Daily Papers

We present GRAPE (Group RepresentAtional Position Encoding), a unified framework for positional encoding based on group actions. GRAPE brings together two families of mechanisms: (i) multiplicative rotations (Multiplicative GRAPE) in SO(d) and (ii) additive logit biases (Additive GRAPE) arising from unipotent actions in the general linear group GL. In Multiplicative GRAPE, a position n in Z (or t in R) acts as G(n)=exp(n,ω,L) with a rank-2 skew generator L in R^{d times d}, yielding a relative, compositional, norm-preserving map with a closed-form matrix exponential. RoPE is recovered exactly when the d/2 planes are the canonical coordinate pairs with log-uniform spectrum. Learned commuting subspaces and compact non-commuting mixtures strictly extend this geometry to capture cross-subspace feature coupling at O(d) and O(r d) cost per head, respectively. In Additive GRAPE, additive logits arise as rank-1 (or low-rank) unipotent actions, recovering ALiBi and the Forgetting Transformer (FoX) as exact special cases while preserving an exact relative law and streaming cacheability. Altogether, GRAPE supplies a principled design space for positional geometry in long-context models, subsuming RoPE and ALiBi as special cases. Project Page: https://github.com/model-architectures/GRAPE.

Mixture models are traditionally represented and learned by adding several distributions as components. Allowing mixtures to subtract probability mass or density can drastically reduce the number of components needed to model complex distributions. However, learning such subtractive mixtures while ensuring they still encode a non-negative function is challenging. We investigate how to learn and perform inference on deep subtractive mixtures by squaring them. We do this in the framework of probabilistic circuits, which enable us to represent tensorized mixtures and generalize several other subtractive models. We theoretically prove that the class of squared circuits allowing subtractions can be exponentially more expressive than traditional additive mixtures; and, we empirically show this increased expressiveness on a series of real-world distribution estimation tasks.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

We study the problem of approximate sampling from non-log-concave distributions, e.g., Gaussian mixtures, which is often challenging even in low dimensions due to their multimodality. We focus on performing this task via Markov chain Monte Carlo (MCMC) methods derived from discretizations of the overdamped Langevin diffusions, which are commonly known as Langevin Monte Carlo algorithms. Furthermore, we are also interested in two nonsmooth cases for which a large class of proximal MCMC methods have been developed: (i) a nonsmooth prior is considered with a Gaussian mixture likelihood; (ii) a Laplacian mixture distribution. Such nonsmooth and non-log-concave sampling tasks arise from a wide range of applications to Bayesian inference and imaging inverse problems such as image deconvolution. We perform numerical simulations to compare the performance of most commonly used Langevin Monte Carlo algorithms.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

This paper proposes a novel method for deep learning based on the analytical convolution of multidimensional Gaussian mixtures. In contrast to tensors, these do not suffer from the curse of dimensionality and allow for a compact representation, as data is only stored where details exist. Convolution kernels and data are Gaussian mixtures with unconstrained weights, positions, and covariance matrices. Similar to discrete convolutional networks, each convolution step produces several feature channels, represented by independent Gaussian mixtures. Since traditional transfer functions like ReLUs do not produce Gaussian mixtures, we propose using a fitting of these functions instead. This fitting step also acts as a pooling layer if the number of Gaussian components is reduced appropriately. We demonstrate that networks based on this architecture reach competitive accuracy on Gaussian mixtures fitted to the MNIST and ModelNet data sets.

Jointly identifying a mixture of discrete and continuous factors of variability without supervision is a key problem in unraveling complex phenomena. Variational inference has emerged as a promising method to learn interpretable mixture representations. However, posterior approximation in high-dimensional latent spaces, particularly for discrete factors remains challenging. Here, we propose an unsupervised variational framework using multiple interacting networks called cpl-mixVAE that scales well to high-dimensional discrete settings. In this framework, the mixture representation of each network is regularized by imposing a consensus constraint on the discrete factor. We justify the use of this framework by providing both theoretical and experimental results. Finally, we use the proposed method to jointly uncover discrete and continuous factors of variability describing gene expression in a single-cell transcriptomic dataset profiling more than a hundred cortical neuron types.

In this paper, we address the problem of generalized category discovery (GCD), \ie, given a set of images where part of them are labelled and the rest are not, the task is to automatically cluster the images in the unlabelled data, leveraging the information from the labelled data, while the unlabelled data contain images from the labelled classes and also new ones. GCD is similar to semi-supervised learning (SSL) but is more realistic and challenging, as SSL assumes all the unlabelled images are from the same classes as the labelled ones. We also do not assume the class number in the unlabelled data is known a-priori, making the GCD problem even harder. To tackle the problem of GCD without knowing the class number, we propose an EM-like framework that alternates between representation learning and class number estimation. We propose a semi-supervised variant of the Gaussian Mixture Model (GMM) with a stochastic splitting and merging mechanism to dynamically determine the prototypes by examining the cluster compactness and separability. With these prototypes, we leverage prototypical contrastive learning for representation learning on the partially labelled data subject to the constraints imposed by the labelled data. Our framework alternates between these two steps until convergence. The cluster assignment for an unlabelled instance can then be retrieved by identifying its nearest prototype. We comprehensively evaluate our framework on both generic image classification datasets and challenging fine-grained object recognition datasets, achieving state-of-the-art performance.

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

The substantial training cost of diffusion models hinders their deployment. Immiscible Diffusion recently showed that reducing diffusion trajectory mixing in the noise space via linear assignment accelerates training by simplifying denoising. To extend immiscible diffusion beyond the inefficient linear assignment under high batch sizes and high dimensions, we refine this concept to a broader miscibility reduction at any layer and by any implementation. Specifically, we empirically demonstrate the bijective nature of the denoising process with respect to immiscible diffusion, ensuring its preservation of generative diversity. Moreover, we provide thorough analysis and show step-by-step how immiscibility eases denoising and improves efficiency. Extending beyond linear assignment, we propose a family of implementations including K-nearest neighbor (KNN) noise selection and image scaling to reduce miscibility, achieving up to >4x faster training across diverse models and tasks including unconditional/conditional generation, image editing, and robotics planning. Furthermore, our analysis of immiscibility offers a novel perspective on how optimal transport (OT) enhances diffusion training. By identifying trajectory miscibility as a fundamental bottleneck, we believe this work establishes a potentially new direction for future research into high-efficiency diffusion training. The code is available at https://github.com/yhli123/Immiscible-Diffusion.

Learning the distribution of data on Riemannian manifolds is crucial for modeling data from non-Euclidean space, which is required by many applications in diverse scientific fields. Yet, existing generative models on manifolds suffer from expensive divergence computation or rely on approximations of heat kernel. These limitations restrict their applicability to simple geometries and hinder scalability to high dimensions. In this work, we introduce the Riemannian Diffusion Mixture, a principled framework for building a generative diffusion process on manifolds. Instead of following the denoising approach of previous diffusion models, we construct a diffusion process using a mixture of bridge processes derived on general manifolds without requiring heat kernel estimations. We develop a geometric understanding of the mixture process, deriving the drift as a weighted mean of tangent directions to the data points that guides the process toward the data distribution. We further propose a scalable training objective for learning the mixture process that readily applies to general manifolds. Our method achieves superior performance on diverse manifolds with dramatically reduced number of in-training simulation steps for general manifolds.

We study the problem of training a flow-based generative model, parametrized by a two-layer autoencoder, to sample from a high-dimensional Gaussian mixture. We provide a sharp end-to-end analysis of the problem. First, we provide a tight closed-form characterization of the learnt velocity field, when parametrized by a shallow denoising auto-encoder trained on a finite number n of samples from the target distribution. Building on this analysis, we provide a sharp description of the corresponding generative flow, which pushes the base Gaussian density forward to an approximation of the target density. In particular, we provide closed-form formulae for the distance between the mean of the generated mixture and the mean of the target mixture, which we show decays as Theta_n(1{n}). Finally, this rate is shown to be in fact Bayes-optimal.

We study the problem of privately estimating the parameters of d-dimensional Gaussian Mixture Models (GMMs) with k components. For this, we develop a technique to reduce the problem to its non-private counterpart. This allows us to privatize existing non-private algorithms in a blackbox manner, while incurring only a small overhead in the sample complexity and running time. As the main application of our framework, we develop an (varepsilon, delta)-differentially private algorithm to learn GMMs using the non-private algorithm of Moitra and Valiant [MV10] as a blackbox. Consequently, this gives the first sample complexity upper bound and first polynomial time algorithm for privately learning GMMs without any boundedness assumptions on the parameters. As part of our analysis, we prove a tight (up to a constant factor) lower bound on the total variation distance of high-dimensional Gaussians which can be of independent interest.

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.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

In this paper, we point out suboptimal noise-data mapping leads to slow training of diffusion models. During diffusion training, current methods diffuse each image across the entire noise space, resulting in a mixture of all images at every point in the noise layer. We emphasize that this random mixture of noise-data mapping complicates the optimization of the denoising function in diffusion models. Drawing inspiration from the immiscible phenomenon in physics, we propose Immiscible Diffusion, a simple and effective method to improve the random mixture of noise-data mapping. In physics, miscibility can vary according to various intermolecular forces. Thus, immiscibility means that the mixing of the molecular sources is distinguishable. Inspired by this, we propose an assignment-then-diffusion training strategy. Specifically, prior to diffusing the image data into noise, we assign diffusion target noise for the image data by minimizing the total image-noise pair distance in a mini-batch. The assignment functions analogously to external forces to separate the diffuse-able areas of images, thus mitigating the inherent difficulties in diffusion training. Our approach is remarkably simple, requiring only one line of code to restrict the diffuse-able area for each image while preserving the Gaussian distribution of noise. This ensures that each image is projected only to nearby noise. To address the high complexity of the assignment algorithm, we employ a quantized-assignment method to reduce the computational overhead to a negligible level. Experiments demonstrate that our method achieve up to 3x faster training for consistency models and DDIM on the CIFAR dataset, and up to 1.3x faster on CelebA datasets for consistency models. Besides, we conduct thorough analysis about the Immiscible Diffusion, which sheds lights on how it improves diffusion training speed while improving the fidelity.

We propose Score-of-Mixture Training (SMT), a novel framework for training one-step generative models by minimizing a class of divergences called the alpha-skew Jensen-Shannon divergence. At its core, SMT estimates the score of mixture distributions between real and fake samples across multiple noise levels. Similar to consistency models, our approach supports both training from scratch (SMT) and distillation using a pretrained diffusion model, which we call Score-of-Mixture Distillation (SMD). It is simple to implement, requires minimal hyperparameter tuning, and ensures stable training. Experiments on CIFAR-10 and ImageNet 64x64 show that SMT/SMD are competitive with and can even outperform existing methods.

The quality of generative models depends on the quality of the data they are trained on. Creating large-scale, high-quality datasets is often expensive and sometimes impossible, e.g. in certain scientific applications where there is no access to clean data due to physical or instrumentation constraints. Ambient Diffusion and related frameworks train diffusion models with solely corrupted data (which are usually cheaper to acquire) but ambient models significantly underperform models trained on clean data. We study this phenomenon at scale by training more than 80 models on data with different corruption levels across three datasets ranging from 30,000 to approx 1.3M samples. We show that it is impossible, at these sample sizes, to match the performance of models trained on clean data when only training on noisy data. Yet, a combination of a small set of clean data (e.g.~10% of the total dataset) and a large set of highly noisy data suffices to reach the performance of models trained solely on similar-size datasets of clean data, and in particular to achieve near state-of-the-art performance. We provide theoretical evidence for our findings by developing novel sample complexity bounds for learning from Gaussian Mixtures with heterogeneous variances. Our theoretical model suggests that, for large enough datasets, the effective marginal utility of a noisy sample is exponentially worse than that of a clean sample. Providing a small set of clean samples can significantly reduce the sample size requirements for noisy data, as we also observe in our experiments.

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

The task of mixture proportion estimation (MPE) is to estimate the weight of a component distribution in a mixture, given observations from both the component and mixture. Previous work on MPE adopts the irreducibility assumption, which ensures identifiablity of the mixture proportion. In this paper, we propose a more general sufficient condition that accommodates several settings of interest where irreducibility does not hold. We further present a resampling-based meta-algorithm that takes any existing MPE algorithm designed to work under irreducibility and adapts it to work under our more general condition. Our approach empirically exhibits improved estimation performance relative to baseline methods and to a recently proposed regrouping-based algorithm.

Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent progress in designing fast samplers for DPMs achieves a trade-off between sampling speed and sample quality by knowledge distillation or adjusting the variance schedule or the denoising equation. However, it can't be optimal in both aspects and often suffer from mode mixture in short steps. To tackle this problem, we innovatively regard inverse diffusion as an optimal transport (OT) problem between latents at different stages and propose the DPM-OT, a unified learning framework for fast DPMs with a direct expressway represented by OT map, which can generate high-quality samples within around 10 function evaluations. By calculating the semi-discrete optimal transport map between the data latents and the white noise, we obtain an expressway from the prior distribution to the data distribution, while significantly alleviating the problem of mode mixture. In addition, we give the error bound of the proposed method, which theoretically guarantees the stability of the algorithm. Extensive experiments validate the effectiveness and advantages of DPM-OT in terms of speed and quality (FID and mode mixture), thus representing an efficient solution for generative modeling. Source codes are available at https://github.com/cognaclee/DPM-OT

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

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

Pretraining data of large language models composes multiple domains (e.g., web texts, academic papers, codes), whose mixture proportions crucially impact the competence of outcome models. While existing endeavors rely on heuristics or qualitative strategies to tune the proportions, we discover the quantitative predictability of model performance regarding the mixture proportions in function forms, which we refer to as the data mixing laws. Fitting such functions on sample mixtures unveils model performance on unseen mixtures before actual runs, thus guiding the selection of an ideal data mixture. Furthermore, we propose nested use of the scaling laws of training steps, model sizes, and our data mixing law to enable predicting the performance of large models trained on massive data under various mixtures with only small-scale training. Moreover, experimental results verify that our method effectively optimizes the training mixture of a 1B model trained for 100B tokens in RedPajama, reaching a performance comparable to the one trained for 48% more steps on the default mixture. Extending the application of data mixing laws to continual training accurately predicts the critical mixture proportion that avoids catastrophic forgetting and outlooks the potential for dynamic data schedules

Recently, continual learning (CL) has gained significant interest because it enables deep learning models to acquire new knowledge without forgetting previously learnt information. However, most existing works require knowing the task identities and boundaries, which is not realistic in a real context. In this paper, we address a more challenging and realistic setting in CL, namely the Task-Free Continual Learning (TFCL) in which a model is trained on non-stationary data streams with no explicit task information. To address TFCL, we introduce an evolved mixture model whose network architecture is dynamically expanded to adapt to the data distribution shift. We implement this expansion mechanism by evaluating the probability distance between the knowledge stored in each mixture model component and the current memory buffer using the Hilbert Schmidt Independence Criterion (HSIC). We further introduce two simple dropout mechanisms to selectively remove stored examples in order to avoid memory overload while preserving memory diversity. Empirical results demonstrate that the proposed approach achieves excellent performance.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

We combine the capacity of sparsely gated Mixture-of-Experts (MoE) with the speed and stability of linear, mixing transformations to design the Sparse Mixer encoder model. Sparse Mixer slightly outperforms (<1%) BERT on GLUE and SuperGLUE, but more importantly trains 65% faster and runs inference 61% faster. We also present a faster variant, prosaically named Fast Sparse Mixer, that marginally underperforms BERT on SuperGLUE, but trains and runs nearly twice as fast. We justify the design of these two models by carefully ablating through various mixing mechanisms, MoE configurations and hyperparameters. Sparse Mixer overcomes many of the latency and stability concerns of MoE models and offers the prospect of serving sparse student models, without resorting to distilling them to dense variants.

User data confidentiality protection is becoming a rising challenge in the present deep learning research. Without access to data, conventional data-driven model compression faces a higher risk of performance degradation. Recently, some works propose to generate images from a specific pretrained model to serve as training data. However, the inversion process only utilizes biased feature statistics stored in one model and is from low-dimension to high-dimension. As a consequence, it inevitably encounters the difficulties of generalizability and inexact inversion, which leads to unsatisfactory performance. To address these problems, we propose MixMix based on two simple yet effective techniques: (1) Feature Mixing: utilizes various models to construct a universal feature space for generalized inversion; (2) Data Mixing: mixes the synthesized images and labels to generate exact label information. We prove the effectiveness of MixMix from both theoretical and empirical perspectives. Extensive experiments show that MixMix outperforms existing methods on the mainstream compression tasks, including quantization, knowledge distillation, and pruning. Specifically, MixMix achieves up to 4% and 20% accuracy uplift on quantization and pruning, respectively, compared to existing data-free compression work.

As foundational models reshape scientific discovery, a bottleneck persists in dynamical system reconstruction (DSR): the ability to learn across system hierarchies. Many meta-learning approaches have been applied successfully to single systems, but falter when confronted with sparse, loosely related datasets requiring multiple hierarchies to be learned. Mixture of Experts (MoE) offers a natural paradigm to address these challenges. Despite their potential, we demonstrate that naive MoEs are inadequate for the nuanced demands of hierarchical DSR, largely due to their gradient descent-based gating update mechanism which leads to slow updates and conflicted routing during training. To overcome this limitation, we introduce MixER: Mixture of Expert Reconstructors, a novel sparse top-1 MoE layer employing a custom gating update algorithm based on K-means and least squares. Extensive experiments validate MixER's capabilities, demonstrating efficient training and scalability to systems of up to ten parametric ordinary differential equations. However, our layer underperforms state-of-the-art meta-learners in high-data regimes, particularly when each expert is constrained to process only a fraction of a dataset composed of highly related data points. Further analysis with synthetic and neuroscientific time series suggests that the quality of the contextual representations generated by MixER is closely linked to the presence of hierarchical structure in the data.

Determining the optimal data mixture for large language model training remains a challenging problem with an outsized impact on performance. In practice, language model developers continue to rely on heuristic exploration since no learning-based approach has emerged as a reliable solution. In this work, we propose to view the selection of training data mixtures as a black-box hyperparameter optimization problem, for which Bayesian Optimization is a well-established class of appropriate algorithms. Firstly, we cast data mixture learning as a sequential decision-making problem, in which we aim to find a suitable trade-off between the computational cost of training exploratory (proxy-) models and final mixture performance. Secondly, we systematically explore the properties of transferring mixtures learned at a small scale to larger-scale experiments, providing insights and highlighting opportunities for research at a modest scale. By proposing Multi-fidelity Bayesian Optimization as a suitable method in this common scenario, we introduce a natural framework to balance experiment cost with model fit, avoiding the risks of overfitting to smaller scales while minimizing the number of experiments at high cost. We present results for pre-training and instruction finetuning across models ranging from 1 million to 7 billion parameters, varying from simple architectures to state-of-the-art models and benchmarks spanning dozens of datasets. We demonstrate consistently strong results relative to a wide range of baselines, resulting inspeed-ups of over 500% in determining the best data mixture on our largest experiments. In addition, we broaden access to research by sharing ADMIRE IFT Runs, a dataset of 460 full training & evaluation runs worth over 13,000 GPU hours, greatly reducing the cost of conducting research in this area.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

Kolmogorov-Arnold Networks (KANs) replace scalar weights with per-edge vectors of basis coefficients, thereby boosting expressivity and accuracy but at the same time resulting in a multiplicative increase in parameters and memory. We propose MetaCluster, a framework that makes KANs highly compressible without sacrificing accuracy. Specifically, a lightweight meta-learner, trained jointly with the KAN, is used to map low-dimensional embedding to coefficient vectors, shaping them to lie on a low-dimensional manifold that is amenable to clustering. We then run K-means in coefficient space and replace per-edge vectors with shared centroids. Afterwards, the meta-learner can be discarded, and a brief fine-tuning of the centroid codebook recovers any residual accuracy loss. The resulting model stores only a small codebook and per-edge indices, exploiting the vector nature of KAN parameters to amortize storage across multiple coefficients. On MNIST, CIFAR-10, and CIFAR-100, across standard KANs and ConvKANs using multiple basis functions, MetaCluster achieves a reduction of up to 80times in parameter storage, with no loss in accuracy. Code will be released upon publication.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

The mixture of experts (MoE) model is a sparse variant of large language models (LLMs), designed to hold a better balance between intelligent capability and computational overhead. Despite its benefits, MoE is still too expensive to deploy on resource-constrained edge devices, especially with the demands of on-device inference services. Recent research efforts often apply model compression techniques, such as quantization, pruning and merging, to restrict MoE complexity. Unfortunately, due to their predefined static model optimization strategies, they cannot always achieve the desired quality-overhead trade-off when handling multiple requests, finally degrading the on-device quality of service. These limitations motivate us to propose the D^2MoE, an algorithm-system co-design framework that matches diverse task requirements by dynamically allocating the most proper bit-width to each expert. Specifically, inspired by the nested structure of matryoshka dolls, we propose the matryoshka weight quantization (MWQ) to progressively compress expert weights in a bit-nested manner and reduce the required runtime memory. On top of it, we further optimize the I/O-computation pipeline and design a heuristic scheduling algorithm following our hottest-expert-bit-first (HEBF) principle, which maximizes the expert parallelism between I/O and computation queue under constrained memory budgets, thus significantly reducing the idle temporal bubbles waiting for the experts to load. Evaluations on real edge devices show that D^2MoE improves the overall inference throughput by up to 1.39times and reduces the peak memory footprint by up to 53% over the latest on-device inference frameworks, while still preserving comparable serving accuracy as its INT8 counterparts.

One defining characteristic of Mixture-of-Expert (MoE) models is their capacity for conducting sparse computation via expert routing, leading to remarkable scalability. However, backpropagation, the cornerstone of deep learning, requires dense computation, thereby posting challenges in MoE gradient computations. Here, we introduce SparseMixer, a scalable gradient estimator that bridges the gap between backpropagation and sparse expert routing. Unlike typical MoE training which strategically neglects certain gradient terms for the sake of sparse computation and scalability, SparseMixer provides scalable gradient approximations for these terms, enabling reliable gradient estimation in MoE training. Grounded in a numerical ODE framework, SparseMixer harnesses the mid-point method, a second-order ODE solver, to deliver precise gradient approximations with negligible computational overhead. Applying SparseMixer to Switch Transformer on both pre-training and machine translation tasks, SparseMixer showcases considerable performance gain, accelerating training convergence up to 2 times.

Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.

Minibatch optimal transport coupling straightens paths in unconditional flow matching. This leads to computationally less demanding inference as fewer integration steps and less complex numerical solvers can be employed when numerically solving an ordinary differential equation at test time. However, in the conditional setting, minibatch optimal transport falls short. This is because the default optimal transport mapping disregards conditions, resulting in a conditionally skewed prior distribution during training. In contrast, at test time, we have no access to the skewed prior, and instead sample from the full, unbiased prior distribution. This gap between training and testing leads to a subpar performance. To bridge this gap, we propose conditional optimal transport C^2OT that adds a conditional weighting term in the cost matrix when computing the optimal transport assignment. Experiments demonstrate that this simple fix works with both discrete and continuous conditions in 8gaussians-to-moons, CIFAR-10, ImageNet-32x32, and ImageNet-256x256. Our method performs better overall compared to the existing baselines across different function evaluation budgets. Code is available at https://hkchengrex.github.io/C2OT

The sparse Mixture-of-Experts (MoE) model is powerful for large-scale pre-training and has achieved promising results due to its model capacity. However, with trillions of parameters, MoE is hard to be deployed on cloud or mobile environment. The inference of MoE requires expert parallelism, which is not hardware-friendly and communication expensive. Especially for resource-limited downstream tasks, such sparse structure has to sacrifice a lot of computing efficiency for limited performance gains. In this work, we observe most experts contribute scarcely little to the MoE fine-tuning and inference. We further propose a general method to progressively drop the non-professional experts for the target downstream task, which preserves the benefits of MoE while reducing the MoE model into one single-expert dense model. Our experiments reveal that the fine-tuned single-expert model could preserve 99.3% benefits from MoE across six different types of tasks while enjoying 2x inference speed with free communication cost.

Mini-batch optimal transport (m-OT) has been successfully used in practical applications that involve probability measures with a very high number of supports. The m-OT solves several smaller optimal transport problems and then returns the average of their costs and transportation plans. Despite its scalability advantage, the m-OT does not consider the relationship between mini-batches which leads to undesirable estimation. Moreover, the m-OT does not approximate a proper metric between probability measures since the identity property is not satisfied. To address these problems, we propose a novel mini-batch scheme for optimal transport, named Batch of Mini-batches Optimal Transport (BoMb-OT), that finds the optimal coupling between mini-batches and it can be seen as an approximation to a well-defined distance on the space of probability measures. Furthermore, we show that the m-OT is a limit of the entropic regularized version of the BoMb-OT when the regularized parameter goes to infinity. Finally, we carry out experiments on various applications including deep generative models, deep domain adaptation, approximate Bayesian computation, color transfer, and gradient flow to show that the BoMb-OT can be widely applied and performs well in various applications.

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

We consider the problem of estimating the optimal transport map between two probability distributions, P and Q in mathbb R^d, on the basis of i.i.d. samples. All existing statistical analyses of this problem require the assumption that the transport map is Lipschitz, a strong requirement that, in particular, excludes any examples where the transport map is discontinuous. As a first step towards developing estimation procedures for discontinuous maps, we consider the important special case where the data distribution Q is a discrete measure supported on a finite number of points in mathbb R^d. We study a computationally efficient estimator initially proposed by Pooladian and Niles-Weed (2021), based on entropic optimal transport, and show in the semi-discrete setting that it converges at the minimax-optimal rate n^{-1/2}, independent of dimension. Other standard map estimation techniques both lack finite-sample guarantees in this setting and provably suffer from the curse of dimensionality. We confirm these results in numerical experiments, and provide experiments for other settings, not covered by our theory, which indicate that the entropic estimator is a promising methodology for other discontinuous transport map estimation problems.

In deep learning, models typically reuse the same parameters for all inputs. Mixture of Experts (MoE) defies this and instead selects different parameters for each incoming example. The result is a sparsely-activated model -- with outrageous numbers of parameters -- but a constant computational cost. However, despite several notable successes of MoE, widespread adoption has been hindered by complexity, communication costs and training instability -- we address these with the Switch Transformer. We simplify the MoE routing algorithm and design intuitive improved models with reduced communication and computational costs. Our proposed training techniques help wrangle the instabilities and we show large sparse models may be trained, for the first time, with lower precision (bfloat16) formats. We design models based off T5-Base and T5-Large to obtain up to 7x increases in pre-training speed with the same computational resources. These improvements extend into multilingual settings where we measure gains over the mT5-Base version across all 101 languages. Finally, we advance the current scale of language models by pre-training up to trillion parameter models on the "Colossal Clean Crawled Corpus" and achieve a 4x speedup over the T5-XXL model.

Large language models perform near-Bayesian inference yet violate permutation invariance on exchangeable data. We resolve this by showing transformers minimize expected conditional description length (cross-entropy) over orderings, E_pi[ell(Y mid Gamma_pi(X))], which admits a Kolmogorov-complexity interpretation up to additive constants, rather than the permutation-invariant description length ell(Y mid X). This makes them Bayesian in expectation, not in realization. We derive (i) a Quantified Martingale Violation bound showing order-induced deviations scale as O(log n) with constants; (ii) the Expectation-level Decompression Law linking information budgets to reliability for Bernoulli predicates; and (iii) deployable planners (B2T/RoH/ISR) for answer/abstain decisions. Empirically, permutation dispersion follows a+bln n (Qwen2-7B b approx 0.377, Llama-3.1-8B b approx 0.147); permutation mixtures improve ground-truth likelihood/accuracy; and randomized dose-response shows hallucinations drop by sim 0.13 per additional nat. A pre-specified audit with a fixed ISR=1.0 achieves near-0\% hallucinations via calibrated refusal at 24\% abstention. The framework turns hallucinations into predictable compression failures and enables principled information budgeting.

How to reduce compute and memory requirements of neural networks (NNs) without sacrificing performance? Many recent works use sparse Mixtures of Experts (MoEs) to build resource-efficient large language models (LMs). Here we introduce several novel perspectives on MoEs, presenting a general framework that unifies various methods to approximate two-layer NNs (e.g., feedforward blocks of Transformers), including product-key memories (PKMs). Leveraging insights from this framework, we propose methods to improve both MoEs and PKMs. Unlike prior work that compares MoEs with dense baselines under the compute-equal condition, our evaluation condition is parameter-equal, which is crucial to properly evaluate LMs. We show that our MoEs are competitive with the dense Transformer-XL on both the WikiText-103 and enwiki8 datasets at two different scales, while being much more resource efficient. This demonstrates that MoEs are relevant not only to extremely large LMs but also to any-scale resource-efficient LMs. Our code is public.

Time series forecasting is widely used in extensive applications, such as traffic planning and weather forecasting. However, real-world time series usually present intricate temporal variations, making forecasting extremely challenging. Going beyond the mainstream paradigms of plain decomposition and multiperiodicity analysis, we analyze temporal variations in a novel view of multiscale-mixing, which is based on an intuitive but important observation that time series present distinct patterns in different sampling scales. The microscopic and the macroscopic information are reflected in fine and coarse scales respectively, and thereby complex variations can be inherently disentangled. Based on this observation, we propose TimeMixer as a fully MLP-based architecture with Past-Decomposable-Mixing (PDM) and Future-Multipredictor-Mixing (FMM) blocks to take full advantage of disentangled multiscale series in both past extraction and future prediction phases. Concretely, PDM applies the decomposition to multiscale series and further mixes the decomposed seasonal and trend components in fine-to-coarse and coarse-to-fine directions separately, which successively aggregates the microscopic seasonal and macroscopic trend information. FMM further ensembles multiple predictors to utilize complementary forecasting capabilities in multiscale observations. Consequently, TimeMixer is able to achieve consistent state-of-the-art performances in both long-term and short-term forecasting tasks with favorable run-time efficiency.

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

Markov categories are a recent category-theoretic approach to the foundations of probability and statistics. Here we develop this approach further by treating infinite products and the Kolmogorov extension theorem. This is relevant for all aspects of probability theory in which infinitely many random variables appear at a time. These infinite tensor products bigotimes_{i in J} X_i come in two versions: a weaker but more general one for families of objects (X_i)_{i in J} in semicartesian symmetric monoidal categories, and a stronger but more specific one for families of objects in Markov categories. As a first application, we state and prove versions of the zero-one laws of Kolmogorov and Hewitt-Savage for Markov categories. This gives general versions of these results which can be instantiated not only in measure-theoretic probability, where they specialize to the standard ones in the setting of standard Borel spaces, but also in other contexts.

Modeling latent variables with priors and hyperpriors is an essential problem in variational image compression. Formally, trade-off between rate and distortion is handled well if priors and hyperpriors precisely describe latent variables. Current practices only adopt univariate priors and process each variable individually. However, we find inter-correlations and intra-correlations exist when observing latent variables in a vectorized perspective. These findings reveal visual redundancies to improve rate-distortion performance and parallel processing ability to speed up compression. This encourages us to propose a novel vectorized prior. Specifically, a multivariate Gaussian mixture is proposed with means and covariances to be estimated. Then, a novel probabilistic vector quantization is utilized to effectively approximate means, and remaining covariances are further induced to a unified mixture and solved by cascaded estimation without context models involved. Furthermore, codebooks involved in quantization are extended to multi-codebooks for complexity reduction, which formulates an efficient compression procedure. Extensive experiments on benchmark datasets against state-of-the-art indicate our model has better rate-distortion performance and an impressive 3.18times compression speed up, giving us the ability to perform real-time, high-quality variational image compression in practice. Our source code is publicly available at https://github.com/xiaosu-zhu/McQuic.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

With the widespread adoption of Large Language Models (LLMs), many deep learning practitioners are looking for strategies of running these models more efficiently. One such strategy is to use sparse Mixture-of-Experts (MoE) - a type of model architectures where only a fraction of model layers are active for any given input. This property allows MoE-based language models to generate tokens faster than their dense counterparts, but it also increases model size due to having multiple experts. Unfortunately, this makes state-of-the-art MoE language models difficult to run without high-end GPUs. In this work, we study the problem of running large MoE language models on consumer hardware with limited accelerator memory. We build upon parameter offloading algorithms and propose a novel strategy that accelerates offloading by taking advantage of innate properties of MoE LLMs. Using this strategy, we build can run Mixtral-8x7B with mixed quantization on desktop hardware and free-tier Google Colab instances.

In recent years, deep learning based source separation has achieved impressive results. Most studies, however, still evaluate separation models on synthetic datasets, while the performance of state-of-the-art techniques on in-the-wild speech data remains an open question. This paper contributes to fill this gap in two ways. First, we release the REAL-M dataset, a crowd-sourced corpus of real-life mixtures. Secondly, we address the problem of performance evaluation of real-life mixtures, where the ground truth is not available. We bypass this issue by carefully designing a blind Scale-Invariant Signal-to-Noise Ratio (SI-SNR) neural estimator. Through a user study, we show that our estimator reliably evaluates the separation performance on real mixtures. The performance predictions of the SI-SNR estimator indeed correlate well with human opinions. Moreover, we observe that the performance trends predicted by our estimator on the REAL-M dataset closely follow those achieved on synthetic benchmarks when evaluating popular speech separation models.

Stochastic gradient Markov Chain Monte Carlo (SGMCMC) is considered the gold standard for Bayesian inference in large-scale models, such as Bayesian neural networks. Since practitioners face speed versus accuracy tradeoffs in these models, variational inference (VI) is often the preferable option. Unfortunately, VI makes strong assumptions on both the factorization and functional form of the posterior. In this work, we propose a new non-parametric variational approximation that makes no assumptions about the approximate posterior's functional form and allows practitioners to specify the exact dependencies the algorithm should respect or break. The approach relies on a new Langevin-type algorithm that operates on a modified energy function, where parts of the latent variables are averaged over samples from earlier iterations of the Markov chain. This way, statistical dependencies can be broken in a controlled way, allowing the chain to mix faster. This scheme can be further modified in a "dropout" manner, leading to even more scalability. We test our scheme for ResNet-20 on CIFAR-10, SVHN, and FMNIST. In all cases, we find improvements in convergence speed and/or final accuracy compared to SG-MCMC and VI.

We give explicit low-rank bilinear non-commutative schemes for multiplying structured n times n matrices with 2 leq n leq 5, which serve as building blocks for recursive algorithms with improved multiplicative factors in asymptotic complexity. Our schemes are discovered over F_2 or F_3 and lifted to Z or Q. Using a flip graph search over tensor decompositions, we derive schemes for general, upper-triangular, lower-triangular, symmetric, and skew-symmetric inputs, as well as products of a structured matrix with its transpose. In particular, we obtain 4 times 4 rank-34 schemes: (i) multiplying a general matrix by its transpose using 10 recursive calls, improving the factor from 26/41 (0.634) to 8/13 (0.615); and (ii) multiplying an upper-triangular matrix by a general matrix using 12 recursive calls, improving the factor from 8/13 (0.615) to 22/37 (0.595). Additionally, using F_3 flip graphs, we discover schemes over Q that fundamentally require the inverse of 2, including a 2 times 2 symmetric-symmetric multiplication of rank 5 and a 3 times 3 skew-symmetric-general multiplication of rank 14 (improving upon AlphaTensor's 15).

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

Mixture of Experts (MoE) architectures have significantly increased computational efficiency in both research and real-world applications of large-scale machine learning models. However, their scalability and efficiency under memory constraints remain relatively underexplored. In this work, we present joint scaling laws for dense and MoE models, incorporating key factors such as the number of active parameters, dataset size, and the number of experts. Our findings provide a principled framework for selecting the optimal MoE configuration under fixed memory and compute budgets. Surprisingly, we show that MoE models can be more memory-efficient than dense models, contradicting conventional wisdom. To derive and validate the theoretical predictions of our scaling laws, we conduct over 280 experiments with up to 2.7B active parameters and up to 5B total parameters. These results offer actionable insights for designing and deploying MoE models in practical large-scale training scenarios.

Large language models exhibit exceptional generalization capabilities, primarily attributed to the utilization of diversely sourced data. However, conventional practices in integrating this diverse data heavily rely on heuristic schemes, lacking theoretical guidance. This research tackles these limitations by investigating strategies based on low-cost proxies for data mixtures, with the aim of streamlining data curation to enhance training efficiency. Specifically, we propose a unified scaling law, termed BiMix, which accurately models the bivariate scaling behaviors of both data quantity and mixing proportions. We conduct systematic experiments and provide empirical evidence for the predictive power and fundamental principles of BiMix. Notably, our findings reveal that entropy-driven training-free data mixtures can achieve comparable or even better performance than more resource-intensive methods. We hope that our quantitative insights can shed light on further judicious research and development in cost-effective language modeling.

This work presents a fast and scalable algorithm for incremental learning of Gaussian mixture models. By performing rank-one updates on its precision matrices and determinants, its asymptotic time complexity is of NKD^2 for N data points, K Gaussian components and D dimensions. The resulting algorithm can be applied to high dimensional tasks, and this is confirmed by applying it to the classification datasets MNIST and CIFAR-10. Additionally, in order to show the algorithm's applicability to function approximation and control tasks, it is applied to three reinforcement learning tasks and its data-efficiency is evaluated.

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

High-performance learned image compression codecs require flexible probability models to fit latent representations. Gaussian Mixture Models (GMMs) were proposed to satisfy this demand, but suffer from a significant runtime performance bottleneck due to the large Cumulative Distribution Function (CDF) tables that must be built for rANS coding. This paper introduces a fast coding algorithm that entirely eliminates this bottleneck. By leveraging the CDF's monotonic property, our decoder performs a dynamic binary search to find the correct symbol, eliminating the need for costly table construction and lookup. Aided by SIMD optimizations and numerical approximations, our approach accelerates the GMM entropy coding process by up to approximately 90x without compromising rate-distortion performance, significantly improving the practicality of GMM-based codecs. The implementation will be made publicly available at https://github.com/tokkiwa/FlashGMM.

Conditional flow matching (CFM) has emerged as a powerful framework for training continuous normalizing flows due to its computational efficiency and effectiveness. However, standard CFM often produces paths that deviate significantly from straight-line interpolations between prior and target distributions, making generation slower and less accurate due to the need for fine discretization at inference. Recent methods enhance CFM performance by inducing shorter and straighter trajectories but typically rely on computationally expensive mini-batch optimal transport (OT). Drawing insights from entropic optimal transport (EOT), we propose Weighted Conditional Flow Matching (W-CFM), a novel approach that modifies the classical CFM loss by weighting each training pair (x, y) with a Gibbs kernel. We show that this weighting recovers the entropic OT coupling up to some bias in the marginals, and we provide the conditions under which the marginals remain nearly unchanged. Moreover, we establish an equivalence between W-CFM and the minibatch OT method in the large-batch limit, showing how our method overcomes computational and performance bottlenecks linked to batch size. Empirically, we test our method on unconditional generation on various synthetic and real datasets, confirming that W-CFM achieves comparable or superior sample quality, fidelity, and diversity to other alternative baselines while maintaining the computational efficiency of vanilla CFM.

Pretrained language models (LMs) have shown compelling performance on various downstream tasks, but unfortunately they require a tremendous amount of inference compute. Knowledge distillation finds a path to compress LMs to small ones with a teacher-student paradigm. However, when the capacity gap between the teacher and the student is large, a curse of capacity gap appears, invoking a deficiency in distilling LMs. While a few studies have been carried out to fill the gap, the curse is not yet well tackled. In this paper, we aim at lifting the curse of capacity gap via enlarging the capacity of the student without notably increasing the inference compute. Largely motivated by sparse activation regime of mixture of experts (MoE), we propose a mixture of minimal experts (MiniMoE), which imposes extra parameters to the student but introduces almost no additional inference compute. Experimental results on GLUE and CoNLL demonstrate the curse of capacity gap is lifted by the magic of MiniMoE to a large extent. MiniMoE also achieves the state-of-the-art performance at small FLOPs compared with a range of competitive baselines. With a compression rate as much as sim50times, MiniMoE preserves sim95\% GLUE score of the teacher.

Dataset distillation has emerged as a powerful approach for reducing data requirements in deep learning. Among various methods, distribution matching-based approaches stand out for their balance of computational efficiency and strong performance. However, existing distance metrics used in distribution matching often fail to accurately capture distributional differences, leading to unreliable measures of discrepancy. In this paper, we reformulate dataset distillation as a minmax optimization problem and introduce Neural Characteristic Function Discrepancy (NCFD), a comprehensive and theoretically grounded metric for measuring distributional differences. NCFD leverages the Characteristic Function (CF) to encapsulate full distributional information, employing a neural network to optimize the sampling strategy for the CF's frequency arguments, thereby maximizing the discrepancy to enhance distance estimation. Simultaneously, we minimize the difference between real and synthetic data under this optimized NCFD measure. Our approach, termed Neural Characteristic Function Matching (), inherently aligns the phase and amplitude of neural features in the complex plane for both real and synthetic data, achieving a balance between realism and diversity in synthetic samples. Experiments demonstrate that our method achieves significant performance gains over state-of-the-art methods on both low- and high-resolution datasets. Notably, we achieve a 20.5\% accuracy boost on ImageSquawk. Our method also reduces GPU memory usage by over 300times and achieves 20times faster processing speeds compared to state-of-the-art methods. To the best of our knowledge, this is the first work to achieve lossless compression of CIFAR-100 on a single NVIDIA 2080 Ti GPU using only 2.3 GB of memory.

In this paper, we construct a mixture of neural operators (MoNOs) between function spaces whose complexity is distributed over a network of expert neural operators (NOs), with each NO satisfying parameter scaling restrictions. Our main result is a distributed universal approximation theorem guaranteeing that any Lipschitz non-linear operator between L^2([0,1]^d) spaces can be approximated uniformly over the Sobolev unit ball therein, to any given varepsilon>0 accuracy, by an MoNO while satisfying the constraint that: each expert NO has a depth, width, and rank of O(varepsilon^{-1}). Naturally, our result implies that the required number of experts must be large, however, each NO is guaranteed to be small enough to be loadable into the active memory of most computers for reasonable accuracies varepsilon. During our analysis, we also obtain new quantitative expression rates for classical NOs approximating uniformly continuous non-linear operators uniformly on compact subsets of L^2([0,1]^d).

We study the problem of learning mixtures of Gaussians with censored data. Statistical learning with censored data is a classical problem, with numerous practical applications, however, finite-sample guarantees for even simple latent variable models such as Gaussian mixtures are missing. Formally, we are given censored data from a mixture of univariate Gaussians $sum_{i=1}^k w_i N(mu_i,sigma^2), i.e. the sample is observed only if it lies inside a set S. The goal is to learn the weights w_i and the means \mu_i. We propose an algorithm that takes only 1{\varepsilon^{O(k)}} samples to estimate the weights w_i and the means \mu_i within \varepsilon$ error.

Large Language Models (LLMs) such as ChatGPT and LlaMA are advancing rapidly in generative Artificial Intelligence (AI), but their immense size poses significant challenges, such as huge training and inference costs, substantial energy demands, and limitations for on-site deployment. Traditional compression methods such as pruning, distillation, and low-rank approximation focus on reducing the effective number of neurons in the network, while quantization focuses on reducing the numerical precision of individual weights to reduce the model size while keeping the number of neurons fixed. While these compression methods have been relatively successful in practice, there is no compelling reason to believe that truncating the number of neurons is an optimal strategy. In this context, this paper introduces CompactifAI, an innovative LLM compression approach using quantum-inspired Tensor Networks that focuses on the model's correlation space instead, allowing for a more controlled, refined and interpretable model compression. Our method is versatile and can be implemented with - or on top of - other compression techniques. As a benchmark, we demonstrate that a combination of CompactifAI with quantization allows to reduce a 93% the memory size of LlaMA 7B, reducing also 70% the number of parameters, accelerating 50% the training and 25% the inference times of the model, and just with a small accuracy drop of 2% - 3%, going much beyond of what is achievable today by other compression techniques. Our methods also allow to perform a refined layer sensitivity profiling, showing that deeper layers tend to be more suitable for tensor network compression, which is compatible with recent observations on the ineffectiveness of those layers for LLM performance. Our results imply that standard LLMs are, in fact, heavily overparametrized, and do not need to be large at all.

The Mixture of Experts architecture allows for outrageously large neural networks by scaling model parameter size independently from computational demand (FLOPs). However, current DNN frameworks cannot effectively support the dynamic data flow in Mixture of Experts, and implementations on top of these frameworks need to use workarounds that introduce significant overheads. To address the limitation of these frameworks, we present DynaMoE, a DNN library that uses dynamic recompilations to optimize and adapt the use of computational resources to the dynamic needs of Mixture of Experts models. Our evaluation shows that DynaMoE achieves a 1.8x speedup and supports 2.3x larger model sizes when compared to existing MoE systems, even when not using recompilations. We then present further optimizations enabled by dynamic recompilations that yield an additional 1.7x speedup while simultaneously reducing memory pressure and improving model quality.

We develop Markov categories as a framework for synthetic probability and statistics, following work of Golubtsov as well as Cho and Jacobs. This means that we treat the following concepts in purely abstract categorical terms: conditioning and disintegration; various versions of conditional independence and its standard properties; conditional products; almost surely; sufficient statistics; versions of theorems on sufficient statistics due to Fisher--Neyman, Basu, and Bahadur. Besides the conceptual clarity offered by our categorical setup, its main advantage is that it provides a uniform treatment of various types of probability theory, including discrete probability theory, measure-theoretic probability with general measurable spaces, Gaussian probability, stochastic processes of either of these kinds, and many others.

Recent progress in separating the speech signals from multiple overlapping speakers using a single audio channel has brought us closer to solving the cocktail party problem. However, most studies in this area use a constrained problem setup, comparing performance when speakers overlap almost completely, at artificially low sampling rates, and with no external background noise. In this paper, we strive to move the field towards more realistic and challenging scenarios. To that end, we created the WSJ0 Hipster Ambient Mixtures (WHAM!) dataset, consisting of two speaker mixtures from the wsj0-2mix dataset combined with real ambient noise samples. The samples were collected in coffee shops, restaurants, and bars in the San Francisco Bay Area, and are made publicly available. We benchmark various speech separation architectures and objective functions to evaluate their robustness to noise. While separation performance decreases as a result of noise, we still observe substantial gains relative to the noisy signals for most approaches.

Distribution Matching Distillation (DMD) distills score-based generative models into efficient one-step generators, without requiring a one-to-one correspondence with the sampling trajectories of their teachers. However, limited model capacity causes one-step distilled models underperform on complex generative tasks, e.g., synthesizing intricate object motions in text-to-video generation. Directly extending DMD to multi-step distillation increases memory usage and computational depth, leading to instability and reduced efficiency. While prior works propose stochastic gradient truncation as a potential solution, we observe that it substantially reduces the generation diversity of multi-step distilled models, bringing it down to the level of their one-step counterparts. To address these limitations, we propose Phased DMD, a multi-step distillation framework that bridges the idea of phase-wise distillation with Mixture-of-Experts (MoE), reducing learning difficulty while enhancing model capacity. Phased DMD is built upon two key ideas: progressive distribution matching and score matching within subintervals. First, our model divides the SNR range into subintervals, progressively refining the model to higher SNR levels, to better capture complex distributions. Next, to ensure the training objective within each subinterval is accurate, we have conducted rigorous mathematical derivations. We validate Phased DMD by distilling state-of-the-art image and video generation models, including Qwen-Image (20B parameters) and Wan2.2 (28B parameters). Experimental results demonstrate that Phased DMD preserves output diversity better than DMD while retaining key generative capabilities. We will release our code and models.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

As the training of giant dense models hits the boundary on the availability and capability of the hardware resources today, Mixture-of-Experts (MoE) models become one of the most promising model architectures due to their significant training cost reduction compared to a quality-equivalent dense model. Its training cost saving is demonstrated from encoder-decoder models (prior works) to a 5x saving for auto-aggressive language models (this work along with parallel explorations). However, due to the much larger model size and unique architecture, how to provide fast MoE model inference remains challenging and unsolved, limiting its practical usage. To tackle this, we present DeepSpeed-MoE, an end-to-end MoE training and inference solution as part of the DeepSpeed library, including novel MoE architecture designs and model compression techniques that reduce MoE model size by up to 3.7x, and a highly optimized inference system that provides 7.3x better latency and cost compared to existing MoE inference solutions. DeepSpeed-MoE offers an unprecedented scale and efficiency to serve massive MoE models with up to 4.5x faster and 9x cheaper inference compared to quality-equivalent dense models. We hope our innovations and systems help open a promising path to new directions in the large model landscape, a shift from dense to sparse MoE models, where training and deploying higher-quality models with fewer resources becomes more widely possible.

Data used for analytics and machine learning often take the form of tables with categorical entries. We introduce a family of lossless compression algorithms for such data that proceed in four steps: (i) Estimate latent variables associated to rows and columns; (ii) Partition the table in blocks according to the row/column latents; (iii) Apply a sequential (e.g. Lempel-Ziv) coder to each of the blocks; (iv) Append a compressed encoding of the latents. We evaluate it on several benchmark datasets, and study optimal compression in a probabilistic model for that tabular data, whereby latent values are independent and table entries are conditionally independent given the latent values. We prove that the model has a well defined entropy rate and satisfies an asymptotic equipartition property. We also prove that classical compression schemes such as Lempel-Ziv and finite-state encoders do not achieve this rate. On the other hand, the latent estimation strategy outlined above achieves the optimal rate.

Deep representation learning has become one of the most widely adopted approaches for visual search, recommendation, and identification. Retrieval of such representations from a large database is however computationally challenging. Approximate methods based on learning compact representations, have been widely explored for this problem, such as locality sensitive hashing, product quantization, and PCA. In this work, in contrast to learning compact representations, we propose to learn high dimensional and sparse representations that have similar representational capacity as dense embeddings while being more efficient due to sparse matrix multiplication operations which can be much faster than dense multiplication. Following the key insight that the number of operations decreases quadratically with the sparsity of embeddings provided the non-zero entries are distributed uniformly across dimensions, we propose a novel approach to learn such distributed sparse embeddings via the use of a carefully constructed regularization function that directly minimizes a continuous relaxation of the number of floating-point operations (FLOPs) incurred during retrieval. Our experiments show that our approach is competitive to the other baselines and yields a similar or better speed-vs-accuracy tradeoff on practical datasets.

Mixture of Experts (MoE) LLMs face significant obstacles due to their massive parameter scale, which imposes memory, storage, and deployment challenges. Although recent expert merging methods promise greater efficiency by consolidating multiple experts, they are fundamentally hindered by parameter conflicts arising from expert specialization. In this paper, we present Sub-MoE, a novel MoE compression framework via Subspace Expert Merging. Our key insight is to perform joint Singular Value Decomposition (SVD) on concatenated expert weights, reducing conflicting parameters by extracting shared U-matrices while enabling effective merging of the expert-specific V components. Specifically, Sub-MoE consists of two innovative phases: (1) Adaptive Expert Clustering, which groups functionally coherent experts via K-means clustering based on cosine similarity of expert outputs; and (2) Subspace Expert Merging, which first enforces Experts Union Decomposition to derive the shared U-matrix across experts in the same group, then pursues frequency-based merging for individual V-matrices, and finalizes expert reconstruction using the merged V-matrix. In this way, we align and fuse experts in a shared subspace, and can be extended with intra-expert compression for further inference optimization. Extensive experiments on Mixtral, DeepSeek, and Qwen-1.5|3 MoE LLMs demonstrate that our Sub-MoE significantly outperforms existing expert pruning and merging methods. Notably, our Sub-MoE maintains 96\%|86\% of original performance with 25\%|50\% expert reduction on Mixtral-8x7B in zero-shot benchmarks. Code will be released at https://github.com/lliai/MoERazor.

Finite symmetric groups S_n are essential in fields such as combinatorics, physics, and chemistry. However, learning a probability distribution over S_n poses significant challenges due to its intractable size and discrete nature. In this paper, we introduce SymmetricDiffusers, a novel discrete diffusion model that simplifies the task of learning a complicated distribution over S_n by decomposing it into learning simpler transitions of the reverse diffusion using deep neural networks. We identify the riffle shuffle as an effective forward transition and provide empirical guidelines for selecting the diffusion length based on the theory of random walks on finite groups. Additionally, we propose a generalized Plackett-Luce (PL) distribution for the reverse transition, which is provably more expressive than the PL distribution. We further introduce a theoretically grounded "denoising schedule" to improve sampling and learning efficiency. Extensive experiments show that our model achieves state-of-the-art or comparable performances on solving tasks including sorting 4-digit MNIST images, jigsaw puzzles, and traveling salesman problems. Our code is released at https://github.com/DSL-Lab/SymmetricDiffusers.

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

We introduce a theoretical framework for sampling from unnormalized densities based on a smoothing scheme that uses an isotropic Gaussian kernel with a single fixed noise scale. We prove one can decompose sampling from a density (minimal assumptions made on the density) into a sequence of sampling from log-concave conditional densities via accumulation of noisy measurements with equal noise levels. Our construction is unique in that it keeps track of a history of samples, making it non-Markovian as a whole, but it is lightweight algorithmically as the history only shows up in the form of a running empirical mean of samples. Our sampling algorithm generalizes walk-jump sampling (Saremi & Hyv\"arinen, 2019). The "walk" phase becomes a (non-Markovian) chain of (log-concave) Markov chains. The "jump" from the accumulated measurements is obtained by empirical Bayes. We study our sampling algorithm quantitatively using the 2-Wasserstein metric and compare it with various Langevin MCMC algorithms. We also report a remarkable capacity of our algorithm to "tunnel" between modes of a distribution.

Diffusion models excel in high-quality generation but suffer from slow inference due to iterative sampling. While recent methods have successfully transformed diffusion models into one-step generators, they neglect model size reduction, limiting their applicability in compute-constrained scenarios. This paper aims to develop small, efficient one-step diffusion models based on the powerful rectified flow framework, by exploring joint compression of inference steps and model size. The rectified flow framework trains one-step generative models using two operations, reflow and distillation. Compared with the original framework, squeezing the model size brings two new challenges: (1) the initialization mismatch between large teachers and small students during reflow; (2) the underperformance of naive distillation on small student models. To overcome these issues, we propose Annealing Reflow and Flow-Guided Distillation, which together comprise our SlimFlow framework. With our novel framework, we train a one-step diffusion model with an FID of 5.02 and 15.7M parameters, outperforming the previous state-of-the-art one-step diffusion model (FID=6.47, 19.4M parameters) on CIFAR10. On ImageNet 64times64 and FFHQ 64times64, our method yields small one-step diffusion models that are comparable to larger models, showcasing the effectiveness of our method in creating compact, efficient one-step diffusion models.

Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to discretization error and tend to produce over-saturated colors under classifier-free guidance (CFG). To address these limitations, we propose a novel Gaussian mixture flow matching (GMFlow) model: instead of predicting the mean, GMFlow predicts dynamic Gaussian mixture (GM) parameters to capture a multi-modal flow velocity distribution, which can be learned with a KL divergence loss. We demonstrate that GMFlow generalizes previous diffusion and flow matching models where a single Gaussian is learned with an L_2 denoising loss. For inference, we derive GM-SDE/ODE solvers that leverage analytic denoising distributions and velocity fields for precise few-step sampling. Furthermore, we introduce a novel probabilistic guidance scheme that mitigates the over-saturation issues of CFG and improves image generation quality. Extensive experiments demonstrate that GMFlow consistently outperforms flow matching baselines in generation quality, achieving a Precision of 0.942 with only 6 sampling steps on ImageNet 256times256.

Sparsely activated Mixture-of-Experts (SMoE) has shown promise to scale up the learning capacity of neural networks, however, they have issues like (a) High Memory Usage, due to duplication of the network layers into multiple copies as experts; and (b) Redundancy in Experts, as common learning-based routing policies suffer from representational collapse. Therefore, vanilla SMoE models are memory inefficient and non-scalable, especially for resource-constrained downstream scenarios. In this paper, we ask: Can we craft a compact SMoE model by consolidating expert information? What is the best recipe to merge multiple experts into fewer but more knowledgeable experts? Our pilot investigation reveals that conventional model merging methods fail to be effective in such expert merging for SMoE. The potential reasons are: (1) redundant information overshadows critical experts; (2) appropriate neuron permutation for each expert is missing to bring all of them in alignment. To address this, we propose M-SMoE, which leverages routing statistics to guide expert merging. Specifically, it starts with neuron permutation alignment for experts; then, dominant experts and their "group members" are formed; lastly, every expert group is merged into a single expert by utilizing each expert's activation frequency as their weight for merging, thus diminishing the impact of insignificant experts. Moreover, we observed that our proposed merging promotes a low dimensionality in the merged expert's weight space, naturally paving the way for additional compression. Hence, our final method, MC-SMoE (i.e., Merge, then Compress SMoE), further decomposes the merged experts into low-rank and structural sparse alternatives. Extensive experiments across 8 benchmarks validate the effectiveness of MC-SMoE. For instance, our MC-SMoE achieves up to 80% memory and a 20% FLOPs reduction, with virtually no loss in performance.

We introduce Interleaved Gibbs Diffusion (IGD), a novel generative modeling framework for mixed continuous-discrete data, focusing on constrained generation problems. Prior works on discrete and continuous-discrete diffusion models assume factorized denoising distribution for fast generation, which can hinder the modeling of strong dependencies between random variables encountered in constrained generation. IGD moves beyond this by interleaving continuous and discrete denoising algorithms via a discrete time Gibbs sampling type Markov chain. IGD provides flexibility in the choice of denoisers, allows conditional generation via state-space doubling and inference time scaling via the ReDeNoise method. Empirical evaluations on three challenging tasks-solving 3-SAT, generating molecule structures, and generating layouts-demonstrate state-of-the-art performance. Notably, IGD achieves a 7% improvement on 3-SAT out of the box and achieves state-of-the-art results in molecule generation without relying on equivariant diffusion or domain-specific architectures. We explore a wide range of modeling, and interleaving strategies along with hyperparameters in each of these problems.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

We present 3D DEM simulations of bidisperse granular packings to investigate their jamming densities, phi_J, and dimensionless bulk moduli, K, as a function of the size ratio, delta, and the concentration of small particles, X_{mathrm S}. We determine the partial and total bulk moduli for each packing and report the jamming transition diagram, i.e., the density or volume fraction marking both the first and second transitions of the system. At a large enough size difference, e.g., delta le 0.22, X^{*}_{mathrm S} divides the diagram with most small particles either non-jammed or jammed jointly with large ones. We find that the bulk modulus K jumps at X^{*}_{mathrm S}(delta = 0.15) approx 0.21, at the maximum jamming density, where both particle species mix most efficiently, while for X_{mathrm S} < X^{*}_{mathrm S} K is decoupled in two scenarios as a result of the first and second jamming transition. Along the second transition, K rises relative to the values found at the first transition, however, is still small compared to K at X^{*}_{mathrm S}. While the first transition is sharp, the second is smooth, carried by small-large interactions, while the small-small contacts display a transition. This demonstrates that for low enough delta and X_{mathrm S}, the jamming of small particles indeed impacts the internal resistance of the system. Our new results will allow tuning the bulk modulus K or other properties, such as the wave speed, by choosing specific sizes and concentrations based on a better understanding of whether small particles contribute to the jammed structure or not, and how the micromechanical structure behaves at either transition.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

While frontier large language models (LLMs) continue to push capability boundaries, their deployment remains confined to GPU-powered cloud infrastructure. We challenge this paradigm with SmallThinker, a family of LLMs natively designed - not adapted - for the unique constraints of local devices: weak computational power, limited memory, and slow storage. Unlike traditional approaches that mainly compress existing models built for clouds, we architect SmallThinker from the ground up to thrive within these limitations. Our innovation lies in a deployment-aware architecture that transforms constraints into design principles. First, We introduce a two-level sparse structure combining fine-grained Mixture-of-Experts (MoE) with sparse feed-forward networks, drastically reducing computational demands without sacrificing model capacity. Second, to conquer the I/O bottleneck of slow storage, we design a pre-attention router that enables our co-designed inference engine to prefetch expert parameters from storage while computing attention, effectively hiding storage latency that would otherwise cripple on-device inference. Third, for memory efficiency, we utilize NoPE-RoPE hybrid sparse attention mechanism to slash KV cache requirements. We release SmallThinker-4B-A0.6B and SmallThinker-21B-A3B, which achieve state-of-the-art performance scores and even outperform larger LLMs. Remarkably, our co-designed system mostly eliminates the need for expensive GPU hardware: with Q4_0 quantization, both models exceed 20 tokens/s on ordinary consumer CPUs, while consuming only 1GB and 8GB of memory respectively. SmallThinker is publicly available at hf.co/PowerInfer/SmallThinker-4BA0.6B-Instruct and hf.co/PowerInfer/SmallThinker-21BA3B-Instruct.

Diffusion models based on permutation-equivariant networks can learn permutation-invariant distributions for graph data. However, in comparison to their non-invariant counterparts, we have found that these invariant models encounter greater learning challenges since 1) their effective target distributions exhibit more modes; 2) their optimal one-step denoising scores are the score functions of Gaussian mixtures with more components. Motivated by this analysis, we propose a non-invariant diffusion model, called SwinGNN, which employs an efficient edge-to-edge 2-WL message passing network and utilizes shifted window based self-attention inspired by SwinTransformers. Further, through systematic ablations, we identify several critical training and sampling techniques that significantly improve the sample quality of graph generation. At last, we introduce a simple post-processing trick, i.e., randomly permuting the generated graphs, which provably converts any graph generative model to a permutation-invariant one. Extensive experiments on synthetic and real-world protein and molecule datasets show that our SwinGNN achieves state-of-the-art performances. Our code is released at https://github.com/qiyan98/SwinGNN.

Large language models (LLMs) have enabled the development of numerous specialized, task-specific variants. However, the maintenance and deployment of these individual models present substantial challenges in terms of resource utilization and operational efficiency. In this work, we propose the Mixture of Distributions (MoD) framework, a novel approach for merging LLMs that operates directly on their output probability distributions, rather than on model weights. Unlike traditional weight-averaging methods, MoD effectively preserves the specialized capabilities of individual models while enabling efficient knowledge sharing across tasks. Through extensive experimentation on mathematical reasoning benchmarks using Qwen2.5 models, we demonstrate that MoD significantly outperforms existing model merging techniques across multiple benchmarks. All code, data, and experimental materials are published at https://github.com/knovel-eng/mod.

Mixture-of-Experts (MoE) has emerged as a promising sparse paradigm for scaling up pre-trained models (PTMs) with remarkable cost-effectiveness. However, the dynamic nature of MoE leads to rapid fluctuations and imbalances in expert loads during training, resulting in significant straggler effects that hinder training performance when using expert parallelism (EP). Existing MoE training systems attempt to mitigate these effects through expert rearrangement strategies, but they face challenges in terms of memory efficiency and timeliness of rearrangement. This paper proposes Fully Sharded Sparse Data Parallelism (FSSDP), an innovative approach that tackles the parallelization of MoE layers and potential straggler effects caused by imbalanced expert loads from a new perspective. FSSDP fully shards the parameters and optimizer states of MoE layers across devices and sparsely materializes MoE parameters from scratch in each iteration with two sparse collectives SparseAllGather and SparseReduceScatter. We build Hecate, a high-performance MoE training system that incorporates FSSDP to fully unlock its potential. Hecate introduces heterogeneous sharding, sparse materialization, and re-materialization techniques to construct flexible and efficient expert placements with low memory and communication overhead. Our evaluation reveals that Hecate achieves up to 3.54x speedup compared over state-of-the-art MoE training systems and consistently demonstrates improvements across model architectures and hardware environments.

Sparse Mixture-of-Experts models (MoEs) have recently gained popularity due to their ability to decouple model size from inference efficiency by only activating a small subset of the model parameters for any given input token. As such, sparse MoEs have enabled unprecedented scalability, resulting in tremendous successes across domains such as natural language processing and computer vision. In this work, we instead explore the use of sparse MoEs to scale-down Vision Transformers (ViTs) to make them more attractive for resource-constrained vision applications. To this end, we propose a simplified and mobile-friendly MoE design where entire images rather than individual patches are routed to the experts. We also propose a stable MoE training procedure that uses super-class information to guide the router. We empirically show that our sparse Mobile Vision MoEs (V-MoEs) can achieve a better trade-off between performance and efficiency than the corresponding dense ViTs. For example, for the ViT-Tiny model, our Mobile V-MoE outperforms its dense counterpart by 3.39% on ImageNet-1k. For an even smaller ViT variant with only 54M FLOPs inference cost, our MoE achieves an improvement of 4.66%.

Model order reduction has been extensively studied over the last two decades. Projection-based methods such as the Proper Orthogonal Decomposition and the Reduced Basis Method enjoy the important advantages of Galerkin methods in the derivation of the reduced problem, but are limited to linear data compression for which the reduced solution is sought as a linear combination of spatial modes. Nonlinear data compression must be used when the solution manifold is not embedded in a low-dimensional subspace. Early methods involve piecewise linear data compression, by constructing a dictionary of reduced-order models tailored to a partition of the solution manifold. In this work, we introduce the concept of optimal partition of the solution manifold in terms of normalized Kolmogorov widths, and prove that the optimal partitions can be found by means of a representative-based clustering algorithm using the sine dissimilarity measure on the solution manifold.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

Have you ever imagined what a corgi-alike coffee machine or a tiger-alike rabbit would look like? In this work, we attempt to answer these questions by exploring a new task called semantic mixing, aiming at blending two different semantics to create a new concept (e.g., corgi + coffee machine -- > corgi-alike coffee machine). Unlike style transfer, where an image is stylized according to the reference style without changing the image content, semantic blending mixes two different concepts in a semantic manner to synthesize a novel concept while preserving the spatial layout and geometry. To this end, we present MagicMix, a simple yet effective solution based on pre-trained text-conditioned diffusion models. Motivated by the progressive generation property of diffusion models where layout/shape emerges at early denoising steps while semantically meaningful details appear at later steps during the denoising process, our method first obtains a coarse layout (either by corrupting an image or denoising from a pure Gaussian noise given a text prompt), followed by injection of conditional prompt for semantic mixing. Our method does not require any spatial mask or re-training, yet is able to synthesize novel objects with high fidelity. To improve the mixing quality, we further devise two simple strategies to provide better control and flexibility over the synthesized content. With our method, we present our results over diverse downstream applications, including semantic style transfer, novel object synthesis, breed mixing, and concept removal, demonstrating the flexibility of our method. More results can be found on the project page https://magicmix.github.io

Sequence and channel mixers, the core mechanism in sequence models, have become the de facto standard in time series analysis (TSA). However, recent studies have questioned the necessity of complex sequence mixers, such as attention mechanisms, demonstrating that simpler architectures can achieve comparable or even superior performance. This suggests that the benefits attributed to complex sequencemixers might instead emerge from other architectural or optimization factors. Based on this observation, we pose a central question: Are common sequence mixers necessary for time-series analysis? Therefore, we propose JustDense, an empirical study that systematically replaces sequence mixers in various well-established TSA models with dense layers. Grounded in the MatrixMixer framework, JustDense treats any sequence mixer as a mixing matrix and replaces it with a dense layer. This substitution isolates the mixing operation, enabling a clear theoretical foundation for understanding its role. Therefore, we conducted extensive experiments on 29 benchmarks covering five representative TSA tasks using seven state-of-the-art TSA models to address our research question. The results show that replacing sequence mixers with dense layers yields comparable or even superior performance. In the cases where dedicated sequence mixers still offer benefits, JustDense challenges the assumption that "deeper and more complex architectures are inherently better" in TSA.

State Space Models (SSMs) have become serious contenders in the field of sequential modeling, challenging the dominance of Transformers. At the same time, Mixture of Experts (MoE) has significantly improved Transformer-based LLMs, including recent state-of-the-art open-source models. We propose that to unlock the potential of SSMs for scaling, they should be combined with MoE. We showcase this on Mamba, a recent SSM-based model that achieves remarkable, Transformer-like performance. Our model, MoE-Mamba, outperforms both Mamba and Transformer-MoE. In particular, MoE-Mamba reaches the same performance as Mamba in 2.2x less training steps while preserving the inference performance gains of Mamba against the Transformer.

Hyperspectral unmixing is one of the crucial steps for many hyperspectral applications. The problem of hyperspectral unmixing has proven to be a difficult task in unsupervised work settings where the endmembers and abundances are both unknown. What is more, this task becomes more challenging in the case that the spectral bands are degraded with noise. This paper presents a robust model for unsupervised hyperspectral unmixing. Specifically, our model is developed with the correntropy based metric where the non-negative constraints on both endmembers and abundances are imposed to keep physical significance. In addition, a sparsity prior is explicitly formulated to constrain the distribution of the abundances of each endmember. To solve our model, a half-quadratic optimization technique is developed to convert the original complex optimization problem into an iteratively re-weighted NMF with sparsity constraints. As a result, the optimization of our model can adaptively assign small weights to noisy bands and give more emphasis on noise-free bands. In addition, with sparsity constraints, our model can naturally generate sparse abundances. Experiments on synthetic and real data demonstrate the effectiveness of our model in comparison to the related state-of-the-art unmixing models.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

Multi-layer perceptron (MLP) is a fundamental component of deep learning that has been extensively employed for various problems. However, recent empirical successes in MLP-based architectures, particularly the progress of the MLP-Mixer, have revealed that there is still hidden potential in improving MLPs to achieve better performance. In this study, we reveal that the MLP-Mixer works effectively as a wide MLP with certain sparse weights. Initially, we clarify that the mixing layer of the Mixer has an effective expression as a wider MLP whose weights are sparse and represented by the Kronecker product. This expression naturally defines a permuted-Kronecker (PK) family, which can be regarded as a general class of mixing layers and is also regarded as an approximation of Monarch matrices. Subsequently, because the PK family effectively constitutes a wide MLP with sparse weights, one can apply the hypothesis proposed by Golubeva, Neyshabur and Gur-Ari (2021) that the prediction performance improves as the width (sparsity) increases when the number of weights is fixed. We empirically verify this hypothesis by maximizing the effective width of the MLP-Mixer, which enables us to determine the appropriate size of the mixing layers quantitatively.

In this paper, we consider the minimum submodular cost allocation (MSCA) problem. The input of MSCA is k non-negative submodular functions f_1,ldots,f_k on the ground set N given by evaluation oracles, and the goal is to partition N into k (possibly empty) sets X_1,ldots,X_k so that sum_{i=1}^k f_i(X_i) is minimized. In this paper, we focus on the case when f_1,ldots,f_k are monotone (denoted by Mono-MSCA). We provide a natural LP-relaxation for Mono-MSCA, which is equivalent to the convex program relaxation introduced by Chekuri and Ene. We show that the integrality gap of the LP-relaxation is at most k/2, which yields a k/2-approximation algorithm for Mono-MSCA. We also show that the integrality gap of the LP-relaxation is at least k/2-epsilon for any constant epsilon>0 when k is fixed.

The Mixture of Experts (MoE) architecture has emerged as a powerful paradigm for scaling large language models (LLMs) while maintaining inference efficiency. However, their enormous memory requirements make them prohibitively expensive to fine-tune or deploy in resource-constrained environments. To address this challenge, we introduce SlimMoE, a multi-stage compression framework for transforming large MoE models into much smaller, efficient variants without incurring the prohibitive costs of training from scratch. Our method systematically reduces parameter counts by slimming experts and transferring knowledge through intermediate stages, effectively mitigating the performance degradation common in one-shot pruning approaches. Using this framework, we compress Phi 3.5-MoE (41.9B total/6.6B activated parameters) to create Phi-mini-MoE (7.6B total/2.4B activated parameters) and Phi-tiny-MoE (3.8B total/1.1B activated parameters) using only 400B tokens--less than 10% of the original model's training data. These compressed models can be fine-tuned on a single GPU (A100 for Phi-mini-MoE, A6000 for Phi-tiny-MoE), making them highly suitable for academic and resource-limited settings. Our experiments demonstrate that these compressed models outperform others of similar size and remain competitive with larger models. For instance, Phi-mini-MoE achieves similar or better performance to Phi-3-mini using only 2/3 of the activated parameters and yields comparable MMLU scores to Llama 3.1 8B despite having significantly lower latency. Our findings demonstrate that structured pruning combined with staged distillation offers an effective path to creating high-quality, compact MoE models, paving the way for broader adoption of MoE architectures. We make our models publicly available at https://huggingface.co/microsoft/Phi-mini-MoE-instruct and https://huggingface.co/microsoft/Phi-tiny-MoE-instruct .

Forecasting on sparse multivariate time series (MTS) aims to model the predictors of future values of time series given their incomplete past, which is important for many emerging applications. However, most existing methods process MTS's individually, and do not leverage the dynamic distributions underlying the MTS's, leading to sub-optimal results when the sparsity is high. To address this challenge, we propose a novel generative model, which tracks the transition of latent clusters, instead of isolated feature representations, to achieve robust modeling. It is characterized by a newly designed dynamic Gaussian mixture distribution, which captures the dynamics of clustering structures, and is used for emitting timeseries. The generative model is parameterized by neural networks. A structured inference network is also designed for enabling inductive analysis. A gating mechanism is further introduced to dynamically tune the Gaussian mixture distributions. Extensive experimental results on a variety of real-life datasets demonstrate the effectiveness of our method.

We consider distributed image transmission over a noisy multiple access channel (MAC) using deep joint source-channel coding (DeepJSCC). It is known that Shannon's separation theorem holds when transmitting independent sources over a MAC in the asymptotic infinite block length regime. However, we are interested in the practical finite block length regime, in which case separate source and channel coding is known to be suboptimal. We introduce a novel joint image compression and transmission scheme, where the devices send their compressed image representations in a non-orthogonal manner. While non-orthogonal multiple access (NOMA) is known to achieve the capacity region, to the best of our knowledge, non-orthogonal joint source channel coding (JSCC) scheme for practical systems has not been studied before. Through extensive experiments, we show significant improvements in terms of the quality of the reconstructed images compared to orthogonal transmission employing current DeepJSCC approaches particularly for low bandwidth ratios. We publicly share source code to facilitate further research and reproducibility.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

Adapting large-scale pretrained language models to downstream tasks via fine-tuning is the standard method for achieving state-of-the-art performance on NLP benchmarks. However, fine-tuning all weights of models with millions or billions of parameters is sample-inefficient, unstable in low-resource settings, and wasteful as it requires storing a separate copy of the model for each task. Recent work has developed parameter-efficient fine-tuning methods, but these approaches either still require a relatively large number of parameters or underperform standard fine-tuning. In this work, we propose Compacter, a method for fine-tuning large-scale language models with a better trade-off between task performance and the number of trainable parameters than prior work. Compacter accomplishes this by building on top of ideas from adapters, low-rank optimization, and parameterized hypercomplex multiplication layers. Specifically, Compacter inserts task-specific weight matrices into a pretrained model's weights, which are computed efficiently as a sum of Kronecker products between shared "slow" weights and "fast" rank-one matrices defined per Compacter layer. By only training 0.047% of a pretrained model's parameters, Compacter performs on par with standard fine-tuning on GLUE and outperforms standard fine-tuning on SuperGLUE and low-resource settings. Our code is publicly available at~https://github.com/rabeehk/compacter.

Quantizing large language models has become a standard way to reduce their memory and computational costs. Typically, existing methods focus on breaking down the problem into individual layer-wise sub-problems, and minimizing per-layer error, measured via various metrics. Yet, this approach currently lacks theoretical justification and the metrics employed may be sub-optimal. In this paper, we present a "linearity theorem" establishing a direct relationship between the layer-wise ell_2 reconstruction error and the model perplexity increase due to quantization. This insight enables two novel applications: (1) a simple data-free LLM quantization method using Hadamard rotations and MSE-optimal grids, dubbed HIGGS, which outperforms all prior data-free approaches such as the extremely popular NF4 quantized format, and (2) an optimal solution to the problem of finding non-uniform per-layer quantization levels which match a given compression constraint in the medium-bitwidth regime, obtained by reduction to dynamic programming. On the practical side, we demonstrate improved accuracy-compression trade-offs on Llama-3.1 and 3.2-family models, as well as on Qwen-family models. Further, we show that our method can be efficiently supported in terms of GPU kernels at various batch sizes, advancing both data-free and non-uniform quantization for LLMs.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

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

Conditional sound separation in multi-source audio mixtures without having access to single source sound data during training is a long standing challenge. Existing mix-and-separate based methods suffer from significant performance drop with multi-source training mixtures due to the lack of supervision signal for single source separation cases during training. However, in the case of language-conditional audio separation, we do have access to corresponding text descriptions for each audio mixture in our training data, which can be seen as (rough) representations of the audio samples in the language modality. To this end, in this paper, we propose a generic bi-modal separation framework which can enhance the existing unsupervised frameworks to separate single-source signals in a target modality (i.e., audio) using the easily separable corresponding signals in the conditioning modality (i.e., language), without having access to single-source samples in the target modality during training. We empirically show that this is well within reach if we have access to a pretrained joint embedding model between the two modalities (i.e., CLAP). Furthermore, we propose to incorporate our framework into two fundamental scenarios to enhance separation performance. First, we show that our proposed methodology significantly improves the performance of purely unsupervised baselines by reducing the distribution shift between training and test samples. In particular, we show that our framework can achieve 71% boost in terms of Signal-to-Distortion Ratio (SDR) over the baseline, reaching 97.5% of the supervised learning performance. Second, we show that we can further improve the performance of the supervised learning itself by 17% if we augment it by our proposed weakly-supervised framework, that enables a powerful semi-supervised framework for audio separation.

We propose efficient Langevin Monte Carlo algorithms for sampling distributions with nonsmooth convex composite potentials, which is the sum of a continuously differentiable function and a possibly nonsmooth function. We devise such algorithms leveraging recent advances in convex analysis and optimization methods involving Bregman divergences, namely the Bregman--Moreau envelopes and the Bregman proximity operators, and in the Langevin Monte Carlo algorithms reminiscent of mirror descent. The proposed algorithms extend existing Langevin Monte Carlo algorithms in two aspects -- the ability to sample nonsmooth distributions with mirror descent-like algorithms, and the use of the more general Bregman--Moreau envelope in place of the Moreau envelope as a smooth approximation of the nonsmooth part of the potential. A particular case of the proposed scheme is reminiscent of the Bregman proximal gradient algorithm. The efficiency of the proposed methodology is illustrated with various sampling tasks at which existing Langevin Monte Carlo methods are known to perform poorly.

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.

From the Bayesian perspective, the category of conditional probabilities (a variant of the Kleisli category of the Giry monad, whose objects are measurable spaces and arrows are Markov kernels) gives a nice framework for conceptualization and analysis of many aspects of machine learning. Using categorical methods, we construct models for parametric and nonparametric Bayesian reasoning on function spaces, thus providing a basis for the supervised learning problem. In particular, stochastic processes are arrows to these function spaces which serve as prior probabilities. The resulting inference maps can often be analytically constructed in this symmetric monoidal weakly closed category. We also show how to view general stochastic processes using functor categories and demonstrate the Kalman filter as an archetype for the hidden Markov model.

In the present work, we study the dynamical evolution of an homogeneous and anisotropic, noncommutative (NC) Bianchi I (BI) model coupled to a radiation perfect fluid. Our first motivation is determining if the present model tends to an homogeneous and isotropic NC Friedmann-Robertson-Walker (FRW) model, during its evolution. In order to simplify our task, we use the Misner parametrization of the BI metric. In terms of that parametrization the BI metric has three metric functions: the scale factor a(t) and the two parameters beta_pm (t), which measure the spatial anisotropy of the model. Our second motivation is trying to describe the present accelerated expansion of the universe using noncommutativity (NCTY). The NCTY is introduced by two nontrivial Poisson brackets between some geometrical as well as matter variables of the model. We recover the description in terms of commutative variables by introducing some variables transformations that depend on the NC parameter. Using those variables transformations, we rewrite the total NC Hamiltonian of the model in terms of commutative variables. From the resulting Hamiltonian, we obtain the dynamical equations for a generic perfect fluid. In order to solve these equations, we restrict our attention to a model where the perfect fluid is radiation. We solve, numerically, these equations and compare the NC solutions to the corresponding commutative ones. The comparison shows that the NC model may be considered as a possible candidate for describing the accelerated expansion of the universe. Finally, we obtain estimates for the NC parameter and compare the main results of the NC BI model coupled to radiation with the same NC BI model coupled to other perfect fluids. As our main result, we show that the solutions, after some time, produce an isotropic universe.

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

Minimax problems are notoriously challenging to optimize. However, we demonstrate that the two-timescale extragradient can be a viable solution. By utilizing dynamical systems theory, we show that it converges to points that satisfy the second-order necessary condition of local minimax points, under a mild condition. This work surpasses all previous results as we eliminate a crucial assumption that the Hessian, with respect to the maximization variable, is nondegenerate.

We define a new class of set functions that in addition to being monotone and subadditive, also admit a very limited form of submodularity defined over a permutation of the ground set. We refer to this permutation as a submodular order. This class of functions includes monotone submodular functions as a sub-family. To understand the importance of this structure in optimization problems we consider the problem of maximizing function value under various types of constraints. To demonstrate the modeling power of submodular order functions we show applications in two different settings. First, we apply our results to the extensively studied problem of assortment optimization. While the objectives in assortment optimization are known to be non-submodular (and non-monotone) even for simple choice models, we show that they are compatible with the notion of submodular order. Consequently, we obtain new and in some cases the first constant factor guarantee for constrained assortment optimization in fundamental choice models. As a second application of submodular order functions, we show an intriguing connection to the maximization of monotone submodular functions in the streaming model. We recover some best known guarantees for this problem as a corollary of our results.