Daily Papers

Traditionally, data selection has been studied in settings where all samples from prospective sources are fully revealed to a machine learning developer. However, in practical data exchange scenarios, data providers often reveal only a limited subset of samples before an acquisition decision is made. Recently, there have been efforts to fit scaling laws that predict model performance at any size and data source composition using the limited available samples. However, these scaling functions are black-box, computationally expensive to fit, highly susceptible to overfitting, or/and difficult to optimize for data selection. This paper proposes a framework called <projektor>, which predicts model performance and supports data selection decisions based on partial samples of prospective data sources. Our approach distinguishes itself from existing work by introducing a novel *two-stage* performance inference process. In the first stage, we leverage the Optimal Transport distance to predict the model's performance for any data mixture ratio within the range of disclosed data sizes. In the second stage, we extrapolate the performance to larger undisclosed data sizes based on a novel parameter-free mapping technique inspired by neural scaling laws. We further derive an efficient gradient-based method to select data sources based on the projected model performance. Evaluation over a diverse range of applications demonstrates that <projektor> significantly improves existing performance scaling approaches in terms of both the accuracy of performance inference and the computation costs associated with constructing the performance predictor. Also, <projektor> outperforms by a wide margin in data selection effectiveness compared to a range of other off-the-shelf solutions.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

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

Trainable layers such as convolutional building blocks are the standard network design choices by learning parameters to capture the global context through successive spatial operations. When designing an efficient network, trainable layers such as the depthwise convolution is the source of efficiency in the number of parameters and FLOPs, but there was little improvement to the model speed in practice. This paper argues that simple built-in parameter-free operations can be a favorable alternative to the efficient trainable layers replacing spatial operations in a network architecture. We aim to break the stereotype of organizing the spatial operations of building blocks into trainable layers. Extensive experimental analyses based on layer-level studies with fully-trained models and neural architecture searches are provided to investigate whether parameter-free operations such as the max-pool are functional. The studies eventually give us a simple yet effective idea for redesigning network architectures, where the parameter-free operations are heavily used as the main building block without sacrificing the model accuracy as much. Experimental results on the ImageNet dataset demonstrate that the network architectures with parameter-free operations could enjoy the advantages of further efficiency in terms of model speed, the number of the parameters, and FLOPs. Code and ImageNet pretrained models are available at https://github.com/naver-ai/PfLayer.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed ell^2 Lipschitz bounds, i.e. limited sensitivity to input perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP). We provide a ``direct'' parameterization, i.e., a smooth mapping from mathbb R^N onto the set of weights satisfying the SDP-based bound. Moreover, our parameterization is complete, i.e. a neural network satisfies the SDP bound if and only if it can be represented via our parameterization. This enables training using standard gradient methods, without any inner approximation or computationally intensive tasks (e.g. projections or barrier terms) for the SDP constraint. The new parameterization can equivalently be thought of as either a new layer type (the sandwich layer), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. A comprehensive set of experiments on image classification shows that sandwich layers outperform previous approaches on both empirical and certified robust accuracy. Code is available at https://github.com/acfr/LBDN.

We study the problem of optimizing a function under a budgeted number of evaluations. We only assume that the function is locally smooth around one of its global optima. The difficulty of optimization is measured in terms of 1) the amount of noise b of the function evaluation and 2) the local smoothness, d, of the function. A smaller d results in smaller optimization error. We come with a new, simple, and parameter-free approach. First, for all values of b and d, this approach recovers at least the state-of-the-art regret guarantees. Second, our approach additionally obtains these results while being agnostic to the values of both b and d. This leads to the first algorithm that naturally adapts to an unknown range of noise b and leads to significant improvements in a moderate and low-noise regime. Third, our approach also obtains a remarkable improvement over the state-of-the-art SOO algorithm when the noise is very low which includes the case of optimization under deterministic feedback (b=0). There, under our minimal local smoothness assumption, this improvement is of exponential magnitude and holds for a class of functions that covers the vast majority of functions that practitioners optimize (d=0). We show that our algorithmic improvement is borne out in experiments as we empirically show faster convergence on common benchmarks.

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

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/

We study reward-free reinforcement learning (RL) with linear function approximation, where the agent works in two phases: (1) in the exploration phase, the agent interacts with the environment but cannot access the reward; and (2) in the planning phase, the agent is given a reward function and is expected to find a near-optimal policy based on samples collected in the exploration phase. The sample complexities of existing reward-free algorithms have a polynomial dependence on the planning horizon, which makes them intractable for long planning horizon RL problems. In this paper, we propose a new reward-free algorithm for learning linear mixture Markov decision processes (MDPs), where the transition probability can be parameterized as a linear combination of known feature mappings. At the core of our algorithm is uncertainty-weighted value-targeted regression with exploration-driven pseudo-reward and a high-order moment estimator for the aleatoric and epistemic uncertainties. When the total reward is bounded by 1, we show that our algorithm only needs to explore tilde O( d^2varepsilon^{-2}) episodes to find an varepsilon-optimal policy, where d is the dimension of the feature mapping. The sample complexity of our algorithm only has a polylogarithmic dependence on the planning horizon and therefore is ``horizon-free''. In addition, we provide an Omega(d^2varepsilon^{-2}) sample complexity lower bound, which matches the sample complexity of our algorithm up to logarithmic factors, suggesting that our algorithm is optimal.

We introduce ReMatching, a novel shape correspondence solution based on the functional maps framework. Our method, by exploiting a new and appropriate re-meshing paradigm, can target shape-matching tasks even on meshes counting millions of vertices, where the original functional maps does not apply or requires a massive computational cost. The core of our procedure is a time-efficient remeshing algorithm which constructs a low-resolution geometry while acting conservatively on the original topology and metric. These properties allow translating the functional maps optimization problem on the resulting low-resolution representation, thus enabling efficient computation of correspondences with functional map approaches. Finally, we propose an efficient technique for extending the estimated correspondence to the original meshes. We show that our method is more efficient and effective through quantitative and qualitative comparisons, outperforming state-of-the-art pipelines in quality and computational cost.

We study compute efficiency of LLM training when using different parameterizations, i.e., rules for adjusting model and optimizer hyperparameters (HPs) as model size changes. Some parameterizations fail to transfer optimal base HPs (such as learning rate) across changes in model depth, requiring practitioners to either re-tune these HPs as they scale up (expensive), or accept sub-optimal training when re-tuning is prohibitive. Even when they achieve HP transfer, we develop theory to show parameterizations may still exist in the lazy learning regime where layers learn only features close to their linearization, preventing effective use of depth and nonlinearity. Finally, we identify and adopt the parameterization we call CompleteP that achieves both depth-wise HP transfer and non-lazy learning in all layers. CompleteP enables a wider range of model width/depth ratios to remain compute-efficient, unlocking shapes better suited for different hardware settings and operational contexts. Moreover, CompleteP enables 12-34% compute efficiency improvements over the prior state-of-the-art.

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

We present Semantify: a self-supervised method that utilizes the semantic power of CLIP language-vision foundation model to simplify the control of 3D morphable models. Given a parametric model, training data is created by randomly sampling the model's parameters, creating various shapes and rendering them. The similarity between the output images and a set of word descriptors is calculated in CLIP's latent space. Our key idea is first to choose a small set of semantically meaningful and disentangled descriptors that characterize the 3DMM, and then learn a non-linear mapping from scores across this set to the parametric coefficients of the given 3DMM. The non-linear mapping is defined by training a neural network without a human-in-the-loop. We present results on numerous 3DMMs: body shape models, face shape and expression models, as well as animal shapes. We demonstrate how our method defines a simple slider interface for intuitive modeling, and show how the mapping can be used to instantly fit a 3D parametric body shape to in-the-wild images.

The Stable Diffusion Model (SDM) is a prevalent and effective model for text-to-image (T2I) and image-to-image (I2I) generation. Despite various attempts at sampler optimization, model distillation, and network quantification, these approaches typically maintain the original network architecture. The extensive parameter scale and substantial computational demands have limited research into adjusting the model architecture. This study focuses on reducing redundant computation in SDM and optimizes the model through both tuning and tuning-free methods. 1) For the tuning method, we design a model assembly strategy to reconstruct a lightweight model while preserving performance through distillation. Second, to mitigate performance loss due to pruning, we incorporate multi-expert conditional convolution (ME-CondConv) into compressed UNets to enhance network performance by increasing capacity without sacrificing speed. Third, we validate the effectiveness of the multi-UNet switching method for improving network speed. 2) For the tuning-free method, we propose a feature inheritance strategy to accelerate inference by skipping local computations at the block, layer, or unit level within the network structure. We also examine multiple sampling modes for feature inheritance at the time-step level. Experiments demonstrate that both the proposed tuning and the tuning-free methods can improve the speed and performance of the SDM. The lightweight model reconstructed by the model assembly strategy increases generation speed by 22.4%, while the feature inheritance strategy enhances the SDM generation speed by 40.0%.

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been exclusively employed for diffusion models. In this paper, we integrate classifier-free guidance into Flow Matching (FM) models, an alternative simulation-free approach that trains Continuous Normalizing Flows (CNFs) based on regressing vector fields. We explore the usage of Guided Flows for a variety of downstream applications. We show that Guided Flows significantly improves the sample quality in conditional image generation and zero-shot text-to-speech synthesis, boasting state-of-the-art performance. Notably, we are the first to apply flow models for plan generation in the offline reinforcement learning setting, showcasing a 10x speedup in computation compared to diffusion models while maintaining comparable performance.

Empirical scaling laws prescribe how to allocate parameters, data, and compute, while maximal-update parameterization (muP) enables learning-rate transfer across widths by equalizing early-time update magnitudes. However, in modern scale-invariant architectures, training quickly enters an optimizer-governed steady state where normalization layers create backward scale sensitivity and the effective learning rate becomes width dependent, degrading muP transfer. We address this by introducing a weight-decay scaling rule for AdamW that preserves sublayer gain across widths. Empirically, the singular-value spectrum of each matrix parameter scales in norm as eta/lambda with an approximately invariant shape; under width scaling d, we observe that the top singular value scales approximately as eta/lambdacdot d^{0.75}. Combining this observation with the muP learning-rate rule eta_2propto d^{-1} for matrix-like parameters implies an empirical weight-decay scaling rule lambda_2propto d that approximately keeps sublayer gains width invariant. Together with vector-like parameters trained at eta_1=Theta_d(1) and lambda_1=0, this yields zero-shot transfer of both learning rate and weight decay from proxy to target widths, removing per-width sweeps. We validate the rule on LLaMA-style Transformers and in a minimal synthetic setting, and we provide a simple diagnostic, matching top singular values, to check sublayer-gain invariance. Our results extend muP beyond the near-init regime by explicitly controlling steady-state scales set by the optimizer, offering a practical recipe for width-robust hyperparameter transfer under AdamW.

Canonical surface mapping generalizes keypoint detection by assigning each pixel of an object to a corresponding point in a 3D template. Popularised by DensePose for the analysis of humans, authors have since attempted to apply the concept to more categories, but with limited success due to the high cost of manual supervision. In this work, we introduce SHIC, a method to learn canonical maps without manual supervision which achieves better results than supervised methods for most categories. Our idea is to leverage foundation computer vision models such as DINO and Stable Diffusion that are open-ended and thus possess excellent priors over natural categories. SHIC reduces the problem of estimating image-to-template correspondences to predicting image-to-image correspondences using features from the foundation models. The reduction works by matching images of the object to non-photorealistic renders of the template, which emulates the process of collecting manual annotations for this task. These correspondences are then used to supervise high-quality canonical maps for any object of interest. We also show that image generators can further improve the realism of the template views, which provide an additional source of supervision for the model.

The μ-parameterization (μP) provides a principled foundation for large language model (LLM) training by prescribing width-independent learning dynamics, which in turn enables predictable scaling behavior and robust hyperparameter transfer across model sizes. A central requirement of μP is the satisfaction of certain spectral conditions on weight matrices, which ensure consistent feature learning and optimization behavior as model width grows. While these conditions are well understood in theory, guaranteeing their validity in practical training for matrix-based optimizers such as Muon is still under studied. Existing works that study Muon under μP exhibit important limitations: they either do not ensure that the spectral conditions hold throughout the entire training horizon, or require repeated spectral normalization (or Newton-Schulz iterations) applied to both weights and updates, leading to significant computational overhead and reduced practicality. In this work, we show how to reliably guarantee the spectral conditions required by μP for Muon during the entire training process. Our key insight is that for moderately large models, maintaining spectral control at the level of optimizer updates alone is sufficient to preserve μP-compatible scaling, eliminating the need for explicit spectral normalization of the weights. Based on this principle, we develop a variant of Muon, namely Muon++, that satisfies spectral condition throughout the training process. Our results bridge the gap between the theoretical promises of μP and the practical deployment of matrix-based optimizers in long-horizon training. We also take the first step towards an adaptive spectral condition by incorporating data-dependent effects, making it better suited for long-horizon LLM training.

Text-guided image generation and editing using diffusion models have achieved remarkable advancements. Among these, tuning-free methods have gained attention for their ability to perform edits without extensive model adjustments, offering simplicity and efficiency. However, existing tuning-free approaches often struggle with balancing fidelity and editing precision. Reconstruction errors in DDIM Inversion are partly attributed to the cross-attention mechanism in U-Net, which introduces misalignments during the inversion and reconstruction process. To address this, we analyze reconstruction from a structural perspective and propose a novel approach that replaces traditional cross-attention with uniform attention maps, significantly enhancing image reconstruction fidelity. Our method effectively minimizes distortions caused by varying text conditions during noise prediction. To complement this improvement, we introduce an adaptive mask-guided editing technique that integrates seamlessly with our reconstruction approach, ensuring consistency and accuracy in editing tasks. Experimental results demonstrate that our approach not only excels in achieving high-fidelity image reconstruction but also performs robustly in real image composition and editing scenarios. This study underscores the potential of uniform attention maps to enhance the fidelity and versatility of diffusion-based image processing methods. Code is available at https://github.com/Mowenyii/Uniform-Attention-Maps.

Sequential learning paradigms pose challenges for gradient-based deep learning due to difficulties incorporating new data and retaining prior knowledge. While Gaussian processes elegantly tackle these problems, they struggle with scalability and handling rich inputs, such as images. To address these issues, we introduce a technique that converts neural networks from weight space to function space, through a dual parameterization. Our parameterization offers: (i) a way to scale function-space methods to large data sets via sparsification, (ii) retention of prior knowledge when access to past data is limited, and (iii) a mechanism to incorporate new data without retraining. Our experiments demonstrate that we can retain knowledge in continual learning and incorporate new data efficiently. We further show its strengths in uncertainty quantification and guiding exploration in model-based RL. Further information and code is available on the project website.

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

We present Free4D, a novel tuning-free framework for 4D scene generation from a single image. Existing methods either focus on object-level generation, making scene-level generation infeasible, or rely on large-scale multi-view video datasets for expensive training, with limited generalization ability due to the scarcity of 4D scene data. In contrast, our key insight is to distill pre-trained foundation models for consistent 4D scene representation, which offers promising advantages such as efficiency and generalizability. 1) To achieve this, we first animate the input image using image-to-video diffusion models followed by 4D geometric structure initialization. 2) To turn this coarse structure into spatial-temporal consistent multiview videos, we design an adaptive guidance mechanism with a point-guided denoising strategy for spatial consistency and a novel latent replacement strategy for temporal coherence. 3) To lift these generated observations into consistent 4D representation, we propose a modulation-based refinement to mitigate inconsistencies while fully leveraging the generated information. The resulting 4D representation enables real-time, controllable rendering, marking a significant advancement in single-image-based 4D scene generation.

We propose a novel mixed-integer programming (MIP) formulation for generating precise sparse correspondences for highly non-rigid shapes. To this end, we introduce a projected Laplace-Beltrami operator (PLBO) which combines intrinsic and extrinsic geometric information to measure the deformation quality induced by predicted correspondences. We integrate the PLBO, together with an orientation-aware regulariser, into a novel MIP formulation that can be solved to global optimality for many practical problems. In contrast to previous methods, our approach is provably invariant to rigid transformations and global scaling, initialisation-free, has optimality guarantees, and scales to high resolution meshes with (empirically observed) linear time. We show state-of-the-art results for sparse non-rigid matching on several challenging 3D datasets, including data with inconsistent meshing, as well as applications in mesh-to-point-cloud matching.

Generative foundation models are increasingly scaled in both width and depth, posing significant challenges for stable feature learning and reliable hyperparameter (HP) transfer across model sizes. While maximal update parameterization (μP) has provided a principled solution to both problems for width scaling, existing extensions to the joint width-depth scaling regime remain fragmented, architecture- and optimizer-specific, and often rely on technically involved theories. In this work, we develop a simple and unified spectral framework for μP under joint width-depth scaling. Considering residual networks of varying block depths, we first introduce a spectral μP condition that precisely characterizes how the norms of weights and their per-step updates should scale with width and depth, unifying previously disparate μP formulations as special cases. Building on this condition, we then derive a general recipe for implementing μP across a broad class of optimizers by mapping the spectral constraints to concrete HP parameterizations. This approach not only recovers existing μP formulations (e.g., for SGD and AdamW) but also naturally extends to a wider range of optimizers. Finally, experiments on GPT-2 style language models demonstrate that the proposed spectral μP condition preserves stable feature learning and enables robust HP transfer under width-depth scaling.

In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task -- Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.

Classifier-Free Guidance (CFG) has been a default technique in various visual generative models, yet it requires inference from both conditional and unconditional models during sampling. We propose to build visual models that are free from guided sampling. The resulting algorithm, Guidance-Free Training (GFT), matches the performance of CFG while reducing sampling to a single model, halving the computational cost. Unlike previous distillation-based approaches that rely on pretrained CFG networks, GFT enables training directly from scratch. GFT is simple to implement. It retains the same maximum likelihood objective as CFG and differs mainly in the parameterization of conditional models. Implementing GFT requires only minimal modifications to existing codebases, as most design choices and hyperparameters are directly inherited from CFG. Our extensive experiments across five distinct visual models demonstrate the effectiveness and versatility of GFT. Across domains of diffusion, autoregressive, and masked-prediction modeling, GFT consistently achieves comparable or even lower FID scores, with similar diversity-fidelity trade-offs compared with CFG baselines, all while being guidance-free. Code will be available at https://github.com/thu-ml/GFT.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

Image-to-image translation is a class of vision and graphics problems where the goal is to learn the mapping between an input image and an output image using a training set of aligned image pairs. However, for many tasks, paired training data will not be available. We present an approach for learning to translate an image from a source domain X to a target domain Y in the absence of paired examples. Our goal is to learn a mapping G: X rightarrow Y such that the distribution of images from G(X) is indistinguishable from the distribution Y using an adversarial loss. Because this mapping is highly under-constrained, we couple it with an inverse mapping F: Y rightarrow X and introduce a cycle consistency loss to push F(G(X)) approx X (and vice versa). Qualitative results are presented on several tasks where paired training data does not exist, including collection style transfer, object transfiguration, season transfer, photo enhancement, etc. Quantitative comparisons against several prior methods demonstrate the superiority of our approach.

Robust and effective scaling of models from small to large width typically requires the precise adjustment of many algorithmic and architectural details, such as parameterization and optimizer choices. In this work, we propose a new perspective on parameterization by investigating a key assumption in prior work about the alignment between parameters and data and derive new theoretical results under weaker assumptions and a broader set of optimizers. Our extensive empirical investigation includes tens of thousands of models trained with all combinations of three optimizers, four parameterizations, several alignment assumptions, more than a dozen learning rates, and fourteen model sizes up to 26.8B parameters. We find that the best learning rate scaling prescription would often have been excluded by the assumptions in prior work. Our results show that all parameterizations, not just maximal update parameterization (muP), can achieve hyperparameter transfer; moreover, our novel per-layer learning rate prescription for standard parameterization outperforms muP. Finally, we demonstrate that an overlooked aspect of parameterization, the epsilon parameter in Adam, must be scaled correctly to avoid gradient underflow and propose Adam-atan2, a new numerically stable, scale-invariant version of Adam that eliminates the epsilon hyperparameter entirely.

The primary axes of interest in image-generating diffusion models are image quality, the amount of variation in the results, and how well the results align with a given condition, e.g., a class label or a text prompt. The popular classifier-free guidance approach uses an unconditional model to guide a conditional model, leading to simultaneously better prompt alignment and higher-quality images at the cost of reduced variation. These effects seem inherently entangled, and thus hard to control. We make the surprising observation that it is possible to obtain disentangled control over image quality without compromising the amount of variation by guiding generation using a smaller, less-trained version of the model itself rather than an unconditional model. This leads to significant improvements in ImageNet generation, setting record FIDs of 1.01 for 64x64 and 1.25 for 512x512, using publicly available networks. Furthermore, the method is also applicable to unconditional diffusion models, drastically improving their quality.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

Diffusion models have achieved remarkable success in generative tasks but suffer from high computational costs due to their iterative sampling process and quadratic attention costs. Existing training-free acceleration strategies that reduce per-step computation cost, while effectively reducing sampling time, demonstrate low faithfulness compared to the original baseline. We hypothesize that this fidelity gap arises because (a) different prompts correspond to varying denoising trajectory, and (b) such methods do not consider the underlying ODE formulation and its numerical solution. In this paper, we propose Stability-guided Adaptive Diffusion Acceleration (SADA), a novel paradigm that unifies step-wise and token-wise sparsity decisions via a single stability criterion to accelerate sampling of ODE-based generative models (Diffusion and Flow-matching). For (a), SADA adaptively allocates sparsity based on the sampling trajectory. For (b), SADA introduces principled approximation schemes that leverage the precise gradient information from the numerical ODE solver. Comprehensive evaluations on SD-2, SDXL, and Flux using both EDM and DPM++ solvers reveal consistent ge 1.8times speedups with minimal fidelity degradation (LPIPS leq 0.10 and FID leq 4.5) compared to unmodified baselines, significantly outperforming prior methods. Moreover, SADA adapts seamlessly to other pipelines and modalities: It accelerates ControlNet without any modifications and speeds up MusicLDM by 1.8times with sim 0.01 spectrogram LPIPS.

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

Large Language Model training with 8-bit floating point (FP8) formats promises significant efficiency improvements, but reduced numerical precision makes training challenging. It is currently possible to train in FP8 only if one is willing to tune various hyperparameters, reduce model scale, or accept the overhead of computing dynamic scale factors. We demonstrate simple, scalable FP8 training that requires no dynamic scaling factors or special hyperparameters, even at large model sizes. Our method, munit Scaling (muS), also enables simple hyperparameter transfer across model widths, matched numerics across training and inference, and other desirable properties. munit Scaling is straightforward to implement, consisting of a set of minimal interventions based on a first-principles analysis of common transformer operations. We validate our method by training models from 1B to 13B parameters, performing all hidden linear layer computations in FP8. We achieve quality equal to higher precision baselines while also training up to 33% faster.

We consider the reinforcement learning (RL) problem with general utilities which consists in maximizing a function of the state-action occupancy measure. Beyond the standard cumulative reward RL setting, this problem includes as particular cases constrained RL, pure exploration and learning from demonstrations among others. For this problem, we propose a simpler single-loop parameter-free normalized policy gradient algorithm. Implementing a recursive momentum variance reduction mechanism, our algorithm achieves mathcal{O}(epsilon^{-3}) and mathcal{O}(epsilon^{-2}) sample complexities for epsilon-first-order stationarity and epsilon-global optimality respectively, under adequate assumptions. We further address the setting of large finite state action spaces via linear function approximation of the occupancy measure and show a mathcal{O}(epsilon^{-4}) sample complexity for a simple policy gradient method with a linear regression subroutine.

The push for efficient text to image synthesis has moved the field toward one step sampling, yet existing methods still face a three way tradeoff among fidelity, inference speed, and training efficiency. Approaches that rely on external discriminators can sharpen one step performance, but they often introduce training instability, high GPU memory overhead, and slow convergence, which complicates scaling and parameter efficient tuning. In contrast, regression based distillation and consistency objectives are easier to optimize, but they typically lose fine details when constrained to a single step. We present APEX, built on a key theoretical insight: adversarial correction signals can be extracted endogenously from a flow model through condition shifting. Using a transformation creates a shifted condition branch whose velocity field serves as an independent estimator of the model's current generation distribution, yielding a gradient that is provably GAN aligned, replacing the sample dependent discriminator terms that cause gradient vanishing. This discriminator free design is architecture preserving, making APEX a plug and play framework compatible with both full parameter and LoRA based tuning. Empirically, our 0.6B model surpasses FLUX-Schnell 12B (20times more parameters) in one step quality. With LoRA tuning on Qwen-Image 20B, APEX reaches a GenEval score of 0.89 at NFE=1 in 6 hours, surpassing the original 50-step teacher (0.87) and providing a 15.33times inference speedup. Code is available https://github.com/LINs-lab/APEX.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

The Maximal Update Parametrization (muP) aims to make the optimal hyperparameters (HPs) of a model independent of its size, allowing them to be swept using a cheap proxy model rather than the full-size target model. We present a new scheme, u-muP, which improves upon muP by combining it with Unit Scaling, a method for designing models that makes them easy to train in low-precision. The two techniques have a natural affinity: muP ensures that the scale of activations is independent of model size, and Unit Scaling ensures that activations, weights and gradients begin training with a scale of one. This synthesis opens the door to a simpler scheme, whose default values are near-optimal. This in turn facilitates a more efficient sweeping strategy, with u-muP models reaching a lower loss than comparable muP models and working out-of-the-box in FP8.

Reinforcement learning usually uses the feedback rewards of environmental to train agents. But the rewards in the actual environment are sparse, and even some environments will not rewards. Most of the current methods are difficult to get good performance in sparse reward or non-reward environments. Although using shaped rewards is effective when solving sparse reward tasks, it is limited to specific problems and learning is also susceptible to local optima. We propose a model-free method that does not rely on environmental rewards to solve the problem of sparse rewards in the general environment. Our method use the minimum number of transitions between states as the distance to replace the rewards of environmental, and proposes a goal-distance gradient to achieve policy improvement. We also introduce a bridge point planning method based on the characteristics of our method to improve exploration efficiency, thereby solving more complex tasks. Experiments show that our method performs better on sparse reward and local optimal problems in complex environments than previous work.

State-of-the-art flow models achieve remarkable quality but require slow, iterative sampling. To accelerate this, flow maps can be distilled from pre-trained teachers, a procedure that conventionally requires sampling from an external dataset. We argue that this data-dependency introduces a fundamental risk of Teacher-Data Mismatch, as a static dataset may provide an incomplete or even misaligned representation of the teacher's full generative capabilities. This leads us to question whether this reliance on data is truly necessary for successful flow map distillation. In this work, we explore a data-free alternative that samples only from the prior distribution, a distribution the teacher is guaranteed to follow by construction, thereby circumventing the mismatch risk entirely. To demonstrate the practical viability of this philosophy, we introduce a principled framework that learns to predict the teacher's sampling path while actively correcting for its own compounding errors to ensure high fidelity. Our approach surpasses all data-based counterparts and establishes a new state-of-the-art by a significant margin. Specifically, distilling from SiT-XL/2+REPA, our method reaches an impressive FID of 1.45 on ImageNet 256x256, and 1.49 on ImageNet 512x512, both with only 1 sampling step. We hope our work establishes a more robust paradigm for accelerating generative models and motivates the broader adoption of flow map distillation without data.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.

We consider a family of convex quadratic programs in which the coefficients of the linear objective term and the righthand side of the constraints are affine functions of a parameter. It is well known that the solution of such a parametrized quadratic program is a piecewise affine function of the parameter. The number of (polyhedral) regions in the solution map can grow exponentially in problem size, but when the number of regions is moderate, a so-called explicit solver is practical. Such a solver computes the coefficients of the affine functions and the linear inequalities defining the polyhedral regions offline; to solve a problem instance online it simply evaluates this explicit solution map. Potential advantages of an explicit solver over a more general purpose iterative solver can include transparency, interpretability, reliability, and speed. In this paper we describe how code generation can be used to automatically generate an explicit solver from a high level description of a parametrized quadratic program. Our method has been implemented in the open-source software CVXPYgen, which is part of CVXPY, a domain specific language for general convex optimization.

Large artificial neural networks have become a mainstay of language, vision, and audio processing and synthesis, yet their initializations and learning rates are often set in an unsophisticated fashion, due to the high cost of hyperparameter sweeps at scale. The mu-Parameterization (muP) offers a potential solution to this challenge, yielding scaling rules for model initialization and learning rates while reportedly enabling zero-shot hyperparameter transfer from small to large models. Despite its evident promise, the muP method is not yet widely adopted, perhaps due to higher implementation complexity, many variations, or complex theoretical background. This work investigates muP empirically, focusing on the ubiquitous transformer architecture, and aims to answer a simple question: does mu-Transfer yield optimal learning rates in practice? Studying models of up to 10B parameters and training budgets of up to 190B tokens, we find mu-Transfer works as intended for the majority of important cases, yet also identify a few cases where it may not.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.

Large language models deliver strong reasoning and tool-use skills, yet their computational demands make them impractical for edge or cost-sensitive deployments. We present Xmodel-2.5, a 1.3-billion-parameter small language model designed as a drop-in agent core. Training with maximal-update parameterization (μP) allows hyper-parameters tuned on a 20M-parameter proxy to transfer directly to the full model, even under the parameter-tied tie-word-embedding architecture. A 1.4T-token Warmup--Stable--Decay curriculum is used, and we further show that switching from AdamW to Muon during the decay phase improves the 13-task reasoning average by 4.58\,\% while keeping every other hyper-parameter fixed, verifying that early AdamW stability can be paired with late Muon sharpening for better downstream performance. FP8-mixed-precision training balances accuracy and throughput. All checkpoints, recipes, and evaluation code are released under the Apache-2.0 license.https://huggingface.co/XiaoduoAILab/Xmodel-2.5 and https://huggingface.co/XiaoduoAILab/Xmodel-2.5-history (training checkpoints). Training code and evaluation harness: https://github.com/XiaoduoAILab/Xmodel-2.5.

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible outcomes, training-free guidance has gained increasing attention in diffusion models. However, existing methods only handle data in continuous spaces, while many scientific applications involve both continuous and discrete data (referred to as multimodality). Another emerging trend is the growing use of the simple and general flow matching framework in building generative foundation models, where guided generation remains under-explored. To address this, we introduce TFG-Flow, a novel training-free guidance method for multimodal generative flow. TFG-Flow addresses the curse-of-dimensionality while maintaining the property of unbiased sampling in guiding discrete variables. We validate TFG-Flow on four molecular design tasks and show that TFG-Flow has great potential in drug design by generating molecules with desired properties.

Diffusion Transformers have emerged as the foundation for vision generative models, but their scalability is limited by the high cost of hyperparameter (HP) tuning at large scales. Recently, Maximal Update Parametrization (muP) was proposed for vanilla Transformers, which enables stable HP transfer from small to large language models, and dramatically reduces tuning costs. However, it remains unclear whether muP of vanilla Transformers extends to diffusion Transformers, which differ architecturally and objectively. In this work, we generalize standard muP to diffusion Transformers and validate its effectiveness through large-scale experiments. First, we rigorously prove that muP of mainstream diffusion Transformers, including DiT, U-ViT, PixArt-alpha, and MMDiT, aligns with that of the vanilla Transformer, enabling the direct application of existing muP methodologies. Leveraging this result, we systematically demonstrate that DiT-muP enjoys robust HP transferability. Notably, DiT-XL-2-muP with transferred learning rate achieves 2.9 times faster convergence than the original DiT-XL-2. Finally, we validate the effectiveness of muP on text-to-image generation by scaling PixArt-alpha from 0.04B to 0.61B and MMDiT from 0.18B to 18B. In both cases, models under muP outperform their respective baselines while requiring small tuning cost, only 5.5% of one training run for PixArt-alpha and 3% of consumption by human experts for MMDiT-18B. These results establish muP as a principled and efficient framework for scaling diffusion Transformers.

Simulating physical systems governed by Lagrangian dynamics often entails solving partial differential equations (PDEs) over high-resolution spatial domains, leading to significant computational expense. Reduced-order modeling (ROM) mitigates this cost by evolving low-dimensional latent representations of the underlying system. While neural ROMs enable querying solutions from latent states at arbitrary spatial points, their latent states typically represent the global domain and struggle to capture localized, highly dynamic behaviors such as fluids. We propose a sampling-based reduction framework that evolves Lagrangian systems directly in physical space over the particles themselves, reducing the number of active degrees of freedom via data-driven neural PDE operators. To enable querying at arbitrary spatial locations, we introduce a learnable kernel parameterization that uses local spatial information from time-evolved sample particles to infer the underlying solution manifold. Empirically, our approach achieves a 6.6x to 32x reduction in input dimensionality while maintaining high-fidelity evaluations across diverse Lagrangian regimes, including fluid flows, granular media, and elastoplastic dynamics. We refer to this framework as GIOROM (Geometry-Informed Reduced-Order Modeling). All code and data are available at: https://github.com/HrishikeshVish/GIOROM

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

Classifier-free guided diffusion models have recently been shown to be highly effective at high-resolution image generation, and they have been widely used in large-scale diffusion frameworks including DALLE-2, Stable Diffusion and Imagen. However, a downside of classifier-free guided diffusion models is that they are computationally expensive at inference time since they require evaluating two diffusion models, a class-conditional model and an unconditional model, tens to hundreds of times. To deal with this limitation, we propose an approach to distilling classifier-free guided diffusion models into models that are fast to sample from: Given a pre-trained classifier-free guided model, we first learn a single model to match the output of the combined conditional and unconditional models, and then we progressively distill that model to a diffusion model that requires much fewer sampling steps. For standard diffusion models trained on the pixel-space, our approach is able to generate images visually comparable to that of the original model using as few as 4 sampling steps on ImageNet 64x64 and CIFAR-10, achieving FID/IS scores comparable to that of the original model while being up to 256 times faster to sample from. For diffusion models trained on the latent-space (e.g., Stable Diffusion), our approach is able to generate high-fidelity images using as few as 1 to 4 denoising steps, accelerating inference by at least 10-fold compared to existing methods on ImageNet 256x256 and LAION datasets. We further demonstrate the effectiveness of our approach on text-guided image editing and inpainting, where our distilled model is able to generate high-quality results using as few as 2-4 denoising steps.

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from discontinuities in the training target and further pathologies. To overcome this, we develop Dirichlet flow matching on the simplex based on mixtures of Dirichlet distributions as probability paths. In this framework, we derive a connection between the mixtures' scores and the flow's vector field that allows for classifier and classifier-free guidance. Further, we provide distilled Dirichlet flow matching, which enables one-step sequence generation with minimal performance hits, resulting in O(L) speedups compared to autoregressive models. On complex DNA sequence generation tasks, we demonstrate superior performance compared to all baselines in distributional metrics and in achieving desired design targets for generated sequences. Finally, we show that our classifier-free guidance approach improves unconditional generation and is effective for generating DNA that satisfies design targets. Code is available at https://github.com/HannesStark/dirichlet-flow-matching.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.

In this work, we consider and analyze the sample complexity of model-free reinforcement learning with a generative model. Particularly, we analyze mirror descent value iteration (MDVI) by Geist et al. (2019) and Vieillard et al. (2020a), which uses the Kullback-Leibler divergence and entropy regularization in its value and policy updates. Our analysis shows that it is nearly minimax-optimal for finding an varepsilon-optimal policy when varepsilon is sufficiently small. This is the first theoretical result that demonstrates that a simple model-free algorithm without variance-reduction can be nearly minimax-optimal under the considered setting.

We propose a novel zero-shot approach to computing correspondences between 3D shapes. Existing approaches mainly focus on isometric and near-isometric shape pairs (e.g., human vs. human), but less attention has been given to strongly non-isometric and inter-class shape matching (e.g., human vs. cow). To this end, we introduce a fully automatic method that exploits the exceptional reasoning capabilities of recent foundation models in language and vision to tackle difficult shape correspondence problems. Our approach comprises multiple stages. First, we classify the 3D shapes in a zero-shot manner by feeding rendered shape views to a language-vision model (e.g., BLIP2) to generate a list of class proposals per shape. These proposals are unified into a single class per shape by employing the reasoning capabilities of ChatGPT. Second, we attempt to segment the two shapes in a zero-shot manner, but in contrast to the co-segmentation problem, we do not require a mutual set of semantic regions. Instead, we propose to exploit the in-context learning capabilities of ChatGPT to generate two different sets of semantic regions for each shape and a semantic mapping between them. This enables our approach to match strongly non-isometric shapes with significant differences in geometric structure. Finally, we employ the generated semantic mapping to produce coarse correspondences that can further be refined by the functional maps framework to produce dense point-to-point maps. Our approach, despite its simplicity, produces highly plausible results in a zero-shot manner, especially between strongly non-isometric shapes.

We show that low-rank adaptation of large-scale models suffers from a low stable rank that is well below the linear algebraic rank of the subspace, degrading fine-tuning performance. To mitigate the underutilization of the allocated subspace, we propose PoLAR, a parameterization inspired by the polar decomposition that factorizes the low-rank update into two direction matrices constrained to Stiefel manifolds and an unconstrained scale matrix. Our theory shows that PoLAR yields an exponentially faster convergence rate on a canonical low-rank adaptation problem. Pairing the parameterization with Riemannian optimization leads to consistent gains on three different benchmarks testing general language understanding, commonsense reasoning, and mathematical problem solving with base model sizes ranging from 350M to 27B.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of recent related works have focused on the direction of transfer learning for quickly fine-tuning hyperparameters on a dataset. Unfortunately, the community does not have a common large-scale benchmark for comparing HPO algorithms. Instead, the de facto practice consists of empirical protocols on arbitrary small-scale meta-datasets that vary inconsistently across publications, making reproducibility a challenge. To resolve this major bottleneck and enable a fair and fast comparison of black-box HPO methods on a level playing field, we propose HPO-B, a new large-scale benchmark in the form of a collection of meta-datasets. Our benchmark is assembled and preprocessed from the OpenML repository and consists of 176 search spaces (algorithms) evaluated sparsely on 196 datasets with a total of 6.4 million hyperparameter evaluations. For ensuring reproducibility on our benchmark, we detail explicit experimental protocols, splits, and evaluation measures for comparing methods for both non-transfer, as well as, transfer learning HPO.

Reinforcement Learning with Verifiable Rewards (RLVR) has achieved remarkable success in improving autoregressive models, especially in domains requiring correctness like mathematical reasoning and code generation. However, directly applying such paradigms to Diffusion Large Language Models (dLLMs) is fundamentally hindered by the intractability of exact likelihood computation, which forces existing methods to rely on high-variance approximations. To bridge this gap, we propose Likelihood-Free Policy Optimization (LFPO), a native framework that maps the concept of vector field flow matching to the discrete token space. Specifically, LFPO formulates alignment as geometric velocity rectification, which directly optimizes denoising logits via contrastive updates. This design effectively bypasses the errors inherent in likelihood approximation, yielding the precise gradient estimation. Furthermore, LFPO enforce consistency by predicting final solutions from intermediate steps, effectively straightening the probability flow to enable high-quality generation with significantly fewer iterations. Extensive experiments demonstrate that LFPO not only outperforms state-of-the-art baselines on code and reasoning benchmarks but also accelerates inference by approximately 20% through reduced diffusion steps.

We present FreeMorph, the first tuning-free method for image morphing that accommodates inputs with different semantics or layouts. Unlike existing methods that rely on finetuning pre-trained diffusion models and are limited by time constraints and semantic/layout discrepancies, FreeMorph delivers high-fidelity image morphing without requiring per-instance training. Despite their efficiency and potential, tuning-free methods face challenges in maintaining high-quality results due to the non-linear nature of the multi-step denoising process and biases inherited from the pre-trained diffusion model. In this paper, we introduce FreeMorph to address these challenges by integrating two key innovations. 1) We first propose a guidance-aware spherical interpolation design that incorporates explicit guidance from the input images by modifying the self-attention modules, thereby addressing identity loss and ensuring directional transitions throughout the generated sequence. 2) We further introduce a step-oriented variation trend that blends self-attention modules derived from each input image to achieve controlled and consistent transitions that respect both inputs. Our extensive evaluations demonstrate that FreeMorph outperforms existing methods, being 10x ~ 50x faster and establishing a new state-of-the-art for image morphing.

Recent advances in reinforcement learning for large language models have converged on increasing complexity: multi-stage training pipelines, dynamic hyperparameter schedules, and curriculum learning strategies. This raises a fundamental question: Is this complexity necessary? We present JustRL, a minimal approach using single-stage training with fixed hyperparameters that achieves state-of-the-art performance on two 1.5B reasoning models (54.9\% and 64.3\% average accuracy across nine mathematical benchmarks) while using 2times less compute than sophisticated approaches. The same hyperparameters transfer across both models without tuning, and training exhibits smooth, monotonic improvement over 4,000+ steps without the collapses or plateaus that typically motivate interventions. Critically, ablations reveal that adding ``standard tricks'' like explicit length penalties and robust verifiers may degrade performance by collapsing exploration. These results suggest that the field may be adding complexity to solve problems that disappear with a stable, scaled-up baseline. We release our models and code to establish a simple, validated baseline for the community.

Diffusion models have achieved impressive results in generative tasks like text-to-image (T2I) and text-to-video (T2V) synthesis. However, achieving accurate text alignment in T2V generation remains challenging due to the complex temporal dependency across frames. Existing reinforcement learning (RL)-based approaches to enhance text alignment often require differentiable reward functions or are constrained to limited prompts, hindering their scalability and applicability. In this paper, we propose Free^2Guide, a novel gradient-free framework for aligning generated videos with text prompts without requiring additional model training. Leveraging principles from path integral control, Free^2Guide approximates guidance for diffusion models using non-differentiable reward functions, thereby enabling the integration of powerful black-box Large Vision-Language Models (LVLMs) as reward model. Additionally, our framework supports the flexible ensembling of multiple reward models, including large-scale image-based models, to synergistically enhance alignment without incurring substantial computational overhead. We demonstrate that Free^2Guide significantly improves text alignment across various dimensions and enhances the overall quality of generated videos.

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at https://github.com/AlexMaOLS/EluCD/tree/main.

Reward-free exploration is a reinforcement learning setting studied by Jin et al. (2020), who address it by running several algorithms with regret guarantees in parallel. In our work, we instead give a more natural adaptive approach for reward-free exploration which directly reduces upper bounds on the maximum MDP estimation error. We show that, interestingly, our reward-free UCRL algorithm can be seen as a variant of an algorithm of Fiechter from 1994, originally proposed for a different objective that we call best-policy identification. We prove that RF-UCRL needs of order ({SAH^4}/{varepsilon^2})(log(1/δ) + S) episodes to output, with probability 1-δ, an varepsilon-approximation of the optimal policy for any reward function. This bound improves over existing sample-complexity bounds in both the small varepsilon and the small δ regimes. We further investigate the relative complexities of reward-free exploration and best-policy identification.

Hyperparameter (HP) tuning in deep learning is an expensive process, prohibitively so for neural networks (NNs) with billions of parameters. We show that, in the recently discovered Maximal Update Parametrization (muP), many optimal HPs remain stable even as model size changes. This leads to a new HP tuning paradigm we call muTransfer: parametrize the target model in muP, tune the HP indirectly on a smaller model, and zero-shot transfer them to the full-sized model, i.e., without directly tuning the latter at all. We verify muTransfer on Transformer and ResNet. For example, 1) by transferring pretraining HPs from a model of 13M parameters, we outperform published numbers of BERT-large (350M parameters), with a total tuning cost equivalent to pretraining BERT-large once; 2) by transferring from 40M parameters, we outperform published numbers of the 6.7B GPT-3 model, with tuning cost only 7% of total pretraining cost. A Pytorch implementation of our technique can be found at github.com/microsoft/mup and installable via `pip install mup`.

Reinforcement learning is able to solve complex sequential decision-making tasks but is currently limited by sample efficiency and required computation. To improve sample efficiency, recent work focuses on model-based RL which interleaves model learning with planning. Recent methods further utilize policy learning, value estimation, and, self-supervised learning as auxiliary objectives. In this paper we show that, surprisingly, a simple representation learning approach relying only on a latent dynamics model trained by latent temporal consistency is sufficient for high-performance RL. This applies when using pure planning with a dynamics model conditioned on the representation, but, also when utilizing the representation as policy and value function features in model-free RL. In experiments, our approach learns an accurate dynamics model to solve challenging high-dimensional locomotion tasks with online planners while being 4.1 times faster to train compared to ensemble-based methods. With model-free RL without planning, especially on high-dimensional tasks, such as the DeepMind Control Suite Humanoid and Dog tasks, our approach outperforms model-free methods by a large margin and matches model-based methods' sample efficiency while training 2.4 times faster.

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.

Diffusion models have achieved remarkable success in text-to-image synthesis, largely attributed to the use of classifier-free guidance (CFG), which enables high-quality, condition-aligned image generation. CFG combines the conditional score (e.g., text-conditioned) with the unconditional score to control the output. However, the unconditional score is in charge of estimating the transition between manifolds of adjacent timesteps from x_t to x_{t-1}, which may inadvertently interfere with the trajectory toward the specific condition. In this work, we introduce a novel approach that leverages a geometric perspective on the unconditional score to enhance CFG performance when conditional scores are available. Specifically, we propose a method that filters the singular vectors of both conditional and unconditional scores using singular value decomposition. This filtering process aligns the unconditional score with the conditional score, thereby refining the sampling trajectory to stay closer to the manifold. Our approach improves image quality with negligible additional computation. We provide deeper insights into the score function behavior in diffusion models and present a practical technique for achieving more accurate and contextually coherent image synthesis.

Classifier-free guidance has become a staple for conditional generation with denoising diffusion models. However, a comprehensive understanding of classifier-free guidance is still missing. In this work, we carry out an empirical study to provide a fresh perspective on classifier-free guidance. Concretely, instead of solely focusing on classifier-free guidance, we trace back to the root, i.e., classifier guidance, pinpoint the key assumption for the derivation, and conduct a systematic study to understand the role of the classifier. We find that both classifier guidance and classifier-free guidance achieve conditional generation by pushing the denoising diffusion trajectories away from decision boundaries, i.e., areas where conditional information is usually entangled and is hard to learn. Based on this classifier-centric understanding, we propose a generic postprocessing step built upon flow-matching to shrink the gap between the learned distribution for a pre-trained denoising diffusion model and the real data distribution, majorly around the decision boundaries. Experiments on various datasets verify the effectiveness of the proposed approach.

Classifier-Free Guidance (CFG) significantly enhances controllability in generative models by interpolating conditional and unconditional predictions. However, standard CFG often employs a static unconditional input, which can be suboptimal for iterative generation processes where model uncertainty varies dynamically. We introduce Adaptive Classifier-Free Guidance (A-CFG), a novel method that tailors the unconditional input by leveraging the model's instantaneous predictive confidence. At each step of an iterative (masked) diffusion language model, A-CFG identifies tokens in the currently generated sequence for which the model exhibits low confidence. These tokens are temporarily re-masked to create a dynamic, localized unconditional input. This focuses CFG's corrective influence precisely on areas of ambiguity, leading to more effective guidance. We integrate A-CFG into a state-of-the-art masked diffusion language model and demonstrate its efficacy. Experiments on diverse language generation benchmarks show that A-CFG yields substantial improvements over standard CFG, achieving, for instance, a 3.9 point gain on GPQA. Our work highlights the benefit of dynamically adapting guidance mechanisms to model uncertainty in iterative generation.

We demonstrate that Muon, the simplest instantiation of a second-order optimizer, explicitly expands the Pareto frontier over AdamW on the compute-time tradeoff. We find that Muon is more effective than AdamW in retaining data efficiency at large batch sizes, far beyond the so-called critical batch size, while remaining computationally efficient, thus enabling more economical training. We study the combination of Muon and the maximal update parameterization (muP) for efficient hyperparameter transfer and present a simple telescoping algorithm that accounts for all sources of error in muP while introducing only a modest overhead in resources. We validate our findings through extensive experiments with model sizes up to four billion parameters and ablations on the data distribution and architecture.

Reinforcement learning (RL) promises a framework for near-universal problem-solving. In practice however, RL algorithms are often tailored to specific benchmarks, relying on carefully tuned hyperparameters and algorithmic choices. Recently, powerful model-based RL methods have shown impressive general results across benchmarks but come at the cost of increased complexity and slow run times, limiting their broader applicability. In this paper, we attempt to find a unifying model-free deep RL algorithm that can address a diverse class of domains and problem settings. To achieve this, we leverage model-based representations that approximately linearize the value function, taking advantage of the denser task objectives used by model-based RL while avoiding the costs associated with planning or simulated trajectories. We evaluate our algorithm, MR.Q, on a variety of common RL benchmarks with a single set of hyperparameters and show a competitive performance against domain-specific and general baselines, providing a concrete step towards building general-purpose model-free deep RL algorithms.

Learned optimizers (LOs) can significantly reduce the wall-clock training time of neural networks, substantially reducing training costs. However, they often suffer from poor meta-generalization, especially when training networks larger than those seen during meta-training. To address this, we use the recently proposed Maximal Update Parametrization (muP), which allows zero-shot generalization of optimizer hyperparameters from smaller to larger models. We extend muP theory to learned optimizers, treating the meta-training problem as finding the learned optimizer under muP. Our evaluation shows that LOs meta-trained with muP substantially improve meta-generalization as compared to LOs trained under standard parametrization (SP). Notably, when applied to large-width models, our best muLO, trained for 103 GPU-hours, matches or exceeds the performance of VeLO, the largest publicly available learned optimizer, meta-trained with 4000 TPU-months of compute. Moreover, muLOs demonstrate better generalization than their SP counterparts to deeper networks and to much longer training horizons (25 times longer) than those seen during meta-training.

Model-free control strategies such as reinforcement learning have shown the ability to learn control strategies without requiring an accurate model or simulator of the world. While this is appealing due to the lack of modeling requirements, such methods can be sample inefficient, making them impractical in many real-world domains. On the other hand, model-based control techniques leveraging accurate simulators can circumvent these challenges and use a large amount of cheap simulation data to learn controllers that can effectively transfer to the real world. The challenge with such model-based techniques is the requirement for an extremely accurate simulation, requiring both the specification of appropriate simulation assets and physical parameters. This requires considerable human effort to design for every environment being considered. In this work, we propose a learning system that can leverage a small amount of real-world data to autonomously refine a simulation model and then plan an accurate control strategy that can be deployed in the real world. Our approach critically relies on utilizing an initial (possibly inaccurate) simulator to design effective exploration policies that, when deployed in the real world, collect high-quality data. We demonstrate the efficacy of this paradigm in identifying articulation, mass, and other physical parameters in several challenging robotic manipulation tasks, and illustrate that only a small amount of real-world data can allow for effective sim-to-real transfer. Project website at https://weirdlabuw.github.io/asid

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

Training-free metrics (a.k.a. zero-cost proxies) are widely used to avoid resource-intensive neural network training, especially in Neural Architecture Search (NAS). Recent studies show that existing training-free metrics have several limitations, such as limited correlation and poor generalisation across different search spaces and tasks. Hence, we propose Sample-Wise Activation Patterns and its derivative, SWAP-Score, a novel high-performance training-free metric. It measures the expressivity of networks over a batch of input samples. The SWAP-Score is strongly correlated with ground-truth performance across various search spaces and tasks, outperforming 15 existing training-free metrics on NAS-Bench-101/201/301 and TransNAS-Bench-101. The SWAP-Score can be further enhanced by regularisation, which leads to even higher correlations in cell-based search space and enables model size control during the search. For example, Spearman's rank correlation coefficient between regularised SWAP-Score and CIFAR-100 validation accuracies on NAS-Bench-201 networks is 0.90, significantly higher than 0.80 from the second-best metric, NWOT. When integrated with an evolutionary algorithm for NAS, our SWAP-NAS achieves competitive performance on CIFAR-10 and ImageNet in approximately 6 minutes and 9 minutes of GPU time respectively.

A common belief in model-free reinforcement learning is that methods based on random search in the parameter space of policies exhibit significantly worse sample complexity than those that explore the space of actions. We dispel such beliefs by introducing a random search method for training static, linear policies for continuous control problems, matching state-of-the-art sample efficiency on the benchmark MuJoCo locomotion tasks. Our method also finds a nearly optimal controller for a challenging instance of the Linear Quadratic Regulator, a classical problem in control theory, when the dynamics are not known. Computationally, our random search algorithm is at least 15 times more efficient than the fastest competing model-free methods on these benchmarks. We take advantage of this computational efficiency to evaluate the performance of our method over hundreds of random seeds and many different hyperparameter configurations for each benchmark task. Our simulations highlight a high variability in performance in these benchmark tasks, suggesting that commonly used estimations of sample efficiency do not adequately evaluate the performance of RL algorithms.

When the environment is partially observable (PO), a deep reinforcement learning (RL) agent must learn a suitable temporal representation of the entire history in addition to a strategy to control. This problem is not novel, and there have been model-free and model-based algorithms proposed for this problem. However, inspired by recent success in model-free image-based RL, we noticed the absence of a model-free baseline for history-based RL that (1) uses full history and (2) incorporates recent advances in off-policy continuous control. Therefore, we implement recurrent versions of DDPG, TD3, and SAC (RDPG, RTD3, and RSAC) in this work, evaluate them on short-term and long-term PO domains, and investigate key design choices. Our experiments show that RDPG and RTD3 can surprisingly fail on some domains and that RSAC is the most reliable, reaching near-optimal performance on nearly all domains. However, one task that requires systematic exploration still proved to be difficult, even for RSAC. These results show that model-free RL can learn good temporal representation using only reward signals; the primary difficulty seems to be computational cost and exploration. To facilitate future research, we have made our PyTorch implementation publicly available at https://github.com/zhihanyang2022/off-policy-continuous-control.

Training neural networks requires increasing amounts of memory. Parameter sharing can reduce memory and communication costs, but existing methods assume networks have many identical layers and utilize hand-crafted sharing strategies that fail to generalize. We introduce Neural Parameter Allocation Search (NPAS), a novel task where the goal is to train a neural network given an arbitrary, fixed parameter budget. NPAS covers both low-budget regimes, which produce compact networks, as well as a novel high-budget regime, where additional capacity can be added to boost performance without increasing inference FLOPs. To address NPAS, we introduce Shapeshifter Networks (SSNs), which automatically learn where and how to share parameters in a network to support any parameter budget without requiring any changes to the architecture or loss function. NPAS and SSNs provide a complete framework for addressing generalized parameter sharing, and can also be combined with prior work for additional performance gains. We demonstrate the effectiveness of our approach using nine network architectures across four diverse tasks, including ImageNet classification and transformers.

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties for a class of structured symmetric positive-definite matrices with the affine-invariant metric. We do so by proposing a generalized version of the Riemannian normal coordinates that dynamically orthonormalizes the metric and locally converts the problem into an unconstrained problem in the Euclidean space. We use our approach to simplify existing approaches for structured covariances and develop matrix-inverse-free 2^nd-order optimizers for deep learning in low precision settings. Code: https://github.com/yorkerlin/StructuredNGD-DL

Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, and expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to over 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.

A recent line of works showed regret bounds in reinforcement learning (RL) can be (nearly) independent of planning horizon, a.k.a.~the horizon-free bounds. However, these regret bounds only apply to settings where a polynomial dependency on the size of transition model is allowed, such as tabular Markov Decision Process (MDP) and linear mixture MDP. We give the first horizon-free bound for the popular linear MDP setting where the size of the transition model can be exponentially large or even uncountable. In contrast to prior works which explicitly estimate the transition model and compute the inhomogeneous value functions at different time steps, we directly estimate the value functions and confidence sets. We obtain the horizon-free bound by: (1) maintaining multiple weighted least square estimators for the value functions; and (2) a structural lemma which shows the maximal total variation of the inhomogeneous value functions is bounded by a polynomial factor of the feature dimension.

During typical gradient-based training of deep neural networks, all of the model's parameters are updated at each iteration. Recent work has shown that it is possible to update only a small subset of the model's parameters during training, which can alleviate storage and communication requirements. In this paper, we show that it is possible to induce a fixed sparse mask on the model's parameters that selects a subset to update over many iterations. Our method constructs the mask out of the k parameters with the largest Fisher information as a simple approximation as to which parameters are most important for the task at hand. In experiments on parameter-efficient transfer learning and distributed training, we show that our approach matches or exceeds the performance of other methods for training with sparse updates while being more efficient in terms of memory usage and communication costs. We release our code publicly to promote further applications of our approach.

In this paper, we study a class of composite optimization problems whose objective function is given by the summation of a general smooth and nonsmooth component, together with a relatively simple nonsmooth term. While restart strategies are commonly employed in first-order methods to achieve optimal convergence under strong convexity, they introduce structural complexity and practical overhead, making algorithm design and nesting cumbersome. To address this, we propose a restart-free stochastic gradient sliding algorithm that eliminates the need for explicit restart phases when the simple nonsmooth component is strongly convex. Through a novel and carefully designed parameter selection strategy, we prove that the proposed algorithm achieves an ε-solution with only O(log(1ε)) gradient evaluations for the smooth component and O(1ε) stochastic subgradient evaluations for the nonsmooth component, matching the optimal complexity of existing multi-phase (restart-based) methods. Moreover, for the case where the nonsmooth component is structured, allowing the overall problem to be reformulated as a bilinear saddle-point problem, we develop a restart-free accelerated stochastic gradient sliding algorithm. We show that the resulting method requires only O(log(1ε)) gradient computations for the smooth component while preserving an overall iteration complexity of O(1{sqrtε}) for solving the corresponding saddle-point problems. Our work thus provides simpler, restart-f

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

Neural architecture search (NAS) has become a key component of AutoML and a standard tool to automate the design of deep neural networks. Recently, training-free NAS as an emerging paradigm has successfully reduced the search costs of standard training-based NAS by estimating the true architecture performance with only training-free metrics. Nevertheless, the estimation ability of these metrics typically varies across different tasks, making it challenging to achieve robust and consistently good search performance on diverse tasks with only a single training-free metric. Meanwhile, the estimation gap between training-free metrics and the true architecture performances limits training-free NAS to achieve superior performance. To address these challenges, we propose the robustifying and boosting training-free NAS (RoBoT) algorithm which (a) employs the optimized combination of existing training-free metrics explored from Bayesian optimization to develop a robust and consistently better-performing metric on diverse tasks, and (b) applies greedy search, i.e., the exploitation, on the newly developed metric to bridge the aforementioned gap and consequently to boost the search performance of standard training-free NAS further. Remarkably, the expected performance of our RoBoT can be theoretically guaranteed, which improves over the existing training-free NAS under mild conditions with additional interesting insights. Our extensive experiments on various NAS benchmark tasks yield substantial empirical evidence to support our theoretical results.

Cycle consistency has long been exploited as a powerful prior for jointly optimizing maps within a collection of shapes. In this paper, we investigate its utility in the approaches of Deep Functional Maps, which are considered state-of-the-art in non-rigid shape matching. We first justify that under certain conditions, the learned maps, when represented in the spectral domain, are already cycle consistent. Furthermore, we identify the discrepancy that spectrally consistent maps are not necessarily spatially, or point-wise, consistent. In light of this, we present a novel design of unsupervised Deep Functional Maps, which effectively enforces the harmony of learned maps under the spectral and the point-wise representation. By taking advantage of cycle consistency, our framework produces state-of-the-art results in mapping shapes even under significant distortions. Beyond that, by independently estimating maps in both spectral and spatial domains, our method naturally alleviates over-fitting in network training, yielding superior generalization performance and accuracy within an array of challenging tests for both near-isometric and non-isometric datasets. Codes are available at https://github.com/rqhuang88/Spatiallyand-Spectrally-Consistent-Deep-Functional-Maps.

In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.

Visual diffusion models achieve remarkable progress, yet they are typically trained at limited resolutions due to the lack of high-resolution data and constrained computation resources, hampering their ability to generate high-fidelity images or videos at higher resolutions. Recent efforts have explored tuning-free strategies to exhibit the untapped potential higher-resolution visual generation of pre-trained models. However, these methods are still prone to producing low-quality visual content with repetitive patterns. The key obstacle lies in the inevitable increase in high-frequency information when the model generates visual content exceeding its training resolution, leading to undesirable repetitive patterns deriving from the accumulated errors. To tackle this challenge, we propose FreeScale, a tuning-free inference paradigm to enable higher-resolution visual generation via scale fusion. Specifically, FreeScale processes information from different receptive scales and then fuses it by extracting desired frequency components. Extensive experiments validate the superiority of our paradigm in extending the capabilities of higher-resolution visual generation for both image and video models. Notably, compared with the previous best-performing method, FreeScale unlocks the generation of 8k-resolution images for the first time.

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for the ability of these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, and neural network theory, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new algorithm, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep neural network training, and provide preliminary numerical evidence for its superior performance.

Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss, and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.

LiDAR mapping is important yet challenging in self-driving and mobile robotics. To tackle such a global point cloud registration problem, DeepMapping converts the complex map estimation into a self-supervised training of simple deep networks. Despite its broad convergence range on small datasets, DeepMapping still cannot produce satisfactory results on large-scale datasets with thousands of frames. This is due to the lack of loop closures and exact cross-frame point correspondences, and the slow convergence of its global localization network. We propose DeepMapping2 by adding two novel techniques to address these issues: (1) organization of training batch based on map topology from loop closing, and (2) self-supervised local-to-global point consistency loss leveraging pairwise registration. Our experiments and ablation studies on public datasets (KITTI, NCLT, and Nebula) demonstrate the effectiveness of our method.

Subject-driven image generation aims to synthesize novel scenes that faithfully preserve subject identity from reference images while adhering to textual guidance, yet existing methods struggle with a critical trade-off between fidelity and efficiency. Tuning-based approaches rely on time-consuming and resource-intensive subject-specific optimization, while zero-shot methods fail to maintain adequate subject consistency. In this work, we propose FreeGraftor, a training-free framework that addresses these limitations through cross-image feature grafting. Specifically, FreeGraftor employs semantic matching and position-constrained attention fusion to transfer visual details from reference subjects to the generated image. Additionally, our framework incorporates a novel noise initialization strategy to preserve geometry priors of reference subjects for robust feature matching. Extensive qualitative and quantitative experiments demonstrate that our method enables precise subject identity transfer while maintaining text-aligned scene synthesis. Without requiring model fine-tuning or additional training, FreeGraftor significantly outperforms existing zero-shot and training-free approaches in both subject fidelity and text alignment. Furthermore, our framework can seamlessly extend to multi-subject generation, making it practical for real-world deployment. Our code is available at https://github.com/Nihukat/FreeGraftor.

Machine learning approaches for solving partial differential equations require learning mappings between function spaces. While convolutional or graph neural networks are constrained to discretized functions, neural operators present a promising milestone toward mapping functions directly. Despite impressive results they still face challenges with respect to the domain geometry and typically rely on some form of discretization. In order to alleviate such limitations, we present CORAL, a new method that leverages coordinate-based networks for solving PDEs on general geometries. CORAL is designed to remove constraints on the input mesh, making it applicable to any spatial sampling and geometry. Its ability extends to diverse problem domains, including PDE solving, spatio-temporal forecasting, and inverse problems like geometric design. CORAL demonstrates robust performance across multiple resolutions and performs well in both convex and non-convex domains, surpassing or performing on par with state-of-the-art models.

Scaling laws for large language models depend critically on the optimizer and parameterization. Existing hyperparameter transfer laws are mainly developed for first-order optimizers, and they do not structurally prevent training instability at scale. Recent hypersphere optimization methods constrain weight matrices to a fixed-norm hypersphere, offering a promising alternative for more stable scaling. We introduce HyperP (Hypersphere Parameterization), the first framework for transferring optimal learning rates across model width, depth, training tokens, and Mixture-of-Experts (MoE) granularity under the Frobenius-sphere constraint with the Muon optimizer. We prove that weight decay is a first-order no-op on the Frobenius sphere, show that Depth-μP remains necessary, and find that the optimal learning rate follows the same data-scaling power law with the "magic exponent" 0.32 previously observed for AdamW. A single base learning rate tuned at the smallest scale transfers across all compute budgets under HyperP, yielding 1.58times compute efficiency over a strong Muon baseline at 6times10^{21} FLOPs. Moreover, HyperP delivers transferable stability: all monitored instability indicators, including Z-values, output RMS, and activation outliers, remain bounded and non-increasing under training FLOPs scaling. We also propose SqrtGate, an MoE gating mechanism derived from the hypersphere constraint that preserves output RMS across MoE granularities for improved granularity scaling, and show that hypersphere optimization enables substantially larger auxiliary load-balancing weights, yielding both strong performance and good expert balance. We release our training codebase at https://github.com/microsoft/ArchScale.

A well-designed vectorized representation is crucial for the learning systems natively based on 3D Gaussian Splatting. While 3DGS enables efficient and explicit 3D reconstruction, its parameter-based representation remains hard to learn as features, especially for neural-network-based models. Directly feeding raw Gaussian parameters into learning frameworks fails to address the non-unique and heterogeneous nature of the Gaussian parameterization, yielding highly data-dependent models. This challenge motivates us to explore a more principled approach to represent 3D Gaussian Splatting in neural networks that preserves the underlying color and geometric structure while enforcing unique mapping and channel homogeneity. In this paper, we propose an embedding representation of 3DGS based on continuous submanifold fields that encapsulate the intrinsic information of Gaussian primitives, thereby benefiting the learning of 3DGS.

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.

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension d, if the Hessian is given as a sum of m rank-one matrices, using O(dm^2) precomputation, O(dm) cost for computing the IHVP, and query cost O(m) for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost O(dm + m^2) for computing the IHVP and O(dm + m^3) for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

We study the problem of learning in the stochastic shortest path (SSP) setting, where an agent seeks to minimize the expected cost accumulated before reaching a goal state. We design a novel model-based algorithm EB-SSP that carefully skews the empirical transitions and perturbs the empirical costs with an exploration bonus to induce an optimistic SSP problem whose associated value iteration scheme is guaranteed to converge. We prove that EB-SSP achieves the minimax regret rate O(B_{star} S A K), where K is the number of episodes, S is the number of states, A is the number of actions, and B_{star} bounds the expected cumulative cost of the optimal policy from any state, thus closing the gap with the lower bound. Interestingly, EB-SSP obtains this result while being parameter-free, i.e., it does not require any prior knowledge of B_{star}, nor of T_{star}, which bounds the expected time-to-goal of the optimal policy from any state. Furthermore, we illustrate various cases (e.g., positive costs, or general costs when an order-accurate estimate of T_{star} is available) where the regret only contains a logarithmic dependence on T_{star}, thus yielding the first (nearly) horizon-free regret bound beyond the finite-horizon MDP setting.

The success of image generative models has enabled us to build methods that can edit images based on text or other user input. However, these methods are bespoke, imprecise, require additional information, or are limited to only 2D image edits. We present GeoDiffuser, a zero-shot optimization-based method that unifies common 2D and 3D image-based object editing capabilities into a single method. Our key insight is to view image editing operations as geometric transformations. We show that these transformations can be directly incorporated into the attention layers in diffusion models to implicitly perform editing operations. Our training-free optimization method uses an objective function that seeks to preserve object style but generate plausible images, for instance with accurate lighting and shadows. It also inpaints disoccluded parts of the image where the object was originally located. Given a natural image and user input, we segment the foreground object using SAM and estimate a corresponding transform which is used by our optimization approach for editing. GeoDiffuser can perform common 2D and 3D edits like object translation, 3D rotation, and removal. We present quantitative results, including a perceptual study, that shows how our approach is better than existing methods. Visit https://ivl.cs.brown.edu/research/geodiffuser.html for more information.

Model-free reinforcement learning algorithms can compute policy gradients given sampled environment transitions, but require large amounts of data. In contrast, model-based methods can use the learned model to generate new data, but model errors and bias can render learning unstable or suboptimal. In this paper, we present a novel method that combines real-world data and a learned model in order to get the best of both worlds. The core idea is to exploit the real-world data for on-policy predictions and use the learned model only to generalize to different actions. Specifically, we use the data as time-dependent on-policy correction terms on top of a learned model, to retain the ability to generate data without accumulating errors over long prediction horizons. We motivate this method theoretically and show that it counteracts an error term for model-based policy improvement. Experiments on MuJoCo- and PyBullet-benchmarks show that our method can drastically improve existing model-based approaches without introducing additional tuning parameters.

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of O(T) where T is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper introduces a novel approach that bridges this gap by combining the interpretability of linear methods with the expressiveness of non-linear transformations. The proposed algorithm constructs a non-linear mapping between high-dimensional and low-dimensional spaces through a combination of linear transformations, each weighted by Gaussian functions. This architecture enables complex non-linear transformations while preserving the interpretability advantages of linear methods, as each transformation can be analyzed independently. The resulting model provides both powerful dimensionality reduction and transparent insights into the transformed space. Techniques for interpreting the learned transformations are presented, including methods for identifying suppressed dimensions and how space is expanded and contracted. These tools enable practitioners to understand how the algorithm preserves and modifies geometric relationships during dimensionality reduction. To ensure the practical utility of this algorithm, the creation of user-friendly software packages is emphasized, facilitating its adoption in both academia and industry.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

Text-guided diffusion models have become a popular tool in image synthesis, known for producing high-quality and diverse images. However, their application to editing real images often encounters hurdles primarily due to the text condition deteriorating the reconstruction quality and subsequently affecting editing fidelity. Null-text Inversion (NTI) has made strides in this area, but it fails to capture spatial context and requires computationally intensive per-timestep optimization. Addressing these challenges, we present Noise Map Guidance (NMG), an inversion method rich in a spatial context, tailored for real-image editing. Significantly, NMG achieves this without necessitating optimization, yet preserves the editing quality. Our empirical investigations highlight NMG's adaptability across various editing techniques and its robustness to variants of DDIM inversions.

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.

Camera redirection aims to replay a dynamic scene from a single monocular video under a user-specified camera trajectory. However, large-angle redirection is inherently ill-posed: a monocular video captures only a narrow spatio-temporal view of a dynamic 3D scene, providing highly partial observations of the underlying 4D world. The key challenge is therefore to recover a complete and coherent representation from this limited input, with consistent geometry and motion. While recent diffusion-based methods achieve impressive results, they often break down under large-angle viewpoint changes far from the original trajectory, where missing visual grounding leads to severe geometric ambiguity and temporal inconsistency. To address this, we present FreeOrbit4D, an effective training-free framework that tackles this geometric ambiguity by recovering a geometry-complete 4D proxy as structural grounding for video generation. We obtain this proxy by decoupling foreground and background reconstructions: we unproject the monocular video into a static background and geometry-incomplete foreground point clouds in a unified global space, then leverage an object-centric multi-view diffusion model to synthesize multi-view images and reconstruct geometry-complete foreground point clouds in canonical object space. By aligning the canonical foreground point cloud to the global scene space via dense pixel-synchronized 3D--3D correspondences and projecting the geometry-complete 4D proxy onto target camera viewpoints, we provide geometric scaffolds that guide a conditional video diffusion model. Extensive experiments show that FreeOrbit4D produces more faithful redirected videos under challenging large-angle trajectories, and our geometry-complete 4D proxy further opens a potential avenue for practical applications such as edit propagation and 4D data generation. Project page and code will be released soon.

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

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