T-cell receptor sequence evolution.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average 1-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

The modeling of probability distributions, specifically generative modeling and density estimation, has become an immensely popular subject in recent years by virtue of its outstanding performance on sophisticated data such as images and texts. Nevertheless, a theoretical understanding of its success is still incomplete. One mystery is the paradox between memorization and generalization: In theory, the model is trained to be exactly the same as the empirical distribution of the finite samples, whereas in practice, the trained model can generate new samples or estimate the likelihood of unseen samples. Likewise, the overwhelming diversity of distribution learning models calls for a unified perspective on this subject. This paper provides a mathematical framework such that all the well-known models can be derived based on simple principles. To demonstrate its efficacy, we present a survey of our results on the approximation error, training error and generalization error of these models, which can all be established based on this framework. In particular, the aforementioned paradox is resolved by proving that these models enjoy implicit regularization during training, so that the generalization error at early-stopping avoids the curse of dimensionality. Furthermore, we provide some new results on landscape analysis and the mode collapse phenomenon.