Daily Papers

Robust generalization under distribution shift remains a key challenge for conditional generative modeling: conditional flow-based methods often fit the training conditions well but fail to extrapolate to unseen ones. We introduce SP-FM, a shortest-path flow-matching framework that improves out-of-distribution (OOD) generalization by conditioning both the base distribution and the flow field on the condition. Specifically, SP-FM learns a condition-dependent base distribution parameterized as a flexible, learnable mixture, together with a condition-dependent vector field trained via shortest-path flow matching. Conditioning the base allows the model to adapt its starting distribution across conditions, enabling smooth interpolation and more reliable extrapolation beyond the observed training range. We provide theoretical insights into the resulting conditional transport and show how mixture-conditioned bases enhance robustness under shift. Empirically, SP-FM is effective across heterogeneous domains, including predicting responses to unseen perturbations in single-cell transcriptomics and modeling treatment effects in high-content microscopy--based drug screening. Overall, SP-FM provides a simple yet effective plug-in strategy for improving conditional generative modeling and OOD generalization across diverse domains.

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.

Albeit worryingly underrated in the recent literature on machine learning in general (and, on deep learning in particular), multivariate density estimation is a fundamental task in many applications, at least implicitly, and still an open issue. With a few exceptions, deep neural networks (DNNs) have seldom been applied to density estimation, mostly due to the unsupervised nature of the estimation task, and (especially) due to the need for constrained training algorithms that ended up realizing proper probabilistic models that satisfy Kolmogorov's axioms. Moreover, in spite of the well-known improvement in terms of modeling capabilities yielded by mixture models over plain single-density statistical estimators, no proper mixtures of multivariate DNN-based component densities have been investigated so far. The paper fills this gap by extending our previous work on Neural Mixture Densities (NMMs) to multivariate DNN mixtures. A maximum-likelihood (ML) algorithm for estimating Deep NMMs (DNMMs) is handed out, which satisfies numerically a combination of hard and soft constraints aimed at ensuring satisfaction of Kolmogorov's axioms. The class of probability density functions that can be modeled to any degree of precision via DNMMs is formally defined. A procedure for the automatic selection of the DNMM architecture, as well as of the hyperparameters for its ML training algorithm, is presented (exploiting the probabilistic nature of the DNMM). Experimental results on univariate and multivariate data are reported on, corroborating the effectiveness of the approach and its superiority to the most popular statistical estimation techniques.

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.

Mixture of Experts (MoE) models scale capacity but often suffer from representation collapse and gradient instability. We propose Dynamic Subspace Composition (DSC), a framework that approximates context-dependent weights via a state-dependent, sparse expansion of a shared basis bank. Formally, DSC models the weight update as a residual trajectory within a Star- Shaped Domain, employing a Magnitude-Gated Simplex Interpolation to ensure continuity at the identity. Unlike standard Mixture-of-LoRAs, which incurs O(M rd) parameter complexity by retrieving independent rank-r matrices, DSC constructs a compositional rank-K approximation from decoupled unit-norm basis vectors. This reduces parameter complexity to O(M d) and memory traffic to O(Kd), while Frame-Theoretic regularization and spectral constraints provide rigorous worst-case bounds on the dynamic update. The code is available at https://github. com/VladimerKhasia/DSC

Language model performance depends on identifying the optimal mixture of data groups to train on (e.g., law, code, math). Prior work has proposed a diverse set of methods to efficiently learn mixture proportions, ranging from fitting regression models over training runs to dynamically updating proportions throughout training. Surprisingly, we find that no existing method consistently outperforms a simple stratified sampling baseline in terms of average test perplexity. To understand this inconsistency, we unify existing methods into a standard framework, showing they are equivalent to solving a common optimization problem: minimize average loss subject to a method-specific mixing law -- an implicit assumption on the relationship between loss and mixture proportions. This framework suggests that measuring the fidelity of a method's mixing law can offer insights into its performance. Empirically, we find that existing methods set their mixing law parameters inaccurately, resulting in the inconsistent mixing performance we observe. Using this insight, we derive a new online method named Aioli, which directly estimates the mixing law parameters throughout training and uses them to dynamically adjust proportions. Aioli outperforms stratified sampling on 6 out of 6 datasets by an average of 0.27 test perplexity points, whereas existing methods fail to consistently beat stratified sampling, doing up to 6.9 points worse. Moreover, in a practical setting where proportions are learned on shorter runs due to computational constraints, Aioli can dynamically adjust these proportions over the full training run, consistently improving performance over existing methods by up to 12.012 test perplexity points.

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

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.

Mixture of experts (MoE) has a well-principled finite mixture model construction for prediction, allowing the gating network (mixture weights) to learn from the predictors (explanatory variables) together with the experts' network (mixture component densities). We investigate the estimation properties of MoEs in a high-dimensional setting, where the number of predictors is much larger than the sample size, for which the literature lacks computational and especially theoretical results. We consider the class of finite MoE models with softmax gating functions and Gaussian regression experts, and focus on the theoretical properties of their l_1-regularized estimation via the Lasso. We provide a lower bound on the regularization parameter of the Lasso penalty that ensures an l_1-oracle inequality is satisfied by the Lasso estimator according to the Kullback--Leibler loss. We further state an l_1-ball oracle inequality for the l_1-penalized maximum likelihood estimator from the model selection.

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.

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized technique, we introduce a simple, unified framework to handle diverse conditional generation tasks involving a specific image-condition correlation. By learning a joint distribution over a correlated image pair (e.g. image and depth) with a diffusion model, our approach enables versatile capabilities via different inference-time sampling schemes, including controllable image generation (e.g. depth to image), estimation (e.g. image to depth), signal guidance, joint generation (image & depth), and coarse control. Previous attempts at unification often introduce significant complexity through multi-stage training, architectural modification, or increased parameter counts. In contrast, our simple formulation requires a single, computationally efficient training stage, maintains the standard model input, and adds minimal learned parameters (15% of the base model). Moreover, our model supports additional capabilities like non-spatially aligned and coarse conditioning. Extensive results show that our single model can produce comparable results with specialized methods and better results than prior unified methods. We also demonstrate that multiple models can be effectively combined for multi-signal conditional generation.

Mixtures of Experts combine the outputs of several "expert" networks, each of which specializes in a different part of the input space. This is achieved by training a "gating" network that maps each input to a distribution over the experts. Such models show promise for building larger networks that are still cheap to compute at test time, and more parallelizable at training time. In this this work, we extend the Mixture of Experts to a stacked model, the Deep Mixture of Experts, with multiple sets of gating and experts. This exponentially increases the number of effective experts by associating each input with a combination of experts at each layer, yet maintains a modest model size. On a randomly translated version of the MNIST dataset, we find that the Deep Mixture of Experts automatically learns to develop location-dependent ("where") experts at the first layer, and class-specific ("what") experts at the second layer. In addition, we see that the different combinations are in use when the model is applied to a dataset of speech monophones. These demonstrate effective use of all expert combinations.

Multi-lingual speech recognition aims to distinguish linguistic expressions in different languages and integrate acoustic processing simultaneously. In contrast, current multi-lingual speech recognition research follows a language-aware paradigm, mainly targeted to improve recognition performance rather than discriminate language characteristics. In this paper, we present a multi-lingual speech recognition network named Mixture-of-Language-Expert(MoLE), which digests speech in a variety of languages. Specifically, MoLE analyzes linguistic expression from input speech in arbitrary languages, activating a language-specific expert with a lightweight language tokenizer. The tokenizer not only activates experts, but also estimates the reliability of the activation. Based on the reliability, the activated expert and the language-agnostic expert are aggregated to represent language-conditioned embedding for efficient speech recognition. Our proposed model is evaluated in 5 languages scenario, and the experimental results show that our structure is advantageous on multi-lingual recognition, especially for speech in low-resource language.

This paper addresses the challenge of integrating 3D meshes as a native modality within Multimodal Large Language Models (MLLMs). Diffusion-based large reconstruction models decouple semantic understanding from geometric reasoning, operating as stateless reconstructors conditioned on dense 2D pixel priors. Recent MLLM-based methods treat the 3D modality as an external output rather than a native component of the multimodal sequence, making incremental adaptations without a systematic analysis of how geometric manifolds align with MLLM feature spaces. We introduce EVA01, a unified framework that extends the modality boundary of MLLMs to natively incorporate 3D mesh understanding, generation, and context-aware editing. Built upon a Mixture-of-Transformers (MoT) architecture, EVA01 decouples the model into a pre-trained Understanding Expert (E_{und}) and a structurally mirrored Generation Expert (E_{gen}), coupled through shared global self-attention with hard modality routing. This design aligns the semantic latent space of the MLLM backbone with the geometric manifold, enabling direct transfer of multimodal priors without intermediate 2D representations. Results show that EVA01 achieves state-of-the-art native text-to-3D generation fidelity and unlocks robust long-context multi-turn geometric editing with identity preservation, a capability fundamentally inaccessible to stateless reconstruction pipelines. Our findings further offer architectural insights for integrating 2D foundation models with 3D tasks, informing the design of 3D-native multimodal systems. Project Page: https://www.seeles.ai/research/pages/EVA01

Data-driven weather models have recently achieved state-of-the-art performance, yet progress has plateaued in recent years. This paper introduces a Mixture of Experts (MoWE) approach as a novel paradigm to overcome these limitations, not by creating a new forecaster, but by optimally combining the outputs of existing models. The MoWE model is trained with significantly lower computational resources than the individual experts. Our model employs a Vision Transformer-based gating network that dynamically learns to weight the contributions of multiple "expert" models at each grid point, conditioned on forecast lead time. This approach creates a synthesized deterministic forecast that is more accurate than any individual component in terms of Root Mean Squared Error (RMSE). Our results demonstrate the effectiveness of this method, achieving up to a 10% lower RMSE than the best-performing AI weather model on a 2-day forecast horizon, significantly outperforming individual experts as well as a simple average across experts. This work presents a computationally efficient and scalable strategy to push the state of the art in data-driven weather prediction by making the most out of leading high-quality forecast models.

Diffusion Policies have become widely used in Imitation Learning, offering several appealing properties, such as generating multimodal and discontinuous behavior. As models are becoming larger to capture more complex capabilities, their computational demands increase, as shown by recent scaling laws. Therefore, continuing with the current architectures will present a computational roadblock. To address this gap, we propose Mixture-of-Denoising Experts (MoDE) as a novel policy for Imitation Learning. MoDE surpasses current state-of-the-art Transformer-based Diffusion Policies while enabling parameter-efficient scaling through sparse experts and noise-conditioned routing, reducing both active parameters by 40% and inference costs by 90% via expert caching. Our architecture combines this efficient scaling with noise-conditioned self-attention mechanism, enabling more effective denoising across different noise levels. MoDE achieves state-of-the-art performance on 134 tasks in four established imitation learning benchmarks (CALVIN and LIBERO). Notably, by pretraining MoDE on diverse robotics data, we achieve 4.01 on CALVIN ABC and 0.95 on LIBERO-90. It surpasses both CNN-based and Transformer Diffusion Policies by an average of 57% across 4 benchmarks, while using 90% fewer FLOPs and fewer active parameters compared to default Diffusion Transformer architectures. Furthermore, we conduct comprehensive ablations on MoDE's components, providing insights for designing efficient and scalable Transformer architectures for Diffusion Policies. Code and demonstrations are available at https://mbreuss.github.io/MoDE_Diffusion_Policy/.

Training diffusion models for audiovisual sequences allows for a range of generation tasks by learning conditional distributions of various input-output combinations of the two modalities. Nevertheless, this strategy often requires training a separate model for each task which is expensive. Here, we propose a novel training approach to effectively learn arbitrary conditional distributions in the audiovisual space.Our key contribution lies in how we parameterize the diffusion timestep in the forward diffusion process. Instead of the standard fixed diffusion timestep, we propose applying variable diffusion timesteps across the temporal dimension and across modalities of the inputs. This formulation offers flexibility to introduce variable noise levels for various portions of the input, hence the term mixture of noise levels. We propose a transformer-based audiovisual latent diffusion model and show that it can be trained in a task-agnostic fashion using our approach to enable a variety of audiovisual generation tasks at inference time. Experiments demonstrate the versatility of our method in tackling cross-modal and multimodal interpolation tasks in the audiovisual space. Notably, our proposed approach surpasses baselines in generating temporally and perceptually consistent samples conditioned on the input. Project page: avdit2024.github.io

Deep learning models achieve state-of-the art results in predicting blood glucose trajectories, with a wide range of architectures being proposed. However, the adaptation of such models in clinical practice is slow, largely due to the lack of uncertainty quantification of provided predictions. In this work, we propose to model the future glucose trajectory conditioned on the past as an infinite mixture of basis distributions (i.e., Gaussian, Laplace, etc.). This change allows us to learn the uncertainty and predict more accurately in the cases when the trajectory has a heterogeneous or multi-modal distribution. To estimate the parameters of the predictive distribution, we utilize the Transformer architecture. We empirically demonstrate the superiority of our method over existing state-of-the-art techniques both in terms of accuracy and uncertainty on the synthetic and benchmark glucose data sets.

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.

Offline Goal-Conditioned Reinforcement Learning (GCRL) is tasked with learning to achieve multiple goals in an environment purely from offline datasets using sparse reward functions. Offline GCRL is pivotal for developing generalist agents capable of leveraging pre-existing datasets to learn diverse and reusable skills without hand-engineering reward functions. However, contemporary approaches to GCRL based on supervised learning and contrastive learning are often suboptimal in the offline setting. An alternative perspective on GCRL optimizes for occupancy matching, but necessitates learning a discriminator, which subsequently serves as a pseudo-reward for downstream RL. Inaccuracies in the learned discriminator can cascade, negatively influencing the resulting policy. We present a novel approach to GCRL under a new lens of mixture-distribution matching, leading to our discriminator-free method: SMORe. The key insight is combining the occupancy matching perspective of GCRL with a convex dual formulation to derive a learning objective that can better leverage suboptimal offline data. SMORe learns scores or unnormalized densities representing the importance of taking an action at a state for reaching a particular goal. SMORe is principled and our extensive experiments on the fully offline GCRL benchmark composed of robot manipulation and locomotion tasks, including high-dimensional observations, show that SMORe can outperform state-of-the-art baselines by a significant margin.

This paper investigates the fundamental discontinuity between the latest two Segment Anything Models: SAM2 and SAM3. We explain why the expertise in prompt-based segmentation of SAM2 does not transfer to the multimodal concept-driven paradigm of SAM3. SAM2 operates through spatial prompts points, boxes, and masks yielding purely geometric and temporal segmentation. In contrast, SAM3 introduces a unified vision-language architecture capable of open-vocabulary reasoning, semantic grounding, contrastive alignment, and exemplar-based concept understanding. We structure this analysis through five core components: (1) a Conceptual Break Between Prompt-Based and Concept-Based Segmentation, contrasting spatial prompt semantics of SAM2 with multimodal fusion and text-conditioned mask generation of SAM3; (2) Architectural Divergence, detailing pure vision-temporal design of SAM2 versus integration of vision-language encoders, geometry and exemplar encoders, fusion modules, DETR-style decoders, object queries, and ambiguity-handling via Mixture-of-Experts in SAM3; (3) Dataset and Annotation Differences, contrasting SA-V video masks with multimodal concept-annotated corpora of SAM3; (4) Training and Hyperparameter Distinctions, showing why SAM2 optimization knowledge does not apply to SAM3; and (5) Evaluation, Metrics, and Failure Modes, outlining the transition from geometric IoU metrics to semantic, open-vocabulary evaluation. Together, these analyses establish SAM3 as a new class of segmentation foundation model and chart future directions for the emerging concept-driven segmentation era.

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

Adaptive sparse coding methods learn a possibly overcomplete set of basis functions, such that natural image patches can be reconstructed by linearly combining a small subset of these bases. The applicability of these methods to visual object recognition tasks has been limited because of the prohibitive cost of the optimization algorithms required to compute the sparse representation. In this work we propose a simple and efficient algorithm to learn basis functions. After training, this model also provides a fast and smooth approximator to the optimal representation, achieving even better accuracy than exact sparse coding algorithms on visual object recognition tasks.

Large multimodal models have achieved remarkable progress in both understanding and generation. Recent efforts pursue unified multimodal models that integrate heterogeneous components to support both capabilities within a single framework. However, such unification introduces inference inefficiencies, e.g., specific tasks or samples may not require the full knowledge or capacity of the unified model. Yet, a systematic understanding of how these inefficiencies manifest across different components remains limited. In this work, we first conduct a systematic analysis of unified multimodal model components using training-free pruning as a probing methodology, considering both depth pruning and width reduction. Our study reveals that the understanding component exhibits notable compressibility in both understanding and generation tasks, which is more pronounced in the latter. In contrast, the generation components are highly sensitive to compression, with performance deteriorating sharply even under moderate compression ratios. To address this limitation, we propose the Mixture-of-Experts (MoE) Adaptation, inspired by the dynamic activation patterns observed across different samples. This approach partitions the generation module into multiple experts and enables sparse activation to restore generation quality. We validate the effectiveness of sparse activation through expert-frozen tuning and further demonstrate that a fully trainable adaptation delivers additional gains. As a result, the adapted BAGEL model achieves performance comparable to the full model while activating only about half of its parameters. The code is released at https://github.com/Shwai-He/SparseUnifiedModel{this link}.

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.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

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

Production deployments in complex systems require ML architectures to be highly efficient and usable against multiple tasks. Particularly demanding are classification problems in which data arrives in a streaming fashion and each class is presented separately. Recent methods with stochastic gradient learning have been shown to struggle in such setups or have limitations like memory buffers, and being restricted to specific domains that disable its usage in real-world scenarios. For this reason, we present a fully differentiable architecture based on the Mixture of Experts model, that enables the training of high-performance classifiers when examples from each class are presented separately. We conducted exhaustive experiments that proved its applicability in various domains and ability to learn online in production environments. The proposed technique achieves SOTA results without a memory buffer and clearly outperforms the reference methods.

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.

Monocular 3D human pose estimation is quite challenging due to the inherent ambiguity and occlusion, which often lead to high uncertainty and indeterminacy. On the other hand, diffusion models have recently emerged as an effective tool for generating high-quality images from noise. Inspired by their capability, we explore a novel pose estimation framework (DiffPose) that formulates 3D pose estimation as a reverse diffusion process. We incorporate novel designs into our DiffPose to facilitate the diffusion process for 3D pose estimation: a pose-specific initialization of pose uncertainty distributions, a Gaussian Mixture Model-based forward diffusion process, and a context-conditioned reverse diffusion process. Our proposed DiffPose significantly outperforms existing methods on the widely used pose estimation benchmarks Human3.6M and MPI-INF-3DHP. Project page: https://gongjia0208.github.io/Diffpose/.

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.

Generative Adversarial Networks (GANs) have been shown to produce realistically looking synthetic images with remarkable success, yet their performance seems less impressive when the training set is highly diverse. In order to provide a better fit to the target data distribution when the dataset includes many different classes, we propose a variant of the basic GAN model, called Gaussian Mixture GAN (GM-GAN), where the probability distribution over the latent space is a mixture of Gaussians. We also propose a supervised variant which is capable of conditional sample synthesis. In order to evaluate the model's performance, we propose a new scoring method which separately takes into account two (typically conflicting) measures - diversity vs. quality of the generated data. Through a series of empirical experiments, using both synthetic and real-world datasets, we quantitatively show that GM-GANs outperform baselines, both when evaluated using the commonly used Inception Score, and when evaluated using our own alternative scoring method. In addition, we qualitatively demonstrate how the unsupervised variant of GM-GAN tends to map latent vectors sampled from different Gaussians in the latent space to samples of different classes in the data space. We show how this phenomenon can be exploited for the task of unsupervised clustering, and provide quantitative evaluation showing the superiority of our method for the unsupervised clustering of image datasets. Finally, we demonstrate a feature which further sets our model apart from other GAN models: the option to control the quality-diversity trade-off by altering, post-training, the probability distribution of the latent space. This allows one to sample higher quality and lower diversity samples, or vice versa, according to one's needs.

Selecting the best data mixture is critical for successful Supervised Fine-Tuning (SFT) of Multimodal Large Language Models. However, determining the optimal mixture weights across multiple domain-specific datasets remains a significant bottleneck due to the combinatorial search space and the high cost associated with even a single training run. This is the so-called Data Mixture Optimization (DMO) problem. On the other hand, model merging unifies domain-specific experts through parameter interpolation. This strategy is efficient, as it only requires a single training run per domain, yet oftentimes leads to suboptimal models. In this work, we take the best of both worlds, studying model merging as an efficient strategy for estimating the performance of different data mixtures. We train domain-specific multimodal experts and evaluate their weighted parameter-space combinations to estimate the efficacy of corresponding data mixtures. We conduct extensive experiments on 14 multimodal benchmarks, and empirically demonstrate that the merged proxy models exhibit a high rank correlation with models trained on actual data mixtures. This decouples the search for optimal mixtures from the resource-intensive training process, thereby providing a scalable and efficient strategy for navigating the complex landscape of mixture weights. Code is publicly available at https://github.com/BerasiDavide/mLLMs_merging_4_DMO.

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.

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.

Neural posterior estimation has emerged as a powerful tool for amortized inference, with growing adoption across scientific and applied domains. In many of these applications, the conditioning variable is a set of observations whose elements depend not only on the target but also on unknown factors shared across the set. Optimal inference therefore requires treating the set jointly, which in turn requires training the estimator at the deployment set size -- a regime where memory and compute quickly become prohibitive. We introduce a simple, theoretically grounded strategy that decouples representation learning from posterior modeling. Our method trains a mean-pool Deep Set on sets of size at most two, producing an encoder that generalizes to arbitrary set sizes. The inference head is then finetuned on pre-aggregated embeddings, making training cost essentially independent of the deployment set size N. Across scalar, image, multi-view 3D, molecular, and high-dimensional conditional generation benchmarks with N in the thousands, our approach matches or outperforms standard baselines at a fraction of the compute.

Mixture of experts (MoE) are a popular class of statistical and machine learning models that have gained attention over the years due to their flexibility and efficiency. In this work, we consider Gaussian-gated localized MoE (GLoME) and block-diagonal covariance localized MoE (BLoME) regression models to present nonlinear relationships in heterogeneous data with potential hidden graph-structured interactions between high-dimensional predictors. These models pose difficult statistical estimation and model selection questions, both from a computational and theoretical perspective. This paper is devoted to the study of the problem of model selection among a collection of GLoME or BLoME models characterized by the number of mixture components, the complexity of Gaussian mean experts, and the hidden block-diagonal structures of the covariance matrices, in a penalized maximum likelihood estimation framework. In particular, we establish non-asymptotic risk bounds that take the form of weak oracle inequalities, provided that lower bounds for the penalties hold. The good empirical behavior of our models is then demonstrated on synthetic and real datasets.

We present Compound Conditioned ControlNet, C3Net, a novel generative neural architecture taking conditions from multiple modalities and synthesizing multimodal contents simultaneously (e.g., image, text, audio). C3Net adapts the ControlNet architecture to jointly train and make inferences on a production-ready diffusion model and its trainable copies. Specifically, C3Net first aligns the conditions from multi-modalities to the same semantic latent space using modality-specific encoders based on contrastive training. Then, it generates multimodal outputs based on the aligned latent space, whose semantic information is combined using a ControlNet-like architecture called Control C3-UNet. Correspondingly, with this system design, our model offers an improved solution for joint-modality generation through learning and explaining multimodal conditions instead of simply taking linear interpolations on the latent space. Meanwhile, as we align conditions to a unified latent space, C3Net only requires one trainable Control C3-UNet to work on multimodal semantic information. Furthermore, our model employs unimodal pretraining on the condition alignment stage, outperforming the non-pretrained alignment even on relatively scarce training data and thus demonstrating high-quality compound condition generation. We contribute the first high-quality tri-modal validation set to validate quantitatively that C3Net outperforms or is on par with first and contemporary state-of-the-art multimodal generation. Our codes and tri-modal dataset will be released.

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).

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

The Mixture of Experts (MoE) is a widely known neural architecture where an ensemble of specialized sub-models optimizes overall performance with a constant computational cost. However, conventional MoEs pose challenges at scale due to the need to store all experts in memory. In this paper, we push MoE to the limit. We propose extremely parameter-efficient MoE by uniquely combining MoE architecture with lightweight experts.Our MoE architecture outperforms standard parameter-efficient fine-tuning (PEFT) methods and is on par with full fine-tuning by only updating the lightweight experts -- less than 1% of an 11B parameters model. Furthermore, our method generalizes to unseen tasks as it does not depend on any prior task knowledge. Our research underscores the versatility of the mixture of experts architecture, showcasing its ability to deliver robust performance even when subjected to rigorous parameter constraints. Our code used in all the experiments is publicly available here: https://github.com/for-ai/parameter-efficient-moe.

We propose TR0N, a highly general framework to turn pre-trained unconditional generative models, such as GANs and VAEs, into conditional models. The conditioning can be highly arbitrary, and requires only a pre-trained auxiliary model. For example, we show how to turn unconditional models into class-conditional ones with the help of a classifier, and also into text-to-image models by leveraging CLIP. TR0N learns a lightweight stochastic mapping which "translates" between the space of conditions and the latent space of the generative model, in such a way that the generated latent corresponds to a data sample satisfying the desired condition. The translated latent samples are then further improved upon through Langevin dynamics, enabling us to obtain higher-quality data samples. TR0N requires no training data nor fine-tuning, yet can achieve a zero-shot FID of 10.9 on MS-COCO, outperforming competing alternatives not only on this metric, but also in sampling speed -- all while retaining a much higher level of generality. Our code is available at https://github.com/layer6ai-labs/tr0n.

We introduce a new domain expert mixture (DEMix) layer that enables conditioning a language model (LM) on the domain of the input text. A DEMix layer is a collection of expert feedforward networks, each specialized to a domain, that makes the LM modular: experts can be mixed, added or removed after initial training. Extensive experiments with autoregressive transformer LMs (up to 1.3B parameters) show that DEMix layers reduce test-time perplexity, increase training efficiency, and enable rapid adaptation with little overhead. We show that mixing experts during inference, using a parameter-free weighted ensemble, allows the model to better generalize to heterogeneous or unseen domains. We also show that experts can be added to iteratively incorporate new domains without forgetting older ones, and that experts can be removed to restrict access to unwanted domains, without additional training. Overall, these results demonstrate benefits of explicitly conditioning on textual domains during language modeling.

Generative adversarial networks (GANs) with clustered latent spaces can perform conditional generation in a completely unsupervised manner. In the real world, the salient attributes of unlabeled data can be imbalanced. However, most of existing unsupervised conditional GANs cannot cluster attributes of these data in their latent spaces properly because they assume uniform distributions of the attributes. To address this problem, we theoretically derive Stein latent optimization that provides reparameterizable gradient estimations of the latent distribution parameters assuming a Gaussian mixture prior in a continuous latent space. Structurally, we introduce an encoder network and novel unsupervised conditional contrastive loss to ensure that data generated from a single mixture component represent a single attribute. We confirm that the proposed method, named Stein Latent Optimization for GANs (SLOGAN), successfully learns balanced or imbalanced attributes and achieves state-of-the-art unsupervised conditional generation performance even in the absence of attribute information (e.g., the imbalance ratio). Moreover, we demonstrate that the attributes to be learned can be manipulated using a small amount of probe data.

In recent years, rapid progress has been made on the problem of single-channel sound separation using supervised training of deep neural networks. In such supervised approaches, a model is trained to predict the component sources from synthetic mixtures created by adding up isolated ground-truth sources. Reliance on this synthetic training data is problematic because good performance depends upon the degree of match between the training data and real-world audio, especially in terms of the acoustic conditions and distribution of sources. The acoustic properties can be challenging to accurately simulate, and the distribution of sound types may be hard to replicate. In this paper, we propose a completely unsupervised method, mixture invariant training (MixIT), that requires only single-channel acoustic mixtures. In MixIT, training examples are constructed by mixing together existing mixtures, and the model separates them into a variable number of latent sources, such that the separated sources can be remixed to approximate the original mixtures. We show that MixIT can achieve competitive performance compared to supervised methods on speech separation. Using MixIT in a semi-supervised learning setting enables unsupervised domain adaptation and learning from large amounts of real world data without ground-truth source waveforms. In particular, we significantly improve reverberant speech separation performance by incorporating reverberant mixtures, train a speech enhancement system from noisy mixtures, and improve universal sound separation by incorporating a large amount of in-the-wild data.

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in learning a family of sub-Gaussian probability distributions. We introduce a notion of complexity for probability distributions in terms of their relative density with respect to the standard Gaussian measure. We prove that if the log-relative density can be locally approximated by a neural network whose parameters can be suitably bounded, then the distribution generated by empirical score matching approximates the target distribution in total variation with a dimension-independent rate. We illustrate our theory through examples, which include certain mixtures of Gaussians. An essential ingredient of our proof is to derive a dimension-free deep neural network approximation rate for the true score function associated with the forward process, which is interesting in its own right.

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

Mixture of Experts (MoE), an ensemble of specialized models equipped with a router that dynamically distributes each input to appropriate experts, has achieved successful results in the field of machine learning. However, theoretical understanding of this architecture is falling behind due to its inherent complexity. In this paper, we theoretically study the sample and runtime complexity of MoE following the stochastic gradient descent (SGD) when learning a regression task with an underlying cluster structure of single index models. On the one hand, we prove that a vanilla neural network fails in detecting such a latent organization as it can only process the problem as a whole. This is intrinsically related to the concept of information exponent which is low for each cluster, but increases when we consider the entire task. On the other hand, we show that a MoE succeeds in dividing this problem into easier subproblems by leveraging the ability of each expert to weakly recover the simpler function corresponding to an individual cluster. To the best of our knowledge, this work is among the first to explore the benefits of the MoE framework by examining its SGD dynamics in the context of nonlinear regression.

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.

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.

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.

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.

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.

Multi-Task Reinforcement Learning (MTRL) tackles the long-standing problem of endowing agents with skills that generalize across a variety of problems. To this end, sharing representations plays a fundamental role in capturing both unique and common characteristics of the tasks. Tasks may exhibit similarities in terms of skills, objects, or physical properties while leveraging their representations eases the achievement of a universal policy. Nevertheless, the pursuit of learning a shared set of diverse representations is still an open challenge. In this paper, we introduce a novel approach for representation learning in MTRL that encapsulates common structures among the tasks using orthogonal representations to promote diversity. Our method, named Mixture Of Orthogonal Experts (MOORE), leverages a Gram-Schmidt process to shape a shared subspace of representations generated by a mixture of experts. When task-specific information is provided, MOORE generates relevant representations from this shared subspace. We assess the effectiveness of our approach on two MTRL benchmarks, namely MiniGrid and MetaWorld, showing that MOORE surpasses related baselines and establishes a new state-of-the-art result on MetaWorld.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Building general-purpose models that can effectively perceive the world through multimodal signals has been a long-standing goal. Current approaches involve integrating separately pre-trained components, such as connecting vision encoders to LLMs and continuing multimodal training. While such approaches exhibit remarkable sample efficiency, it remains an open question whether such late-fusion architectures are inherently superior. In this work, we revisit the architectural design of native multimodal models (NMMs)--those trained from the ground up on all modalities--and conduct an extensive scaling laws study, spanning 457 trained models with different architectures and training mixtures. Our investigation reveals no inherent advantage to late-fusion architectures over early-fusion ones, which do not rely on image encoders. On the contrary, early-fusion exhibits stronger performance at lower parameter counts, is more efficient to train, and is easier to deploy. Motivated by the strong performance of the early-fusion architectures, we show that incorporating Mixture of Experts (MoEs) allows for models that learn modality-specific weights, significantly enhancing performance.

Most deep neural networks are trained under fixed network architectures and require retraining when the architecture changes. If expanding the network's size is needed, it is necessary to retrain from scratch, which is expensive. To avoid this, one can grow from a small network by adding random weights over time to gradually achieve the target network size. However, this naive approach falls short in practice as it brings too much noise to the growing process. Prior work tackled this issue by leveraging the already learned weights and training data for generating new weights through conducting a computationally expensive analysis step. In this paper, we introduce MixtureGrowth, a new approach to growing networks that circumvents the initialization overhead in prior work. Before growing, each layer in our model is generated with a linear combination of parameter templates. Newly grown layer weights are generated by using a new linear combination of existing templates for a layer. On one hand, these templates are already trained for the task, providing a strong initialization. On the other, the new coefficients provide flexibility for the added layer weights to learn something new. We show that our approach boosts top-1 accuracy over the state-of-the-art by 2-2.5% on CIFAR-100 and ImageNet datasets, while achieving comparable performance with fewer FLOPs to a larger network trained from scratch. Code is available at https://github.com/chaudatascience/mixturegrowth.

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.

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.

Traditional multi-task learning (MTL) methods use dense networks that use the same set of shared weights across several different tasks. This often creates interference where two or more tasks compete to pull model parameters in different directions. In this work, we study whether sparsely activated Mixture-of-Experts (MoE) improve multi-task learning by specializing some weights for learning shared representations and using the others for learning task-specific information. To this end, we devise task-aware gating functions to route examples from different tasks to specialized experts which share subsets of network weights conditioned on the task. This results in a sparsely activated multi-task model with a large number of parameters, but with the same computational cost as that of a dense model. We demonstrate such sparse networks to improve multi-task learning along three key dimensions: (i) transfer to low-resource tasks from related tasks in the training mixture; (ii) sample-efficient generalization to tasks not seen during training by making use of task-aware routing from seen related tasks; (iii) robustness to the addition of unrelated tasks by avoiding catastrophic forgetting of existing tasks.

We present a neural framework for learning conditional optimal transport (OT) maps between probability distributions. Our approach introduces a conditioning mechanism capable of processing both categorical and continuous conditioning variables simultaneously. At the core of our method lies a hypernetwork that generates transport layer parameters based on these inputs, creating adaptive mappings that outperform simpler conditioning methods. Comprehensive ablation studies demonstrate the superior performance of our method over baseline configurations. Furthermore, we showcase an application to global sensitivity analysis, offering high performance in computing OT-based sensitivity indices. This work advances the state-of-the-art in conditional optimal transport, enabling broader application of optimal transport principles to complex, high-dimensional domains such as generative modeling and black-box model explainability.

This work introduces a novel class of channel estimators tailored for coarse quantization systems. The proposed estimators are founded on conditionally Gaussian latent generative models, specifically Gaussian mixture models (GMMs), mixture of factor analyzers (MFAs), and variational autoencoders (VAEs). These models effectively learn the unknown channel distribution inherent in radio propagation scenarios, providing valuable prior information. Conditioning on the latent variable of these generative models yields a locally Gaussian channel distribution, thus enabling the application of the well-known Bussgang decomposition. By exploiting the resulting conditional Bussgang decomposition, we derive parameterized linear minimum mean square error (MMSE) estimators for the considered generative latent variable models. In this context, we explore leveraging model-based structural features to reduce memory and complexity overhead associated with the proposed estimators. Furthermore, we devise necessary training adaptations, enabling direct learning of the generative models from quantized pilot observations without requiring ground-truth channel samples during the training phase. Through extensive simulations, we demonstrate the superiority of our introduced estimators over existing state-of-the-art methods for coarsely quantized systems, as evidenced by significant improvements in mean square error (MSE) and achievable rate metrics.

Scaling the size of a model enhances its capabilities but significantly increases computation complexity. Mixture-of-Experts models (MoE) address the issue by allowing model size to scale up without substantially increasing training or inference costs. Despite their promising results, MoE models encounter several challenges. Primarily, for dynamic routing methods, the dispersion of training tokens across multiple experts can lead to underfitting, particularly for infrequent tokens. Additionally, while fixed routing methods can mitigate that issue, they compromise on the diversity of representations. In this paper, we propose MaskMoE, a method designed to enhance token-level learning by employing a routing masking technique within the Mixture-of-Experts model. MaskMoE is capable of maintaining representation diversity while achieving more comprehensive training. Experimental results demonstrate that our method outperforms previous dominant Mixture-of-Experts models in terms of both perplexity (PPL) and downstream task performance.

The Mixture-of-Experts (MoE) architecture is showing promising results in improving parameter sharing in multi-task learning (MTL) and in scaling high-capacity neural networks. State-of-the-art MoE models use a trainable sparse gate to select a subset of the experts for each input example. While conceptually appealing, existing sparse gates, such as Top-k, are not smooth. The lack of smoothness can lead to convergence and statistical performance issues when training with gradient-based methods. In this paper, we develop DSelect-k: a continuously differentiable and sparse gate for MoE, based on a novel binary encoding formulation. The gate can be trained using first-order methods, such as stochastic gradient descent, and offers explicit control over the number of experts to select. We demonstrate the effectiveness of DSelect-k on both synthetic and real MTL datasets with up to 128 tasks. Our experiments indicate that DSelect-k can achieve statistically significant improvements in prediction and expert selection over popular MoE gates. Notably, on a real-world, large-scale recommender system, DSelect-k achieves over 22% improvement in predictive performance compared to Top-k. We provide an open-source implementation of DSelect-k.

The growing computational demands of large language models (LLMs) make efficient inference and activation strategies increasingly critical. While recent approaches, such as Mixture-of-Experts (MoE), leverage selective activation but require specialized training, training-free sparse activation methods offer broader applicability and superior resource efficiency through their plug-and-play design. However, many existing methods rely solely on hidden state magnitudes to determine activation, resulting in high approximation errors and suboptimal inference accuracy. To address these limitations, we propose WINA (Weight Informed Neuron Activation), a novel, simple, and training-free sparse activation framework that jointly considers hidden state magnitudes and the column-wise ell_2-norms of weight matrices. We show that this leads to a sparsification strategy that obtains optimal approximation error bounds with theoretical guarantees tighter than existing techniques. Empirically, WINA also outperforms state-of-the-art methods (e.g., TEAL) by up to 2.94% in average performance at the same sparsity levels, across a diverse set of LLM architectures and datasets. These results position WINA as a new performance frontier for training-free sparse activation in LLM inference, advancing training-free sparse activation methods and setting a robust baseline for efficient inference. The source code is available at https://github.com/microsoft/wina.

Training data compositions for Large Language Models (LLMs) can significantly affect their downstream performance. However, a thorough data ablation study exploring large sets of candidate data mixtures is typically prohibitively expensive since the full effect is seen only after training the models; this can lead practitioners to settle for sub-optimal data mixtures. We propose an efficient method for approximating data ablations which trains individual models on subsets of a training corpus and reuses them across evaluations of combinations of subsets. In continued pre-training experiments, we find that, given an arbitrary evaluation set, the perplexity score of a single model trained on a candidate set of data is strongly correlated with perplexity scores of parameter averages of models trained on distinct partitions of that data. From this finding, we posit that researchers and practitioners can conduct inexpensive simulations of data ablations by maintaining a pool of models that were each trained on partitions of a large training corpus, and assessing candidate data mixtures by evaluating parameter averages of combinations of these models. This approach allows for substantial improvements in amortized training efficiency -- scaling only linearly with respect to new data -- by enabling reuse of previous training computation, opening new avenues for improving model performance through rigorous, incremental data assessment and mixing.

We demonstrate that a deep model can be reparametrized as a linear combination of several randomly initialized and frozen deep models in the weight space. During training, we seek local minima that reside within the subspace spanned by these random models (i.e., `basis' networks). Our framework, PRANC, enables significant compaction of a deep model. The model can be reconstructed using a single scalar `seed,' employed to generate the pseudo-random `basis' networks, together with the learned linear mixture coefficients. In practical applications, PRANC addresses the challenge of efficiently storing and communicating deep models, a common bottleneck in several scenarios, including multi-agent learning, continual learners, federated systems, and edge devices, among others. In this study, we employ PRANC to condense image classification models and compress images by compacting their associated implicit neural networks. PRANC outperforms baselines with a large margin on image classification when compressing a deep model almost 100 times. Moreover, we show that PRANC enables memory-efficient inference by generating layer-wise weights on the fly. The source code of PRANC is here: https://github.com/UCDvision/PRANC

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.

We propose a projection pursuit (PP) algorithm based on Gaussian mixture models (GMMs). The negentropy obtained from a multivariate density estimated by GMMs is adopted as the PP index to be maximised. For a fixed dimension of the projection subspace, the GMM-based density estimation is projected onto that subspace, where an approximation of the negentropy for Gaussian mixtures is computed. Then, Genetic Algorithms (GAs) are used to find the optimal, orthogonal projection basis by maximising the former approximation. We show that this semi-parametric approach to PP is flexible and allows highly informative structures to be detected, by projecting multivariate datasets onto a subspace, where the data can be feasibly visualised. The performance of the proposed approach is shown on both artificial and real datasets.

In online incremental learning, data continuously arrives with substantial distributional shifts, creating a significant challenge because previous samples have limited replay value when learning a new task. Prior research has typically relied on either a single adaptive centroid or multiple fixed centroids to represent each class in the latent space. However, such methods struggle when class data streams are inherently multimodal and require continual centroid updates. To overcome this, we introduce an online Mixture Model learning framework grounded in Optimal Transport theory (MMOT), where centroids evolve incrementally with new data. This approach offers two main advantages: (i) it provides a more precise characterization of complex data streams, and (ii) it enables improved class similarity estimation for unseen samples during inference through MMOT-derived centroids. Furthermore, to strengthen representation learning and mitigate catastrophic forgetting, we design a Dynamic Preservation strategy that regulates the latent space and maintains class separability over time. Experimental evaluations on benchmark datasets confirm the superior effectiveness of our proposed method.

The Mixture-of-Experts (MoE) architecture has become a predominant paradigm for scaling large language models (LLMs). Despite offering strong performance and computational efficiency, large MoE-based LLMs like DeepSeek-V3-0324 and Kimi-K2-Instruct present serious challenges due to substantial memory requirements in deployment. While recent works have explored MoE compression to address this issue, existing methods often suffer from considerable accuracy drops (e.g., 7-14% relatively) even at modest compression rates. This paper introduces a novel Mixture-of-Basis-Experts (MoBE) method that achieves model compression while incurring minimal accuracy drops. Specifically, each up/gate matrix in an expert is decomposed via a rank decomposition as W = AB, where matrix A is unique to each expert. The relatively larger matrix B is further re-parameterized as a linear combination of basis matrices {Bi} shared across all experts within a given MoE layer. The factorization is learned by minimizing the reconstruction error relative to the original weight matrices. Experiments demonstrate that MoBE achieves notably lower accuracy drops compared to prior works. For instance, MoBE can reduce the parameter counts of Qwen3-235B-A22B-2507, DeepSeek-V3-0324 (671B) and Kimi-K2-Instruct (1T) by 24%-30% with only 1%-2% accuracy drop (about 2% drops when measured relatively).

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.

Recent years have seen a growing interest and adoption of LLMs, with muTransfer becoming a key technique for tuning hyperparameters in large-scale training. Meanwhile, Mixture-of-Experts (MoE) has emerged as a leading architecture in extremely large models. However, the intersection of these two advancements has remained unexplored. In this work, we derive a mu-Parameterization (muP) for MoE, providing theoretical guarantees for feature learning across model widths in both the router and experts. We empirically validate our parameterization and further investigate how scaling the number of experts and granularity affects the optimal learning rate.

Mixture-of-Experts (MoE) has emerged as a prominent architecture for scaling model size while maintaining computational efficiency. In MoE, each token in the input sequence activates a different subset of experts determined by a routing mechanism. However, the unchosen experts in MoE models do not contribute to the output, potentially leading to underutilization of the model's capacity. In this work, we first conduct exploratory studies to demonstrate that increasing the number of activated experts does not necessarily improve and can even degrade the output quality. Then, we show that output distributions from an MoE model using different routing strategies substantially differ, indicating that different experts do not always act synergistically. Motivated by these findings, we propose Self-Contrast Mixture-of-Experts (SCMoE), a training-free strategy that utilizes unchosen experts in a self-contrast manner during inference. In SCMoE, the next-token probabilities are determined by contrasting the outputs from strong and weak activation using the same MoE model. Our method is conceptually simple and computationally lightweight, as it incurs minimal latency compared to greedy decoding. Experiments on several benchmarks (GSM8K, StrategyQA, MBPP and HumanEval) demonstrate that SCMoE can consistently enhance Mixtral 8x7B's reasoning capability across various domains. For example, it improves the accuracy on GSM8K from 61.79 to 66.94. Moreover, combining SCMoE with self-consistency yields additional gains, increasing major@20 accuracy from 75.59 to 78.31.

We address the problem of biased gradient estimation in deep Boltzmann machines (DBMs). The existing method to obtain an unbiased estimator uses a maximal coupling based on a Gibbs sampler, but when the state is high-dimensional, it takes a long time to converge. In this study, we propose to use a coupling based on the Metropolis-Hastings (MH) and to initialize the state around a local mode of the target distribution. Because of the propensity of MH to reject proposals, the coupling tends to converge in only one step with a high probability, leading to high efficiency. We find that our method allows DBMs to be trained in an end-to-end fashion without greedy pretraining. We also propose some practical techniques to further improve the performance of DBMs. We empirically demonstrate that our training algorithm enables DBMs to show comparable generative performance to other deep generative models, achieving the FID score of 10.33 for MNIST.

Large Language Models (LLMs) exhibit strong generalization capabilities to novel tasks when prompted with language instructions and in-context demos. Since this ability sensitively depends on the quality of prompts, various methods have been explored to automate the instruction design. While these methods demonstrated promising results, they also restricted the searched prompt to one instruction. Such simplification significantly limits their capacity, as a single demo-free instruction might not be able to cover the entire complex problem space of the targeted task. To alleviate this issue, we adopt the Mixture-of-Expert paradigm and divide the problem space into a set of sub-regions; Each sub-region is governed by a specialized expert, equipped with both an instruction and a set of demos. A two-phase process is developed to construct the specialized expert for each region: (1) demo assignment: Inspired by the theoretical connection between in-context learning and kernel regression, we group demos into experts based on their semantic similarity; (2) instruction assignment: A region-based joint search of an instruction per expert complements the demos assigned to it, yielding a synergistic effect. The resulting method, codenamed Mixture-of-Prompts (MoP), achieves an average win rate of 81% against prior arts across several major benchmarks.

Most meta-learning methods assume that the (very small) context set used to establish a new task at test time is passively provided. In some settings, however, it is feasible to actively select which points to label; the potential gain from a careful choice is substantial, but the setting requires major differences from typical active learning setups. We clarify the ways in which active meta-learning can be used to label a context set, depending on which parts of the meta-learning process use active learning. Within this framework, we propose a natural algorithm based on fitting Gaussian mixtures for selecting which points to label; though simple, the algorithm also has theoretical motivation. The proposed algorithm outperforms state-of-the-art active learning methods when used with various meta-learning algorithms across several benchmark datasets.

Dense-to-sparse gating mixture of experts (MoE) has recently become an effective alternative to a well-known sparse MoE. Rather than fixing the number of activated experts as in the latter model, which could limit the investigation of potential experts, the former model utilizes the temperature to control the softmax weight distribution and the sparsity of the MoE during training in order to stabilize the expert specialization. Nevertheless, while there are previous attempts to theoretically comprehend the sparse MoE, a comprehensive analysis of the dense-to-sparse gating MoE has remained elusive. Therefore, we aim to explore the impacts of the dense-to-sparse gate on the maximum likelihood estimation under the Gaussian MoE in this paper. We demonstrate that due to interactions between the temperature and other model parameters via some partial differential equations, the convergence rates of parameter estimations are slower than any polynomial rates, and could be as slow as O(1/log(n)), where n denotes the sample size. To address this issue, we propose using a novel activation dense-to-sparse gate, which routes the output of a linear layer to an activation function before delivering them to the softmax function. By imposing linearly independence conditions on the activation function and its derivatives, we show that the parameter estimation rates are significantly improved to polynomial rates.

Recent years have witnessed a surge in the number of large language models (LLMs), yet efficiently managing and utilizing these vast resources remains a significant challenge. In this work, we explore how to learn compact representations of LLM abilities that can facilitate downstream tasks, such as model routing and performance prediction on new benchmarks. We frame this problem as estimating the probability that a given model will correctly answer a specific query. Inspired by the item response theory (IRT) in psychometrics, we model this probability as a function of three key factors: (i) the model's multi-skill ability vector, (2) the query's discrimination vector that separates models of differing skills, and (3) the query's difficulty scalar. To learn these parameters jointly, we introduce a Mixture-of-Experts (MoE) network that couples model- and query-level embeddings. Extensive experiments demonstrate that our approach leads to state-of-the-art performance in both model routing and benchmark accuracy prediction. Moreover, analysis validates that the learned parameters encode meaningful, interpretable information about model capabilities and query characteristics.

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.

In recent years, significant efforts have been directed toward adapting modern neural network architectures for tabular data. However, despite their larger number of parameters and longer training and inference times, these models often fail to consistently outperform vanilla multilayer perceptron (MLP) neural networks. Moreover, MLP-based ensembles have recently demonstrated superior performance and efficiency compared to advanced deep learning methods. Therefore, rather than focusing on building deeper and more complex deep learning models, we propose investigating whether MLP neural networks can be replaced with more efficient architectures without sacrificing performance. In this paper, we first introduce GG MoE, a mixture-of-experts (MoE) model with a Gumbel-Softmax gating function. We then demonstrate that GG MoE with an embedding layer achieves the highest performance across 38 datasets compared to standard MoE and MLP models. Finally, we show that both MoE and GG MoE utilize significantly fewer parameters than MLPs, making them a promising alternative for scaling and ensemble methods.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

Hard-parameter sharing is a common strategy to train a single model jointly across diverse tasks. However, this often leads to task interference, impeding overall model performance. To address the issue, we propose a simple yet effective Supervised Mixture of Experts (S-MoE). Unlike traditional Mixture of Experts models, S-MoE eliminates the need for training gating functions by utilizing special guiding tokens to route each task to its designated expert. By assigning each task to a separate feedforward network, S-MoE overcomes the limitations of hard-parameter sharing. We further apply S-MoE to a speech-to-text model, enabling the model to process mixed-bandwidth input while jointly performing automatic speech recognition (ASR) and speech translation (ST). Experimental results demonstrate the effectiveness of the proposed S-MoE, achieving a 6.35% relative improvement in Word Error Rate (WER) when applied to both the encoder and decoder.

Multi-Head Mixture-of-Experts (MH-MoE) demonstrates superior performance by using the multi-head mechanism to collectively attend to information from various representation spaces within different experts. In this paper, we present a novel implementation of MH-MoE that maintains both FLOPs and parameter parity with sparse Mixture of Experts models. Experimental results on language models show that the new implementation yields quality improvements over both vanilla MoE and fine-grained MoE models. Additionally, our experiments demonstrate that MH-MoE is compatible with 1-bit Large Language Models (LLMs) such as BitNet.

While conditional diffusion models are known to have good coverage of the data distribution, they still face limitations in output diversity, particularly when sampled with a high classifier-free guidance scale for optimal image quality or when trained on small datasets. We attribute this problem to the role of the conditioning signal in inference and offer an improved sampling strategy for diffusion models that can increase generation diversity, especially at high guidance scales, with minimal loss of sample quality. Our sampling strategy anneals the conditioning signal by adding scheduled, monotonically decreasing Gaussian noise to the conditioning vector during inference to balance diversity and condition alignment. Our Condition-Annealed Diffusion Sampler (CADS) can be used with any pretrained model and sampling algorithm, and we show that it boosts the diversity of diffusion models in various conditional generation tasks. Further, using an existing pretrained diffusion model, CADS achieves a new state-of-the-art FID of 1.70 and 2.31 for class-conditional ImageNet generation at 256times256 and 512times512 respectively.

Inspired by the foundational works by Spivak and Fong and Cruttwell et al., we introduce a categorical framework to formalize Bayesian inference and learning. The two key ideas at play here are the notions of Bayesian inversions and the functor GL as constructed by Cruttwell et al.. In this context, we find that Bayesian learning is the simplest case of the learning paradigm. We then obtain categorical formulations of batch and sequential Bayes updates while also verifying that the two coincide in a specific example.

Diffusion probabilistic models (DPMs) have become a popular approach to conditional generation, due to their promising results and support for cross-modal synthesis. A key desideratum in conditional synthesis is to achieve high correspondence between the conditioning input and generated output. Most existing methods learn such relationships implicitly, by incorporating the prior into the variational lower bound. In this work, we take a different route -- we explicitly enhance input-output connections by maximizing their mutual information. To this end, we introduce a Conditional Discrete Contrastive Diffusion (CDCD) loss and design two contrastive diffusion mechanisms to effectively incorporate it into the denoising process, combining the diffusion training and contrastive learning for the first time by connecting it with the conventional variational objectives. We demonstrate the efficacy of our approach in evaluations with diverse multimodal conditional synthesis tasks: dance-to-music generation, text-to-image synthesis, as well as class-conditioned image synthesis. On each, we enhance the input-output correspondence and achieve higher or competitive general synthesis quality. Furthermore, the proposed approach improves the convergence of diffusion models, reducing the number of required diffusion steps by more than 35% on two benchmarks, significantly increasing the inference speed.

This paper introduces the Univariate Gaussian Mixture Model Neural Network (uGMM-NN), a novel neural architecture that embeds probabilistic reasoning directly into the computational units of deep networks. Unlike traditional neurons, which apply weighted sums followed by fixed nonlinearities, each uGMM-NN node parameterizes its activations as a univariate Gaussian mixture, with learnable means, variances, and mixing coefficients. This design enables richer representations by capturing multimodality and uncertainty at the level of individual neurons, while retaining the scalability of standard feedforward networks. We demonstrate that uGMM-NN can achieve competitive discriminative performance compared to conventional multilayer perceptrons, while additionally offering a probabilistic interpretation of activations. The proposed framework provides a foundation for integrating uncertainty-aware components into modern neural architectures, opening new directions for both discriminative and generative modeling.

Few Shot Class Incremental Learning (FSCIL) with few examples per class for each incremental session is the realistic setting of continual learning since obtaining large number of annotated samples is not feasible and cost effective. We present the framework MASIL as a step towards learning the maximal separable classifier. It addresses the common problem i.e forgetting of old classes and over-fitting to novel classes by learning the classifier weights to be maximally separable between classes forming a simplex Equiangular Tight Frame. We propose the idea of concept factorization explaining the collapsed features for base session classes in terms of concept basis and use these to induce classifier simplex for few shot classes. We further adds fine tuning to reduce any error occurred during factorization and train the classifier jointly on base and novel classes without retaining any base class samples in memory. Experimental results on miniImageNet, CIFAR-100 and CUB-200 demonstrate that MASIL outperforms all the benchmarks.

The application of mixture-of-experts (MoE) is gaining popularity due to its ability to improve model's performance. In an MoE structure, the gate layer plays a significant role in distinguishing and routing input features to different experts. This enables each expert to specialize in processing their corresponding sub-tasks. However, the gate's routing mechanism also gives rise to narrow vision: the individual MoE's expert fails to use more samples in learning the allocated sub-task, which in turn limits the MoE to further improve its generalization ability. To effectively address this, we propose a method called Mixture-of-Distilled-Expert (MoDE), which applies moderate mutual distillation among experts to enable each expert to pick up more features learned by other experts and gain more accurate perceptions on their original allocated sub-tasks. We conduct plenty experiments including tabular, NLP and CV datasets, which shows MoDE's effectiveness, universality and robustness. Furthermore, we develop a parallel study through innovatively constructing "expert probing", to experimentally prove why MoDE works: moderate distilling knowledge can improve each individual expert's test performances on their assigned tasks, leading to MoE's overall performance improvement.

Bayesian neural networks (BNNs) offer uncertainty quantification but come with the downside of substantially increased training and inference costs. Sparse BNNs have been investigated for efficient inference, typically by either slowly introducing sparsity throughout the training or by post-training compression of dense BNNs. The dilemma of how to cut down massive training costs remains, particularly given the requirement to learn about the uncertainty. To solve this challenge, we introduce Sparse Subspace Variational Inference (SSVI), the first fully sparse BNN framework that maintains a consistently highly sparse Bayesian model throughout the training and inference phases. Starting from a randomly initialized low-dimensional sparse subspace, our approach alternately optimizes the sparse subspace basis selection and its associated parameters. While basis selection is characterized as a non-differentiable problem, we approximate the optimal solution with a removal-and-addition strategy, guided by novel criteria based on weight distribution statistics. Our extensive experiments show that SSVI sets new benchmarks in crafting sparse BNNs, achieving, for instance, a 10-20x compression in model size with under 3\% performance drop, and up to 20x FLOPs reduction during training compared with dense VI training. Remarkably, SSVI also demonstrates enhanced robustness to hyperparameters, reducing the need for intricate tuning in VI and occasionally even surpassing VI-trained dense BNNs on both accuracy and uncertainty metrics.

Mixture of Experts (MoE) has emerged as a pivotal architectural paradigm for efficient scaling of Large Language Models (LLMs), operating through selective activation of parameter subsets for each input token. Nevertheless, conventional MoE architectures encounter substantial challenges, including excessive memory utilization and communication overhead during training and inference, primarily attributable to the proliferation of expert modules. In this paper, we introduce Mixture of Latent Experts (MoLE), a novel parameterization methodology that facilitates the mapping of specific experts into a shared latent space. Specifically, all expert operations are systematically decomposed into two principal components: a shared projection into a lower-dimensional latent space, followed by expert-specific transformations with significantly reduced parametric complexity. This factorized approach substantially diminishes parameter count and computational requirements. Beyond the pretraining implementation of the MoLE architecture, we also establish a rigorous mathematical framework for transforming pre-trained MoE models into the MoLE architecture, characterizing the sufficient conditions for optimal factorization and developing a systematic two-phase algorithm for this conversion process. Our comprehensive theoretical analysis demonstrates that MoLE significantly enhances computational efficiency across multiple dimensions while preserving model representational capacity. Empirical evaluations corroborate our theoretical findings, confirming that MoLE achieves performance comparable to standard MoE implementations while substantially reducing resource requirements.

The capacity of a neural network to absorb information is limited by its number of parameters. Conditional computation, where parts of the network are active on a per-example basis, has been proposed in theory as a way of dramatically increasing model capacity without a proportional increase in computation. In practice, however, there are significant algorithmic and performance challenges. In this work, we address these challenges and finally realize the promise of conditional computation, achieving greater than 1000x improvements in model capacity with only minor losses in computational efficiency on modern GPU clusters. We introduce a Sparsely-Gated Mixture-of-Experts layer (MoE), consisting of up to thousands of feed-forward sub-networks. A trainable gating network determines a sparse combination of these experts to use for each example. We apply the MoE to the tasks of language modeling and machine translation, where model capacity is critical for absorbing the vast quantities of knowledge available in the training corpora. We present model architectures in which a MoE with up to 137 billion parameters is applied convolutionally between stacked LSTM layers. On large language modeling and machine translation benchmarks, these models achieve significantly better results than state-of-the-art at lower computational cost.

Large monolithic generative models trained on massive amounts of data have become an increasingly dominant approach in AI research. In this paper, we argue that we should instead construct large generative systems by composing smaller generative models together. We show how such a compositional generative approach enables us to learn distributions in a more data-efficient manner, enabling generalization to parts of the data distribution unseen at training time. We further show how this enables us to program and construct new generative models for tasks completely unseen at training. Finally, we show that in many cases, we can discover separate compositional components from data.

This paper introduces KAMoE, a novel Mixture of Experts (MoE) framework based on Gated Residual Kolmogorov-Arnold Networks (GRKAN). We propose GRKAN as an alternative to the traditional gating function, aiming to enhance efficiency and interpretability in MoE modeling. Through extensive experiments on digital asset markets and real estate valuation, we demonstrate that KAMoE consistently outperforms traditional MoE architectures across various tasks and model types. Our results show that GRKAN exhibits superior performance compared to standard Gating Residual Networks, particularly in LSTM-based models for sequential tasks. We also provide insights into the trade-offs between model complexity and performance gains in MoE and KAMoE architectures.

We investigate how pair-wise data augmentation techniques like Mixup affect the sample complexity of finding optimal decision boundaries in a binary linear classification problem. For a family of data distributions with a separability constant kappa, we analyze how well the optimal classifier in terms of training loss aligns with the optimal one in test accuracy (i.e., Bayes optimal classifier). For vanilla training without augmentation, we uncover an interesting phenomenon named the curse of separability. As we increase kappa to make the data distribution more separable, the sample complexity of vanilla training increases exponentially in kappa; perhaps surprisingly, the task of finding optimal decision boundaries becomes harder for more separable distributions. For Mixup training, we show that Mixup mitigates this problem by significantly reducing the sample complexity. To this end, we develop new concentration results applicable to n^2 pair-wise augmented data points constructed from n independent data, by carefully dealing with dependencies between overlapping pairs. Lastly, we study other masking-based Mixup-style techniques and show that they can distort the training loss and make its minimizer converge to a suboptimal classifier in terms of test accuracy.

As language models scale, the amount of data they require grows -- yet many target data sources, such as low-resource languages or specialized domains, are inherently limited in size. A common strategy is to mix this scarce but valuable target data with abundant generic data, which presents a fundamental trade-off: too little target data in the mixture underexposes the model to the target domain, while too much target data repeats the same examples excessively, yielding diminishing returns and eventual overfitting. We study this trade-off across more than 2,000 language-model training runs spanning multiple model and target dataset sizes, as well as several data types, including multilingual, domain-specific, and quality-filtered mixtures. Across all settings, we find that repetition is a central driver of target-domain performance, and that mixture training tolerates much higher repetition than single-source training: scarce target corpora can be reused 15-20 times, with the optimal number of repetitions depending on the target data size, compute budget, and model scale. Next, we introduce a repetition-aware mixture scaling law that accounts for the decreasing value of repeated target tokens and the regularizing role of generic data. Optimizing the scaling law provides a principled way to compute effective mixture configurations, yielding practical mixture recommendations for pretraining under data constraints.

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.

In this manuscript we consider the problem of generalized linear estimation on Gaussian mixture data with labels given by a single-index model. Our first result is a sharp asymptotic expression for the test and training errors in the high-dimensional regime. Motivated by the recent stream of results on the Gaussian universality of the test and training errors in generalized linear estimation, we ask ourselves the question: "when is a single Gaussian enough to characterize the error?". Our formula allow us to give sharp answers to this question, both in the positive and negative directions. More precisely, we show that the sufficient conditions for Gaussian universality (or lack of thereof) crucially depend on the alignment between the target weights and the means and covariances of the mixture clusters, which we precisely quantify. In the particular case of least-squares interpolation, we prove a strong universality property of the training error, and show it follows a simple, closed-form expression. Finally, we apply our results to real datasets, clarifying some recent discussion in the literature about Gaussian universality of the errors in this context.

Despite the promise of Mixture of Experts (MoE) models in increasing parameter counts of Transformer models while maintaining training and inference costs, their application carries notable drawbacks. The key strategy of these models is to, for each processed token, activate at most a few experts - subsets of an extensive feed-forward layer. But this approach is not without its challenges. The operation of matching experts and tokens is discrete, which makes MoE models prone to issues like training instability and uneven expert utilization. Existing techniques designed to address these concerns, such as auxiliary losses or balance-aware matching, result either in lower model performance or are more difficult to train. In response to these issues, we propose Mixture of Tokens, a fully-differentiable model that retains the benefits of MoE architectures while avoiding the aforementioned difficulties. Rather than routing tokens to experts, this approach mixes tokens from different examples prior to feeding them to experts, enabling the model to learn from all token-expert combinations. Importantly, this mixing can be disabled to avoid mixing of different sequences during inference. Crucially, this method is fully compatible with both masked and causal Large Language Model training and inference.

Sparse expert models are a thirty-year old concept re-emerging as a popular architecture in deep learning. This class of architecture encompasses Mixture-of-Experts, Switch Transformers, Routing Networks, BASE layers, and others, all with the unifying idea that each example is acted on by a subset of the parameters. By doing so, the degree of sparsity decouples the parameter count from the compute per example allowing for extremely large, but efficient models. The resulting models have demonstrated significant improvements across diverse domains such as natural language processing, computer vision, and speech recognition. We review the concept of sparse expert models, provide a basic description of the common algorithms, contextualize the advances in the deep learning era, and conclude by highlighting areas for future work.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

The Mixture of Experts (MoE) architecture has excelled in Large Vision-Language Models (LVLMs), yet its potential in real-time open-vocabulary object detectors, which also leverage large-scale vision-language datasets but smaller models, remains unexplored. This work investigates this domain, revealing intriguing insights. In the shallow layers, experts tend to cooperate with diverse peers to expand the search space. While in the deeper layers, fixed collaborative structures emerge, where each expert maintains 2-3 fixed partners and distinct expert combinations are specialized in processing specific patterns. Concretely, we propose Dynamic-DINO, which extends Grounding DINO 1.5 Edge from a dense model to a dynamic inference framework via an efficient MoE-Tuning strategy. Additionally, we design a granularity decomposition mechanism to decompose the Feed-Forward Network (FFN) of base model into multiple smaller expert networks, expanding the subnet search space. To prevent performance degradation at the start of fine-tuning, we further propose a pre-trained weight allocation strategy for the experts, coupled with a specific router initialization. During inference, only the input-relevant experts are activated to form a compact subnet. Experiments show that, pretrained with merely 1.56M open-source data, Dynamic-DINO outperforms Grounding DINO 1.5 Edge, pretrained on the private Grounding20M dataset.

In this work, we present a variety of novel information-theoretic generalization bounds for learning algorithms, from the supersample setting of Steinke & Zakynthinou (2020)-the setting of the "conditional mutual information" framework. Our development exploits projecting the loss pair (obtained from a training instance and a testing instance) down to a single number and correlating loss values with a Rademacher sequence (and its shifted variants). The presented bounds include square-root bounds, fast-rate bounds, including those based on variance and sharpness, and bounds for interpolating algorithms etc. We show theoretically or empirically that these bounds are tighter than all information-theoretic bounds known to date on the same supersample setting.

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.

Adapting a pre-trained foundation model on downstream tasks should ensure robustness against distribution shifts without the need to retrain the whole model. Although existing weight interpolation methods are simple yet effective, we argue their static nature limits downstream performance while achieving efficiency. In this work, we propose DaWin, a training-free dynamic weight interpolation method that leverages the entropy of individual models over each unlabeled test sample to assess model expertise, and compute per-sample interpolation coefficients dynamically. Unlike previous works that typically rely on additional training to learn such coefficients, our approach requires no training. Then, we propose a mixture modeling approach that greatly reduces inference overhead raised by dynamic interpolation. We validate DaWin on the large-scale visual recognition benchmarks, spanning 14 tasks across robust fine-tuning -- ImageNet and derived five distribution shift benchmarks -- and multi-task learning with eight classification tasks. Results demonstrate that DaWin achieves significant performance gain in considered settings, with minimal computational overhead. We further discuss DaWin's analytic behavior to explain its empirical success.

For nonconvex optimization in machine learning, this article proves that every local minimum achieves the globally optimal value of the perturbable gradient basis model at any differentiable point. As a result, nonconvex machine learning is theoretically as supported as convex machine learning with a handcrafted basis in terms of the loss at differentiable local minima, except in the case when a preference is given to the handcrafted basis over the perturbable gradient basis. The proofs of these results are derived under mild assumptions. Accordingly, the proven results are directly applicable to many machine learning models, including practical deep neural networks, without any modification of practical methods. Furthermore, as special cases of our general results, this article improves or complements several state-of-the-art theoretical results on deep neural networks, deep residual networks, and overparameterized deep neural networks with a unified proof technique and novel geometric insights. A special case of our results also contributes to the theoretical foundation of representation learning.

Sparse Mixture-of-Experts (MoE) is a neural architecture design that can be utilized to add learnable parameters to Large Language Models (LLMs) without increasing inference cost. Instruction tuning is a technique for training LLMs to follow instructions. We advocate combining these two approaches, as we find that MoE models benefit more from instruction tuning than dense models. In particular, we conduct empirical studies across three experimental setups: (i) Direct finetuning on individual downstream tasks devoid of instruction tuning; (ii) Instructiontuning followed by in-context few-shot or zero-shot generalization on downstream tasks; and (iii) Instruction tuning supplemented by further finetuning on individual downstream tasks. In the first scenario, MoE models overall underperform dense models of identical computational capacity. This narrative, however, dramatically changes with the introduction of instruction tuning (second and third scenario), used independently or in conjunction with task-specific finetuning. Our most powerful model, FLAN-MOE-32B, surpasses the performance of FLAN-PALM-62B on four benchmark tasks, while using only a third of the FLOPs. The advancements embodied byFLAN-MOE inspire a reevaluation of the design principles of large-scale, high-performance language models in the framework of task-agnostic learning.

Mixture-of-experts (MoE) is gaining increasing attention due to its unique properties and remarkable performance, especially for language tasks. By sparsely activating a subset of parameters for each token, MoE architecture could increase the model size without sacrificing computational efficiency, achieving a better trade-off between performance and training costs. However, the underlying mechanism of MoE still lacks further exploration, and its modularization degree remains questionable. In this paper, we make an initial attempt to understand the inner workings of MoE-based large language models. Concretely, we comprehensively study the parametric and behavioral features of three recent MoE-based models and reveal some intriguing observations, including (1) Neurons act like fine-grained experts. (2) The router of MoE usually selects experts with larger output norms. (3) The expert diversity increases as the layer increases, while the last layer is an outlier. Based on the observations, we also provide suggestions for a broad spectrum of MoE practitioners, such as router design and expert allocation. We hope this work could shed light on future research on the MoE framework and other modular architectures. Code is available at https://github.com/kamanphoebe/Look-into-MoEs.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

Despite the significant breakthrough of Mixture-of-Experts (MoE), the increasing scale of these MoE models presents huge memory and storage challenges. Existing MoE pruning methods, which involve reducing parameter size with a uniform sparsity across all layers, often lead to suboptimal outcomes and performance degradation due to varying expert redundancy in different MoE layers. To address this, we propose a non-uniform pruning strategy, dubbed Differentiable Expert Pruning (DiEP), which adaptively adjusts pruning rates at the layer level while jointly learning inter-layer importance, effectively capturing the varying redundancy across different MoE layers. By transforming the global discrete search space into a continuous one, our method handles exponentially growing non-uniform expert combinations, enabling adaptive gradient-based pruning. Extensive experiments on five advanced MoE models demonstrate the efficacy of our method across various NLP tasks. Notably, DiEP retains around 92\% of original performance on Mixtral 8times7B with only half the experts, outperforming other pruning methods by up to 7.1\% on the challenging MMLU dataset.

We show that deep belief networks with binary hidden units can approximate any multivariate probability density under very mild integrability requirements on the parental density of the visible nodes. The approximation is measured in the L^q-norm for qin[1,infty] (q=infty corresponding to the supremum norm) and in Kullback-Leibler divergence. Furthermore, we establish sharp quantitative bounds on the approximation error in terms of the number of hidden units.

To build an artificial neural network like the biological intelligence system, recent works have unified numerous tasks into a generalist model, which can process various tasks with shared parameters and do not have any task-specific modules. While generalist models achieve promising results on various benchmarks, they have performance degradation on some tasks compared with task-specialized models. In this work, we find that interference among different tasks and modalities is the main factor to this phenomenon. To mitigate such interference, we introduce the Conditional Mixture-of-Experts (Conditional MoEs) to generalist models. Routing strategies under different levels of conditions are proposed to take both the training/inference cost and generalization ability into account. By incorporating the proposed Conditional MoEs, the recently proposed generalist model Uni-Perceiver can effectively mitigate the interference across tasks and modalities, and achieves state-of-the-art results on a series of downstream tasks via prompt tuning on 1% of downstream data. Moreover, the introduction of Conditional MoEs still holds the generalization ability of generalist models to conduct zero-shot inference on new tasks, e.g., video-text retrieval and video caption. Code and pre-trained generalist models shall be released.

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.

In standard autoregressive generation, an LLM predicts the next-token distribution, samples a discrete token, and then discards the distribution, passing only the sampled token as new input. To preserve this distribution's rich information, we propose Mixture of Inputs (MoI), a training-free method for autoregressive generation. After generating a token following the standard paradigm, we construct a new input that blends the generated discrete token with the previously discarded token distribution. Specifically, we employ a Bayesian estimation method that treats the token distribution as the prior, the sampled token as the observation, and replaces the conventional one-hot vector with the continuous posterior expectation as the new model input. MoI allows the model to maintain a richer internal representation throughout the generation process, resulting in improved text quality and reasoning capabilities. On mathematical reasoning, code generation, and PhD-level QA tasks, MoI consistently improves performance across multiple models including QwQ-32B, Nemotron-Super-49B, Gemma-3-27B, and DAPO-Qwen-32B, with no additional training and negligible computational overhead.

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

Class-incremental learning is becoming more popular as it helps models widen their applicability while not forgetting what they already know. A trend in this area is to use a mixture-of-expert technique, where different models work together to solve the task. However, the experts are usually trained all at once using whole task data, which makes them all prone to forgetting and increasing computational burden. To address this limitation, we introduce a novel approach named SEED. SEED selects only one, the most optimal expert for a considered task, and uses data from this task to fine-tune only this expert. For this purpose, each expert represents each class with a Gaussian distribution, and the optimal expert is selected based on the similarity of those distributions. Consequently, SEED increases diversity and heterogeneity within the experts while maintaining the high stability of this ensemble method. The extensive experiments demonstrate that SEED achieves state-of-the-art performance in exemplar-free settings across various scenarios, showing the potential of expert diversification through data in continual learning.

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.