Daily Papers

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

Recent work has shown that forward- and reverse- mode automatic differentiation (AD) over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of AD when the parameter space of a neural network consists solely of machine-representable numbers. In particular, we analyze two sets of parameters on which AD can be incorrect: the incorrect set on which the network is differentiable but AD does not compute its derivative, and the non-differentiable set on which the network is non-differentiable. For a neural network with bias parameters, we first prove that the incorrect set is always empty. We then prove a tight bound on the size of the non-differentiable set, which is linear in the number of non-differentiabilities in activation functions, and give a simple necessary and sufficient condition for a parameter to be in this set. We further prove that AD always computes a Clarke subderivative even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

Automatic differentiation (AD) in reverse mode (RAD) is a central component of deep learning and other uses of large-scale optimization. Commonly used RAD algorithms such as backpropagation, however, are complex and stateful, hindering deep understanding, improvement, and parallel execution. This paper develops a simple, generalized AD algorithm calculated from a simple, natural specification. The general algorithm is then specialized by varying the representation of derivatives. In particular, applying well-known constructions to a naive representation yields two RAD algorithms that are far simpler than previously known. In contrast to commonly used RAD implementations, the algorithms defined here involve no graphs, tapes, variables, partial derivatives, or mutation. They are inherently parallel-friendly, correct by construction, and usable directly from an existing programming language with no need for new data types or programming style, thanks to use of an AD-agnostic compiler plugin.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

We introduce a general method for improving the convergence rate of gradient-based optimizers that is easy to implement and works well in practice. We demonstrate the effectiveness of the method in a range of optimization problems by applying it to stochastic gradient descent, stochastic gradient descent with Nesterov momentum, and Adam, showing that it significantly reduces the need for the manual tuning of the initial learning rate for these commonly used algorithms. Our method works by dynamically updating the learning rate during optimization using the gradient with respect to the learning rate of the update rule itself. Computing this "hypergradient" needs little additional computation, requires only one extra copy of the original gradient to be stored in memory, and relies upon nothing more than what is provided by reverse-mode automatic differentiation.

We present MiniTensor, an open source tensor operations library that focuses on minimalism, correctness, and performance. MiniTensor exposes a familiar PyTorch-like Python API while it executes performance critical code in a Rust engine. The core supports dense n dimensional tensors, broadcasting, reductions, matrix multiplication, reverse mode automatic differentiation, a compact set of neural network layers, and standard optimizers. In this paper, we describe the design of MiniTensor's architecture, including its efficient memory management, dynamic computation graph for gradients, and integration with Python via PyO3. We also compare the install footprint with PyTorch and TensorFlow to demonstrate that MiniTensor achieves a package size of only a few megabytes, several orders of magnitude smaller than mainstream frameworks, while preserving the essentials needed for research and development on CPUs. The repository can be found at https://github.com/neuralsorcerer/minitensor

We present a high-performance system for automatic differentiation (AD) of functions defined on triangle meshes that exploits the inherent sparsity and locality of mesh-based energy functions to achieve fast gradient and Hessian computation on the GPU. Our system is designed around per-element forward-mode differentiation, enabling all local computations to remain in GPU registers or shared memory. Unlike reverse-mode approaches that construct and traverse global computation graphs, our method performs differentiation on the fly, minimizing memory traffic and avoiding global synchronization. Our programming model allows users to define local energy terms while the system handles parallel evaluation, derivative computation, and sparse Hessian assembly. We benchmark our system on a range of applications--cloth simulation, surface parameterization, mesh smoothing, and spherical manifold optimization. We achieve a geometric mean speedup of 6.2x over optimized PyTorch implementations for second-order derivatives, and 2.76x speedup for Hessian-vector products. For first-order derivatives, our system is 6.38x, 2.89x, and 1.98x faster than Warp, JAX, and Dr.JIT, respectively, while remaining on par with hand-written derivatives.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

This course, intended for undergraduates familiar with elementary calculus and linear algebra, introduces the extension of differential calculus to functions on more general vector spaces, such as functions that take as input a matrix and return a matrix inverse or factorization, derivatives of ODE solutions, and even stochastic derivatives of random functions. It emphasizes practical computational applications, such as large-scale optimization and machine learning, where derivatives must be re-imagined in order to be propagated through complicated calculations. The class also discusses efficiency concerns leading to "adjoint" or "reverse-mode" differentiation (a.k.a. "backpropagation"), and gives a gentle introduction to modern automatic differentiation (AD) techniques.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

We present semantic correctness proofs of Automatic Differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Finally, we sketch how the analysis extends to other AD methods by considering a continuation-based method.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Throughout, we show how the analysis extends to AD methods for computing higher order derivatives using a Taylor approximation.

We introduce a general formulation for automatic differentiation through direct form filters, yielding a closed-form backpropagation that includes initial condition gradients. The result is a single expression that can represent both the filter and its gradients computation while supporting parallelism. C++/CUDA implementations in PyTorch achieve at least 1000x speedup over naive Python implementations and consistently run fastest on the GPU. For the low-order filters commonly used in practice, exact time-domain filtering with analytical gradients outperforms the frequency-domain method in terms of speed. The source code is available at https://github.com/yoyolicoris/philtorch.

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

We propose the Automatic-differentiated Physics-Informed Echo State Network (API-ESN). The network is constrained by the physical equations through the reservoir's exact time-derivative, which is computed by automatic differentiation. As compared to the original Physics-Informed Echo State Network, the accuracy of the time-derivative is increased by up to seven orders of magnitude. This increased accuracy is key in chaotic dynamical systems, where errors grows exponentially in time. The network is showcased in the reconstruction of unmeasured (hidden) states of a chaotic system. The API-ESN eliminates a source of error, which is present in existing physics-informed echo state networks, in the computation of the time-derivative. This opens up new possibilities for an accurate reconstruction of chaotic dynamical states.

Large language models (LLMs) have a surprising failure: when trained on "A has a feature B", they do not generalize to "B is a feature of A", which is termed the Reversal Curse. Even when training with trillions of tokens this issue still appears due to Zipf's law - hence even if we train on the entire internet. This work proposes an alternative training scheme, called reverse training, whereby all words are used twice, doubling the amount of available tokens. The LLM is trained in both forward and reverse directions by reversing the training strings while preserving (i.e., not reversing) chosen substrings, such as entities. We show that data-matched reverse-trained models provide superior performance to standard models on standard tasks, and compute-matched reverse-trained models provide far superior performance on reversal tasks, helping resolve the reversal curse issue.

Automatic differentiation through digital signal processing algorithms for virtual analogue modelling has recently gained popularity. These algorithms are typically more computationally efficient than black-box neural networks that rely on dense matrix multiplications. Due to their differentiable nature, they can be integrated with neural networks and jointly trained using gradient descent algorithms, resulting in more efficient systems. Furthermore, signal processing algorithms have significantly fewer parameters than neural networks, allowing the application of the Newton-Raphson method. This method offers faster and more robust convergence than gradient descent at the cost of quadratic storage. This paper presents a method to emulate analogue levelling amplifiers using a feed-forward digital compressor with parameters optimised via the Newton-Raphson method. We demonstrate that a digital compressor can successfully approximate the behaviour of our target unit, the Teletronix LA-2A. Different strategies for computing the Hessian matrix are benchmarked. We leverage parallel algorithms for recursive filters to achieve efficient training on modern GPUs. The resulting model is made into a VST plugin and is open-sourced at https://github.com/aim-qmul/4a2a.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

Creating noise from data is easy; creating data from noise is generative modeling. We present a stochastic differential equation (SDE) that smoothly transforms a complex data distribution to a known prior distribution by slowly injecting noise, and a corresponding reverse-time SDE that transforms the prior distribution back into the data distribution by slowly removing the noise. Crucially, the reverse-time SDE depends only on the time-dependent gradient field (\aka, score) of the perturbed data distribution. By leveraging advances in score-based generative modeling, we can accurately estimate these scores with neural networks, and use numerical SDE solvers to generate samples. We show that this framework encapsulates previous approaches in score-based generative modeling and diffusion probabilistic modeling, allowing for new sampling procedures and new modeling capabilities. In particular, we introduce a predictor-corrector framework to correct errors in the evolution of the discretized reverse-time SDE. We also derive an equivalent neural ODE that samples from the same distribution as the SDE, but additionally enables exact likelihood computation, and improved sampling efficiency. In addition, we provide a new way to solve inverse problems with score-based models, as demonstrated with experiments on class-conditional generation, image inpainting, and colorization. Combined with multiple architectural improvements, we achieve record-breaking performance for unconditional image generation on CIFAR-10 with an Inception score of 9.89 and FID of 2.20, a competitive likelihood of 2.99 bits/dim, and demonstrate high fidelity generation of 1024 x 1024 images for the first time from a score-based generative model.

Gradients can be employed for sensitivity analysis. Here, we leverage the advantages of the Loss Landscape to comprehend which independent variables impact the dependent variable. We seek to grasp the loss landscape by utilizing first, second, and third derivatives through automatic differentiation. we know that Spearman's rank correlation coefficient can detect the monotonic relationship between two variables. However, I have found that second-order gradients, with certain configurations and parameters, provide information that can be visualized similarly to Spearman results, In this approach, we incorporate a loss function with an activation function, resulting in a non-linear pattern. Each exploration of the loss landscape through retraining yields new valuable information. Furthermore, the first and third derivatives are also beneficial, as they indicate the extent to which independent variables influence the dependent variable.

Backpropagation, the cornerstone of deep learning, is limited to computing gradients for continuous variables. This limitation poses challenges for problems involving discrete latent variables. To address this issue, we propose a novel approach to approximate the gradient of parameters involved in generating discrete latent variables. First, we examine the widely used Straight-Through (ST) heuristic and demonstrate that it works as a first-order approximation of the gradient. Guided by our findings, we propose ReinMax, which achieves second-order accuracy by integrating Heun's method, a second-order numerical method for solving ODEs. ReinMax does not require Hessian or other second-order derivatives, thus having negligible computation overheads. Extensive experimental results on various tasks demonstrate the superiority of ReinMax over the state of the art. Implementations are released at https://github.com/microsoft/ReinMax.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates samples by inverting it. Typical NF forward transformations are constrained by explicit invertibility, ensuring that the reverse process can serve as their exact analytic inverse. Recent developments in TARFlow and its variants have revitalized NF methods by combining Transformers and autoregressive flows, but have also exposed causal decoding as a major bottleneck. In this work, we introduce Bidirectional Normalizing Flow (BiFlow), a framework that removes the need for an exact analytic inverse. BiFlow learns a reverse model that approximates the underlying noise-to-data inverse mapping, enabling more flexible loss functions and architectures. Experiments on ImageNet demonstrate that BiFlow, compared to its causal decoding counterpart, improves generation quality while accelerating sampling by up to two orders of magnitude. BiFlow yields state-of-the-art results among NF-based methods and competitive performance among single-evaluation ("1-NFE") methods. Following recent encouraging progress on NFs, we hope our work will draw further attention to this classical paradigm.

Autoregressive language models are trained exclusively left-to-right. We explore the complementary factorization, training right-to-left at scale, and ask what reasoning patterns emerge when a model conditions on future context to predict the past. We train LEDOM, an open-source purely reverse autoregressive language model (2B/7B parameters, 435B tokens), and find it develops capabilities distinct from forward models, including abductive inference, question synthesis, and natural resolution of the reversal curse. We then explore one application of the reverse model: combining forward likelihood P(y mid x) with reverse posterior P(x mid y) through noisy channel duality. We propose Reverse Reward, which reranks forward outputs using reverse posterior estimates, and prove that bidirectional scoring penalizes hallucinated reasoning chains whose backward reconstruction degrades. Reverse Reward yields gains of up to 6.6\% on AIME 2024 and 15\% on AMC 2023 across multiple strong baselines. We release all models, code, and data here.

Deep generative models based on neural differential equations have quickly become the state-of-the-art for numerous generation tasks across many different applications. These models rely on ODE/SDE solvers which integrate from a prior distribution to the data distribution. In many applications it is highly desirable to then integrate in the other direction. The standard solvers, however, accumulate discretization errors which don't align with the forward trajectory, thereby prohibiting an exact inversion. In applications where the precision of the generative model is paramount this inaccuracy in inversion is often unacceptable. Current approaches to solving the inversion of these models results in significant downstream issues with poor stability and low-order of convergence; moreover, they are strictly limited to the ODE domain. In this work, we propose a new family of reversible exponential (stochastic) Runge-Kutta solvers which we refer to as Rex developed by an application of Lawson methods to convert any explicit (stochastic) Runge-Kutta scheme into a reversible one. In addition to a rigorous theoretical analysis of the proposed solvers, we also empirically demonstrate the utility of Rex on improving the sampling of Boltzmann distributions with flow models, and improving image generation and editing capabilities with diffusion models.

Instruction following (IF) is a critical capability for large language models (LLMs). However, handling complex instructions with multiple constraints remains challenging. Previous methods typically select preference pairs based on the number of constraints they satisfy, introducing noise where chosen examples may fail to follow some constraints and rejected examples may excel in certain respects over the chosen ones. To address the challenge of aligning with multiple preferences, we propose a simple yet effective method called Reverse Preference Optimization (RPO). It mitigates noise in preference pairs by dynamically reversing the constraints within the instruction to ensure the chosen response is perfect, alleviating the burden of extensive sampling and filtering to collect perfect responses. Besides, reversal also enlarges the gap between chosen and rejected responses, thereby clarifying the optimization direction and making it more robust to noise. We evaluate RPO on two multi-turn IF benchmarks, Sysbench and Multi-IF, demonstrating average improvements over the DPO baseline of 4.6 and 2.5 points (on Llama-3.1 8B), respectively. Moreover, RPO scales effectively across model sizes (8B to 70B parameters), with the 70B RPO model surpassing GPT-4o.

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to O(d^{k}) scaling of the derivative tensor size and the O(2^{k-1}L) scaling in the computation graph, where d is the dimension of the domain, L is the number of ops in the forward computation graph, and k is the derivative order. In previous works, the polynomial scaling in d was addressed by amortizing the computation over the optimization process via randomization. Separately, the exponential scaling in k for univariate functions (d=1) was addressed with high-order auto-differentiation (AD). In this work, we show how to efficiently perform arbitrary contraction of the derivative tensor of arbitrary order for multivariate functions, by properly constructing the input tangents to univariate high-order AD, which can be used to efficiently randomize any differential operator. When applied to Physics-Informed Neural Networks (PINNs), our method provides >1000times speed-up and >30times memory reduction over randomization with first-order AD, and we can now solve 1-million-dimensional PDEs in 8 minutes on a single NVIDIA A100 GPU. This work opens the possibility of using high-order differential operators in large-scale problems.

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient computation, such as locking and memorization requirements. The cost is the requirement to guess the step direction, which is hard in high dimensions. While current solutions rely on weighted averages over isotropic guess vector distributions, we propose to strongly bias our gradient guesses in directions that are much more promising, such as feedback obtained from small, local auxiliary networks. For a standard computer vision neural network, we conduct a rigorous study systematically covering a variety of combinations of gradient targets and gradient guesses, including those previously presented in the literature. We find that using gradients obtained from a local loss as a candidate direction drastically improves on random noise in Forward Gradient methods.

In a previous paper it was shown that a machine learning regression problem can be solved within the framework of random function theory, with the optimal kernel analytically derived from symmetry and indifference principles and coinciding with a polyharmonic spline. However, a direct application of that solution is limited by O(N^3) computational cost and by a breakdown of the original theoretical assumptions when the input space has excessive dimensionality. This paper proposes a cascade architecture built from packages of polyharmonic splines that simultaneously addresses scalability and is theoretically justified for problems with unknown intrinsic low dimensionality. Efficient matrix procedures are presented for forward computation and end-to-end differentiation through the cascade.

On-policy distillation is a promising approach for transferring knowledge between language models, where a student learns from dense token-level signals along its own trajectories. This framework typically uses reverse KL divergence, encouraging the student to match the teacher's high-confidence predictions. However, we show that the mode-seeking property of reverse KL reduces generation diversity and yields unstable learning signals when the teacher distribution has high entropy. To address this, we introduce Entropy-Aware On-Policy Distillation. Our key idea is augmenting the standard reverse KL objective with forward KL when teacher entropy is high, capturing the full range of plausible outputs while retaining precise imitation elsewhere. It balances mode-seeking precision with mode-covering robustness without sacrificing on-policy training efficiency. Experiments show that our method maintains generation diversity (sustained token-level entropy) and improves student-teacher alignment (lower forward KL on high-entropy tokens). Across six math reasoning benchmarks, this yields Pass@8 accuracy gains of +1.37 for Qwen3-0.6B-Base, +2.39 for Qwen3-1.7B-Base, and +5.05 for Qwen3-4B-Base compared to baseline on-policy distillation methods. These results demonstrate that accounting for teacher uncertainty is essential for maintaining diversity and achieving effective knowledge transfer.

Evaluating natural language generation (NLG) systems is challenging due to the diversity of valid outputs. While human evaluation is the gold standard, it suffers from inconsistencies, lack of standardisation, and demographic biases, limiting reproducibility. LLM-based evaluation offers a scalable alternative but is highly sensitive to prompt design, where small variations can lead to significant discrepancies. In this work, we propose an inversion learning method that learns effective reverse mappings from model outputs back to their input instructions, enabling the automatic generation of highly effective, model-specific evaluation prompts. Our method requires only a single evaluation sample and eliminates the need for time-consuming manual prompt engineering, thereby improving both efficiency and robustness. Our work contributes toward a new direction for more robust and efficient LLM-based evaluation.

Online Normalization is a new technique for normalizing the hidden activations of a neural network. Like Batch Normalization, it normalizes the sample dimension. While Online Normalization does not use batches, it is as accurate as Batch Normalization. We resolve a theoretical limitation of Batch Normalization by introducing an unbiased technique for computing the gradient of normalized activations. Online Normalization works with automatic differentiation by adding statistical normalization as a primitive. This technique can be used in cases not covered by some other normalizers, such as recurrent networks, fully connected networks, and networks with activation memory requirements prohibitive for batching. We show its applications to image classification, image segmentation, and language modeling. We present formal proofs and experimental results on ImageNet, CIFAR, and PTB datasets.

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the explicit differentiation implementation against autodifferentiation implementations, which have the benefit of extending the utility of the library to any architecture supported by PyTorch, such as convolutional networks. A feature of the library is that we expose the user to layerwise NTK components, and show that in some regimes a layerwise calculation is more memory efficient. We conduct preliminary experiments to demonstrate use cases for the software and probe the NTK.

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce self-consistency along the full PF-ODE trajectory to steer it toward the clean data manifold, vanilla DMD relies on sparse supervision at a few predefined discrete timesteps. This restricted discrete-time formulation and mode-seeking nature of the reverse KL divergence tends to exhibit visual artifacts and over-smoothed outputs, often necessitating complex auxiliary modules -- such as GANs or reward models -- to restore visual fidelity. In this work, we introduce Continuous-Time Distribution Matching (CDM), migrating the DMD framework from discrete anchoring to continuous optimization for the first time. CDM achieves this through two continuous-time designs. First, we replace the fixed discrete schedule with a dynamic continuous schedule of random length, so that distribution matching is enforced at arbitrary points along sampling trajectories rather than only at a few fixed anchors. Second, we propose a continuous-time alignment objective that performs active off-trajectory matching on latents extrapolated via the student's velocity field, improving generalization and preserving fine visual details. Extensive experiments on different architectures, including SD3-Medium and Longcat-Image, demonstrate that CDM provides highly competitive visual fidelity for few-step image generation without relying on complex auxiliary objectives. Code is available at https://github.com/byliutao/cdm.

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.

Computing the matrix square root or its inverse in a differentiable manner is important in a variety of computer vision tasks. Previous methods either adopt the Singular Value Decomposition (SVD) to explicitly factorize the matrix or use the Newton-Schulz iteration (NS iteration) to derive the approximate solution. However, both methods are not computationally efficient enough in either the forward pass or in the backward pass. In this paper, we propose two more efficient variants to compute the differentiable matrix square root. For the forward propagation, one method is to use Matrix Taylor Polynomial (MTP), and the other method is to use Matrix Pad\'e Approximants (MPA). The backward gradient is computed by iteratively solving the continuous-time Lyapunov equation using the matrix sign function. Both methods yield considerable speed-up compared with the SVD or the Newton-Schulz iteration. Experimental results on the de-correlated batch normalization and second-order vision transformer demonstrate that our methods can also achieve competitive and even slightly better performances. The code is available at https://github.com/KingJamesSong/FastDifferentiableMatSqrt{https://github.com/KingJamesSong/FastDifferentiableMatSqrt}.

Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce SKILD, a Scale-invariant K-Space Image Learning Diffusion model that unifies generation and continuous super-resolution within a single unconditional framework. Both natural images and critical physical systems exhibit scale invariance, and we leverage it to design a forward process that attenuates image content from fine to coarse scales while injecting spectrum-matched Gaussian noise, making scale an explicit coordinate of the diffusion dynamics. The same trained reverse process performs generation and continuous super-resolution by varying only the starting timestep: no task-specific architecture, no conditioning branch, no classifier-free guidance, no retraining per scale factor. Empirically, SKILD reaches FID 2.65 and Inception Score 9.63 on unconditional CIFAR-10, performs 2times--8times super-resolution on ImageNet from a single unconditional checkpoint while outperforming conditional models across perceptual metrics, and reconstructs critical Ising models whose connected four-point correlations closely track the ground truth.

This paper introduces WaveGrad, a conditional model for waveform generation which estimates gradients of the data density. The model is built on prior work on score matching and diffusion probabilistic models. It starts from a Gaussian white noise signal and iteratively refines the signal via a gradient-based sampler conditioned on the mel-spectrogram. WaveGrad offers a natural way to trade inference speed for sample quality by adjusting the number of refinement steps, and bridges the gap between non-autoregressive and autoregressive models in terms of audio quality. We find that it can generate high fidelity audio samples using as few as six iterations. Experiments reveal WaveGrad to generate high fidelity audio, outperforming adversarial non-autoregressive baselines and matching a strong likelihood-based autoregressive baseline using fewer sequential operations. Audio samples are available at https://wavegrad.github.io/.

Kullback-Leiber divergence has been widely used in Knowledge Distillation (KD) to compress Large Language Models (LLMs). Contrary to prior assertions that reverse Kullback-Leibler (RKL) divergence is mode-seeking and thus preferable over the mean-seeking forward Kullback-Leibler (FKL) divergence, this study empirically and theoretically demonstrates that neither mode-seeking nor mean-seeking properties manifest in KD for LLMs. Instead, RKL and FKL are found to share the same optimization objective and both converge after a sufficient number of epochs. However, due to practical constraints, LLMs are seldom trained for such an extensive number of epochs. Meanwhile, we further find that RKL focuses on the tail part of the distributions, while FKL focuses on the head part at the beginning epochs. Consequently, we propose a simple yet effective Adaptive Kullback-Leiber (AKL) divergence method, which adaptively allocates weights to combine FKL and RKL. Metric-based and GPT-4-based evaluations demonstrate that the proposed AKL outperforms the baselines across various tasks and improves the diversity and quality of generated responses.

AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from 51% to 55%, yields 20% relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.

Model-agnostic meta-reinforcement learning requires estimating the Hessian matrix of value functions. This is challenging from an implementation perspective, as repeatedly differentiating policy gradient estimates may lead to biased Hessian estimates. In this work, we provide a unifying framework for estimating higher-order derivatives of value functions, based on off-policy evaluation. Our framework interprets a number of prior approaches as special cases and elucidates the bias and variance trade-off of Hessian estimates. This framework also opens the door to a new family of estimates, which can be easily implemented with auto-differentiation libraries, and lead to performance gains in practice.

On-Policy Distillation (OPD) has emerged as a dominant post-training paradigm for large language models, especially for reasoning domains. However, OPD remains unstable in practice due to the high gradient variance of its single-sample Monte Carlo estimator, and recipes for stable training are still immature. We propose vOPD (On-Policy Distillation with a control variate baseline), which casts OPD as policy-gradient RL and stabilizes it by introducing a control variate baseline-canonically a value function -- from the RL literature. We show that the OPD value function admits a closed form as the per-token negative reverse KL divergence between the student and the teacher, available directly from the already-computed forward pass with no additional critic or inference. Existing stabilization methods either compute the full token-level reverse KL over the entire vocabulary, adding significant overhead, or restrict it to a top-k support, biasing the objective. vOPD instead preserves the lightweight single-sample estimator, subtracting the value function as a detached baseline to keep the gradient unbiased while reducing variance. Furthermore, we show that a top-k approximation of the baseline further lowers cost without compromising performance. Across mathematical and scientific reasoning benchmarks, vOPD consistently outperforms vanilla OPD and matches the most expensive full-vocabulary baseline, offering an efficient stabilization of On-Policy Distillation through principled RL variance reduction.

Unlike the predictable scaling laws in natural language processing and computer vision, protein language models (PLMs) scale poorly: for many tasks, models within the same family plateau or even decrease in performance, with mid-sized models often outperforming the largest in the family. We introduce Reverse Distillation, a principled framework that decomposes large PLM representations into orthogonal subspaces guided by smaller models of the same family. The resulting embeddings have a nested, Matryoshka-style structure: the first k dimensions of a larger model's embedding are exactly the representation from the smaller model. This ensures that larger reverse-distilled models consistently outperform smaller ones. A motivating intuition is that smaller models, constrained by capacity, preferentially encode broadly-shared protein features. Reverse distillation isolates these shared features and orthogonally extracts additional contributions from larger models, preventing interference between the two. On ProteinGym benchmarks, reverse-distilled ESM-2 variants outperform their respective baselines at the same embedding dimensionality, with the reverse-distilled 15 billion parameter model achieving the strongest performance. Our framework is generalizable to any model family where scaling challenges persist. Code and trained models are available at https://github.com/rohitsinghlab/plm_reverse_distillation.

Sorting is a fundamental operation of all computer systems, having been a long-standing significant research topic. Beyond the problem formulation of traditional sorting algorithms, we consider sorting problems for more abstract yet expressive inputs, e.g., multi-digit images and image fragments, through a neural sorting network. To learn a mapping from a high-dimensional input to an ordinal variable, the differentiability of sorting networks needs to be guaranteed. In this paper we define a softening error by a differentiable swap function, and develop an error-free swap function that holds a non-decreasing condition and differentiability. Furthermore, a permutation-equivariant Transformer network with multi-head attention is adopted to capture dependency between given inputs and also leverage its model capacity with self-attention. Experiments on diverse sorting benchmarks show that our methods perform better than or comparable to baseline methods.

We investigate causal computations taking sequences of inputs to sequences of outputs where the nth output depends on the first n inputs only. We model these in category theory via a construction taking a Cartesian category C to another category St(C) with a novel trace-like operation called "delayed trace", which misses yanking and dinaturality axioms of the usual trace. The delayed trace operation provides a feedback mechanism in St(C) with an implicit guardedness guarantee. When C is equipped with a Cartesian differential operator, we construct a differential operator for St(C) using an abstract version of backpropagation through time, a technique from machine learning based on unrolling of functions. This obtains a swath of properties for backpropagation through time, including a chain rule and Schwartz theorem. Our differential operator is also able to compute the derivative of a stateful network without requiring the network to be unrolled.

Diffusion models are powerful generative models that simulate the reverse of diffusion processes using score functions to synthesize data from noise. The sampling process of diffusion models can be interpreted as solving the reverse stochastic differential equation (SDE) or the ordinary differential equation (ODE) of the diffusion process, which often requires up to thousands of discretization steps to generate a single image. This has sparked a great interest in developing efficient integration techniques for reverse-S/ODEs. Here, we propose an orthogonal approach to accelerating score-based sampling: Denoising MCMC (DMCMC). DMCMC first uses MCMC to produce samples in the product space of data and variance (or diffusion time). Then, a reverse-S/ODE integrator is used to denoise the MCMC samples. Since MCMC traverses close to the data manifold, the computation cost of producing a clean sample for DMCMC is much less than that of producing a clean sample from noise. To verify the proposed concept, we show that Denoising Langevin Gibbs (DLG), an instance of DMCMC, successfully accelerates all six reverse-S/ODE integrators considered in this work on the tasks of CIFAR10 and CelebA-HQ-256 image generation. Notably, combined with integrators of Karras et al. (2022) and pre-trained score models of Song et al. (2021b), DLG achieves SOTA results. In the limited number of score function evaluation (NFE) settings on CIFAR10, we have 3.86 FID with approx 10 NFE and 2.63 FID with approx 20 NFE. On CelebA-HQ-256, we have 6.99 FID with approx 160 NFE, which beats the current best record of Kim et al. (2022) among score-based models, 7.16 FID with 4000 NFE. Code: https://github.com/1202kbs/DMCMC

Large language models have significantly advanced Multilingual Machine Translation (MMT), yet the broad language coverage, consistent translation quality, and English-centric bias remain open challenges. To address these challenges, we introduce LMT, a suite of Large-scale Multilingual Translation models centered on both Chinese and English, covering 60 languages and 234 translation directions. During development, we identify a previously overlooked phenomenon of directional degeneration, where symmetric multi-way fine-tuning data overemphasize reverse directions (X to En/Zh), leading to excessive many-to-one mappings and degraded translation quality. We propose Strategic Downsampling, a simple yet effective method to mitigate this degeneration. In addition, we design Parallel Multilingual Prompting (PMP), which leverages typologically related auxiliary languages to enhance cross-lingual transfer. Through rigorous data curation and refined adaptation strategies, LMT achieves SOTA performance among models of comparable language coverage, with our 4B model (LMT-60-4B) surpassing the much larger Aya-101-13B and NLLB-54B models by a substantial margin. We release LMT in four sizes (0.6B/1.7B/4B/8B) to catalyze future research and provide strong baselines for inclusive, scalable, and high-quality MMT \href{https://github.com/NiuTrans/LMT{https://github.com/NiuTrans/LMT}}.

Neural networks are trained to learn an approximate mapping from an input domain to a target domain. Incorporating prior knowledge about true mappings is critical to learning a useful approximation. With current architectures, it is challenging to enforce structure on the derivatives of the input-output mapping. We propose to use a neural network to directly learn the Jacobian of the input-output function, which allows easy control of the derivative. We focus on structuring the derivative to allow invertibility and also demonstrate that other useful priors, such as k-Lipschitz, can be enforced. Using this approach, we can learn approximations to simple functions that are guaranteed to be invertible and easily compute the inverse. We also show similar results for 1-Lipschitz functions.

Exemplar-guided Image Editing (EIE) aims to modify a source image according to a visual reference. Existing approaches often require large-scale pre-training to learn relationships between the source and reference images, incurring high computational costs. As a training-free alternative, inversion techniques can be used to map the source image into a latent space for manipulation. However, our empirical study reveals that standard inversion is sub-optimal for EIE, leading to poor quality and inefficiency. To tackle this challenge, we introduce Reversible Inversion ({ReInversion)} for effective and efficient EIE. Specifically, ReInversion operates as a two-stage denoising process, which is first conditioned on the source image and subsequently on the reference. Besides, we introduce a Mask-Guided Selective Denoising (MSD) strategy to constrain edits to target regions, preserving the structural consistency of the background. Both qualitative and quantitative comparisons demonstrate that our ReInversion method achieves state-of-the-art EIE performance with the lowest computational overhead.

This paper presents a stochastic differential equation (SDE) approach for general-purpose image restoration. The key construction consists in a mean-reverting SDE that transforms a high-quality image into a degraded counterpart as a mean state with fixed Gaussian noise. Then, by simulating the corresponding reverse-time SDE, we are able to restore the origin of the low-quality image without relying on any task-specific prior knowledge. Crucially, the proposed mean-reverting SDE has a closed-form solution, allowing us to compute the ground truth time-dependent score and learn it with a neural network. Moreover, we propose a maximum likelihood objective to learn an optimal reverse trajectory that stabilizes the training and improves the restoration results. The experiments show that our proposed method achieves highly competitive performance in quantitative comparisons on image deraining, deblurring, and denoising, setting a new state-of-the-art on two deraining datasets. Finally, the general applicability of our approach is further demonstrated via qualitative results on image super-resolution, inpainting, and dehazing. Code is available at https://github.com/Algolzw/image-restoration-sde.

The growth of the Machine-Learning-As-A-Service (MLaaS) market has highlighted clients' data privacy and security issues. Private inference (PI) techniques using cryptographic primitives offer a solution but often have high computation and communication costs, particularly with non-linear operators like ReLU. Many attempts to reduce ReLU operations exist, but they may need heuristic threshold selection or cause substantial accuracy loss. This work introduces AutoReP, a gradient-based approach to lessen non-linear operators and alleviate these issues. It automates the selection of ReLU and polynomial functions to speed up PI applications and introduces distribution-aware polynomial approximation (DaPa) to maintain model expressivity while accurately approximating ReLUs. Our experimental results demonstrate significant accuracy improvements of 6.12% (94.31%, 12.9K ReLU budget, CIFAR-10), 8.39% (74.92%, 12.9K ReLU budget, CIFAR-100), and 9.45% (63.69%, 55K ReLU budget, Tiny-ImageNet) over current state-of-the-art methods, e.g., SNL. Morever, AutoReP is applied to EfficientNet-B2 on ImageNet dataset, and achieved 75.55% accuracy with 176.1 times ReLU budget reduction.

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

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a search over a space of plausible dynamical systems. However, controlling the computational cost for these models is difficult since it relies on the number of steps the adaptive solver takes. Most prior works have used higher-order methods to reduce prediction timings while greatly increasing training time or reducing both training and prediction timings by relying on specific training algorithms, which are harder to use as a drop-in replacement due to strict requirements on automatic differentiation. In this manuscript, we use internal cost heuristics of adaptive differential equation solvers at stochastic time points to guide the training toward learning a dynamical system that is easier to integrate. We "close the black-box" and allow the use of our method with any adjoint technique for gradient calculations of the differential equation solution. We perform experimental studies to compare our method to global regularization to show that we attain similar performance numbers without compromising the flexibility of implementation on ordinary differential equations (ODEs) and stochastic differential equations (SDEs). We develop two sampling strategies to trade off between performance and training time. Our method reduces the number of function evaluations to 0.556-0.733x and accelerates predictions by 1.3-2x.

Diffusion models have demonstrated remarkable generation quality but at the cost of numerous function evaluations. Recently, advanced ODE-based solvers have been developed to mitigate the substantial computational demands of reverse-diffusion solving under limited sampling steps. However, these solvers, heavily inspired by Adams-like multistep methods, rely solely on t-related Lagrange interpolation. We show that t-related Lagrange interpolation is suboptimal for diffusion model and reveal a compact search space comprised of time steps and solver coefficients. Building on our analysis, we propose a novel differentiable solver search algorithm to identify more optimal solver. Equipped with the searched solver, rectified-flow models, e.g., SiT-XL/2 and FlowDCN-XL/2, achieve FID scores of 2.40 and 2.35, respectively, on ImageNet256 with only 10 steps. Meanwhile, DDPM model, DiT-XL/2, reaches a FID score of 2.33 with only 10 steps. Notably, our searched solver outperforms traditional solvers by a significant margin. Moreover, our searched solver demonstrates generality across various model architectures, resolutions, and model sizes.

Denoising diffusion models (DDMs) have led to staggering performance leaps in image generation, editing and restoration. However, existing DDMs use very large datasets for training. Here, we introduce a framework for training a DDM on a single image. Our method, which we coin SinDDM, learns the internal statistics of the training image by using a multi-scale diffusion process. To drive the reverse diffusion process, we use a fully-convolutional light-weight denoiser, which is conditioned on both the noise level and the scale. This architecture allows generating samples of arbitrary dimensions, in a coarse-to-fine manner. As we illustrate, SinDDM generates diverse high-quality samples, and is applicable in a wide array of tasks, including style transfer and harmonization. Furthermore, it can be easily guided by external supervision. Particularly, we demonstrate text-guided generation from a single image using a pre-trained CLIP model.

We introduce Sven (Singular Value dEsceNt), a new optimization algorithm for neural networks that exploits the natural decomposition of loss functions into a sum over individual data points, rather than reducing the full loss to a single scalar before computing a parameter update. Sven treats each data point's residual as a separate condition to be satisfied simultaneously, using the Moore-Penrose pseudoinverse of the loss Jacobian to find the minimum-norm parameter update that best satisfies all conditions at once. In practice, this pseudoinverse is approximated via a truncated singular value decomposition, retaining only the k most significant directions and incurring a computational overhead of only a factor of k relative to stochastic gradient descent. This is in comparison to traditional natural gradient methods, which scale as the square of the number of parameters. We show that Sven can be understood as a natural gradient method generalized to the over-parametrized regime, recovering natural gradient descent in the under-parametrized limit. On regression tasks, Sven significantly outperforms standard first-order methods including Adam, converging faster and to a lower final loss, while remaining competitive with LBFGS at a fraction of the wall-time cost. We discuss the primary challenge to scaling, namely memory overhead, and propose mitigation strategies. Beyond standard machine learning benchmarks, we anticipate that Sven will find natural application in scientific computing settings where custom loss functions decompose into several conditions.

A single two-input gate suffices for all of Boolean logic in digital hardware. No comparable primitive has been known for continuous mathematics: computing elementary functions such as sin, cos, sqrt, and log has always required multiple distinct operations. Here I show that a single binary operator, eml(x,y)=exp(x)-ln(y), together with the constant 1, generates the standard repertoire of a scientific calculator. This includes constants such as e, pi, and i; arithmetic operations including addition, subtraction, multiplication, division, and exponentiation as well as the usual transcendental and algebraic functions. For example, exp(x)=eml(x,1), ln(x)=eml(1,eml(eml(1,x),1)), and likewise for all other operations. That such an operator exists was not anticipated; I found it by systematic exhaustive search and established constructively that it suffices for the concrete scientific-calculator basis. In EML (Exp-Minus-Log) form, every such expression becomes a binary tree of identical nodes, yielding a grammar as simple as S -> 1 | eml(S,S). This uniform structure also enables gradient-based symbolic regression: using EML trees as trainable circuits with standard optimizers (Adam), I demonstrate the feasibility of exact recovery of closed-form elementary functions from numerical data at shallow tree depths up to 4. The same architecture can fit arbitrary data, but when the generating law is elementary, it may recover the exact formula.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Denoising diffusion models (DDMs) have emerged as a powerful class of generative models. A forward diffusion process slowly perturbs the data, while a deep model learns to gradually denoise. Synthesis amounts to solving a differential equation (DE) defined by the learnt model. Solving the DE requires slow iterative solvers for high-quality generation. In this work, we propose Higher-Order Denoising Diffusion Solvers (GENIE): Based on truncated Taylor methods, we derive a novel higher-order solver that significantly accelerates synthesis. Our solver relies on higher-order gradients of the perturbed data distribution, that is, higher-order score functions. In practice, only Jacobian-vector products (JVPs) are required and we propose to extract them from the first-order score network via automatic differentiation. We then distill the JVPs into a separate neural network that allows us to efficiently compute the necessary higher-order terms for our novel sampler during synthesis. We only need to train a small additional head on top of the first-order score network. We validate GENIE on multiple image generation benchmarks and demonstrate that GENIE outperforms all previous solvers. Unlike recent methods that fundamentally alter the generation process in DDMs, our GENIE solves the true generative DE and still enables applications such as encoding and guided sampling. Project page and code: https://nv-tlabs.github.io/GENIE.

We study data distillation for auto-regressive machine learning tasks, where the input and output have a strict left-to-right causal structure. More specifically, we propose Farzi, which summarizes an event sequence dataset into a small number of synthetic sequences -- Farzi Data -- which are optimized to maintain (if not improve) model performance compared to training on the full dataset. Under the hood, Farzi conducts memory-efficient data distillation by (i) deriving efficient reverse-mode differentiation of the Adam optimizer by leveraging Hessian-Vector Products; and (ii) factorizing the high-dimensional discrete event-space into a latent-space which provably promotes implicit regularization. Empirically, for sequential recommendation and language modeling tasks, we are able to achieve 98-120% of downstream full-data performance when training state-of-the-art models on Farzi Data of size as little as 0.1% of the original dataset. Notably, being able to train better models with significantly less data sheds light on the design of future large auto-regressive models, and opens up new opportunities to further scale up model and data sizes.

In the post-training of large language models (LLMs), Reinforcement Learning from Human Feedback (RLHF) is an effective approach to achieve generation aligned with human preferences. Direct Preference Optimization (DPO) allows for policy training with a simple binary cross-entropy loss without a reward model. The objective of DPO is regularized by reverse KL divergence that encourages mode-seeking fitting to the reference policy. Nonetheless, we indicate that minimizing reverse KL divergence could fail to capture a mode of the reference distribution, which may hurt the policy's performance. Based on this observation, we propose a simple modification to DPO, H-DPO, which allows for control over the entropy of the resulting policy, enhancing the distribution's sharpness and thereby enabling mode-seeking fitting more effectively. In our experiments, we show that H-DPO outperformed DPO across various tasks, demonstrating superior results in pass@k evaluations for mathematical tasks. Moreover, H-DPO is simple to implement, requiring only minor modifications to the loss calculation of DPO, which makes it highly practical and promising for wide-ranging applications in the training of LLMs.

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

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

This study addresses the critical gap in Arabic natural language processing by developing an effective Arabic Reverse Dictionary (RD) system that enables users to find words based on their descriptions or meanings. We present a novel transformer-based approach with a semi-encoder neural network architecture featuring geometrically decreasing layers that achieves state-of-the-art results for Arabic RD tasks. Our methodology incorporates a comprehensive dataset construction process and establishes formal quality standards for Arabic lexicographic definitions. Experiments with various pre-trained models demonstrate that Arabic-specific models significantly outperform general multilingual embeddings, with ARBERTv2 achieving the best ranking score (0.0644). Additionally, we provide a formal abstraction of the reverse dictionary task that enhances theoretical understanding and develop a modular, extensible Python library (RDTL) with configurable training pipelines. Our analysis of dataset quality reveals important insights for improving Arabic definition construction, leading to eight specific standards for building high-quality reverse dictionary resources. This work contributes significantly to Arabic computational linguistics and provides valuable tools for language learning, academic writing, and professional communication in Arabic.

In image editing employing diffusion models, it is crucial to preserve the reconstruction quality of the original image while changing its style. Although existing methods ensure reconstruction quality through optimization, a drawback of these is the significant amount of time required for optimization. In this paper, we propose negative-prompt inversion, a method capable of achieving equivalent reconstruction solely through forward propagation without optimization, thereby enabling much faster editing processes. We experimentally demonstrate that the reconstruction quality of our method is comparable to that of existing methods, allowing for inversion at a resolution of 512 pixels and with 50 sampling steps within approximately 5 seconds, which is more than 30 times faster than null-text inversion. Reduction of the computation time by the proposed method further allows us to use a larger number of sampling steps in diffusion models to improve the reconstruction quality with a moderate increase in computation time.

Standard LLM distillation wastes compute on two fronts: problems the student has already mastered (near-zero gradients) and problems far beyond its reach (incoherent gradients that erode existing capabilities). We show that this waste is not merely intuitive but structurally inevitable: the gradient signal-to-noise ratio in distillation provably vanishes at both pass-rate extremes. This theoretical observation leads to Paced, a framework that concentrates distillation on the zone of proximal development -- the frontier of a student model's competence -- via a principled pass-rate weight w(p) = p^α(1 - p)^β derived from the boundary-vanishing structure of distillation gradients. Key results: (1) Theory: We prove that the Beta kernel w(p) = p^α(1-p)^β is a leading-order weight family arising from the SNR structure of distillation, and that it is minimax-robust -- under bounded multiplicative misspecification, worst-case efficiency loss is only O(δ^2). (2)Distillation: On distillation from a larger teacher to a smaller student model with forward KL, Paced achieves significant gain over the base model, while keeping benchmark forgetting at a low level. (3)Self-distillation: On instruction-tuned models with reverse KL, gains are exceeding baselines as well. (4)Two-stage synergy: A forward-KL-then-reverse-KL schedule yields the strongest results in our setting, reaching substantial improvements on standard reasoning benchmarks -- supporting a mode-coverage-then-consolidation interpretation of the distillation process. All configurations require only student rollouts to estimate pass rates, need no architectural changes, and are compatible with any KL direction.

Memory is a limiting resource for many deep learning tasks. Beside the neural network weights, one main memory consumer is the computation graph built up by automatic differentiation (AD) for backpropagation. We observe that PyTorch's current AD implementation neglects information about parameter differentiability when storing the computation graph. This information is useful though to reduce memory whenever gradients are requested for a parameter subset, as is the case in many modern fine-tuning tasks. Specifically, inputs to layers that act linearly in their parameters (dense, convolution, or normalization layers) can be discarded whenever the parameters are marked as non-differentiable. We provide a drop-in, differentiability-agnostic implementation of such layers and demonstrate its ability to reduce memory without affecting run time.

In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean Reverting (MR) Diffusion directly modifies the structure of the stochastic differential equation (SDE), making the incorporation of image conditions simpler and more natural. However, current training-free fast samplers are not directly applicable to MR Diffusion. And thus MR Diffusion requires hundreds of NFEs (number of function evaluations) to obtain high-quality samples. In this paper, we propose a new algorithm named MRS (MR Sampler) to reduce the sampling NFEs of MR Diffusion. We solve the reverse-time SDE and the probability flow ordinary differential equation (PF-ODE) associated with MR Diffusion, and derive semi-analytical solutions. The solutions consist of an analytical function and an integral parameterized by a neural network. Based on this solution, we can generate high-quality samples in fewer steps. Our approach does not require training and supports all mainstream parameterizations, including noise prediction, data prediction and velocity prediction. Extensive experiments demonstrate that MR Sampler maintains high sampling quality with a speedup of 10 to 20 times across ten different image restoration tasks. Our algorithm accelerates the sampling procedure of MR Diffusion, making it more practical in controllable generation.

Distribution matching distillation (DMD) aligns a multi-step generator with its few-step counterpart to enable high-quality generation under low inference cost. However, DMD tends to suffer from mode collapse, as its reverse-KL formulation inherently encourages mode-seeking behavior, for which existing remedies typically rely on perceptual or adversarial regularization, thereby incurring substantial computational overhead and training instability. In this work, we propose a role-separated distillation framework that explicitly disentangles the roles of distilled steps: the first step is dedicated to preserving sample diversity via a target-prediction (e.g., v-prediction) objective, while subsequent steps focus on quality refinement under the standard DMD loss, with gradients from the DMD objective blocked at the first step. We term this approach Diversity-Preserved DMD (DP-DMD), which, despite its simplicity -- no perceptual backbone, no discriminator, no auxiliary networks, and no additional ground-truth images -- preserves sample diversity while maintaining visual quality on par with state-of-the-art methods in extensive text-to-image experiments.

Group Relative Policy Optimization (GRPO) is widely used for critic-free Large Language Model (LLM) post-training, but its KL regularization is usually implemented as a local loss-side token penalty. We show that this misses the policy-gradient signal induced by autoregressive KL regularization. Unlike standard KL-regularized Reinforcement Learning (RL) objectives, GRPO's group normalization induces a non-linear prompt-level utility; for binary verifier rewards, this utility is 2arcsinsqrt p. As a result, reward and KL cannot be fused before normalization without changing the implicit objective. We derive the on-policy gradient of GRPO-style objectives with token-wise f-divergence regularization. The reward term recovers the standardized GRPO advantage, while the regularizer term includes a causal future-regularization return-to-go omitted by local KL losses. For reverse KL, this yields a simple future KL correction: add a reverse cumulative sum of per-token log ratios after advantage construction. The resulting method, Future-KL Regularized Policy Optimization (FRPO), requires no critic or extra model passes. On mathematical reasoning tasks, FRPO improves pass@16 in our main large-model setting while maintaining higher entropy and lower policy drift than conventional loss-side KL baselines.

Autoregressive (AR) diffusion offers a promising framework for generating videos of theoretically infinite length. However, a major challenge is maintaining temporal continuity while preventing the progressive quality degradation caused by error accumulation. To ensure continuity, existing methods typically condition on highly denoised contexts; yet, this practice propagates prediction errors with high certainty, thereby exacerbating degradation. In this paper, we argue that a highly clean context is unnecessary. Drawing inspiration from bidirectional diffusion models, which denoise frames at a shared noise level while maintaining coherence, we propose that conditioning on context at the same noise level as the current block provides sufficient signal for temporal consistency while effectively mitigating error propagation. Building on this insight, we propose HiAR, a hierarchical denoising framework that reverses the conventional generation order: instead of completing each block sequentially, it performs causal generation across all blocks at every denoising step, so that each block is always conditioned on context at the same noise level. This hierarchy naturally admits pipelined parallel inference, yielding a 1.8 wall-clock speedup in our 4-step setting. We further observe that self-rollout distillation under this paradigm amplifies a low-motion shortcut inherent to the mode-seeking reverse-KL objective. To counteract this, we introduce a forward-KL regulariser in bidirectional-attention mode, which preserves motion diversity for causal inference without interfering with the distillation loss. On VBench (20s generation), HiAR achieves the best overall score and the lowest temporal drift among all compared methods.

While backpropagation (BP) is the mainstream approach for gradient computation in neural network training, its heavy reliance on the chain rule of differentiation constrains the designing flexibility of network architecture and training pipelines. We avoid the recursive computation in BP and develop a unified likelihood ratio (ULR) method for gradient estimation with just one forward propagation. Not only can ULR be extended to train a wide variety of neural network architectures, but the computation flow in BP can also be rearranged by ULR for better device adaptation. Moreover, we propose several variance reduction techniques to further accelerate the training process. Our experiments offer numerical results across diverse aspects, including various neural network training scenarios, computation flow rearrangement, and fine-tuning of pre-trained models. All findings demonstrate that ULR effectively enhances the flexibility of neural network training by permitting localized module training without compromising the global objective and significantly boosts the network robustness.

The efficacy of deep residual networks is fundamentally predicated on the identity shortcut connection. While this mechanism effectively mitigates the vanishing gradient problem, it imposes a strictly additive inductive bias on feature transformations, thereby limiting the network's capacity to model complex state transitions. In this paper, we introduce Deep Delta Learning (DDL), a novel architecture that generalizes the standard residual connection by modulating the identity shortcut with a learnable, data-dependent geometric transformation. This transformation, termed the Delta Operator, constitutes a rank-1 perturbation of the identity matrix, parameterized by a reflection direction vector k(X) and a gating scalar β(X). We provide a spectral analysis of this operator, demonstrating that the gate β(X) enables dynamic interpolation between identity mapping, orthogonal projection, and geometric reflection. Furthermore, we restructure the residual update as a synchronous rank-1 injection, where the gate acts as a dynamic step size governing both the erasure of old information and the writing of new features. This unification empowers the network to explicitly control the spectrum of its layer-wise transition operator, enabling the modeling of complex, non-monotonic dynamics while preserving the stable training characteristics of gated residual architectures.

Knowledge Distillation (KD) is a promising technique for reducing the high computational demand of large language models (LLMs). However, previous KD methods are primarily applied to white-box classification models or training small models to imitate black-box model APIs like ChatGPT. How to effectively distill the knowledge from white-box generative LLMs is still under-explored, which becomes more and more important with the prosperity of LLMs. In this work, we propose MiniLLM that distills smaller language models from generative larger language models. We first replace the forward Kullback-Leibler divergence (KLD) objective in the standard KD approaches with reverse KLD, which is more suitable for KD on generative language models, to prevent the student model from overestimating the low-probability regions of the teacher distribution. Then, we derive an effective optimization approach to learn this objective. Extensive experiments in the instruction-following setting show that the MiniLLM models generate more precise responses with the higher overall quality, lower exposure bias, better calibration, and higher long-text generation performance. Our method is also scalable for different model families with 120M to 13B parameters. We will release our code and model checkpoints at https://aka.ms/MiniLLM.

The Automated Model Evaluation (AutoEval) framework entertains the possibility of evaluating a trained machine learning model without resorting to a labeled testing set. Despite the promise and some decent results, the existing AutoEval methods heavily rely on computing distribution shifts between the unlabelled testing set and the training set. We believe this reliance on the training set becomes another obstacle in shipping this technology to real-world ML development. In this work, we propose Contrastive Automatic Model Evaluation (CAME), a novel AutoEval framework that is rid of involving training set in the loop. The core idea of CAME bases on a theoretical analysis which bonds the model performance with a contrastive loss. Further, with extensive empirical validation, we manage to set up a predictable relationship between the two, simply by deducing on the unlabeled/unseen testing set. The resulting framework CAME establishes a new SOTA results for AutoEval by surpassing prior work significantly.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

We propose a categorical semantics of gradient-based machine learning algorithms in terms of lenses, parametrised maps, and reverse derivative categories. This foundation provides a powerful explanatory and unifying framework: it encompasses a variety of gradient descent algorithms such as ADAM, AdaGrad, and Nesterov momentum, as well as a variety of loss functions such as as MSE and Softmax cross-entropy, shedding new light on their similarities and differences. Our approach to gradient-based learning has examples generalising beyond the familiar continuous domains (modelled in categories of smooth maps) and can be realized in the discrete setting of boolean circuits. Finally, we demonstrate the practical significance of our framework with an implementation in Python.

Elastic distances like dynamic time warping (DTW) are central to time series machine learning because they compare sequences under local temporal misalignment. Soft-DTW is an adaptation of DTW that can be used as a gradient-based loss by replacing the hard minimum in its dynamic-programming recursion with a smooth relaxation. However, this approach does not directly extend to elastic distances whose transition costs depend on the local alignment context. Move-Split-Merge (MSM) is one such distance: it uses context-aware split and merge penalties and has often outperformed DTW in supervised and unsupervised time series machine learning tasks such as classification and clustering. We introduce Soft-MSM, a smooth relaxation of MSM and an elastic alignment loss with context-aware transition costs. Central to the formulation is a smooth gated surrogate for MSM's piecewise split/merge cost, which enables gradients through both the dynamic-programming recursion and the local transition structure. We derive the forward recursion, backward recursion, soft alignment matrix, closed-form gradient, limiting behaviour, and divergence-corrected formulation. Experiments on 112 UCR datasets show that Soft-MSM gives lower MSM barycentre loss than existing MSM barycentre methods, and yields significantly better clustering and nearest-centroid classification performance than Soft-DTW-based alternatives. An implementation is available in the open-source aeon toolkit.

Recent text-to-image diffusion models have demonstrated remarkable generation of realistic facial images conditioned on textual prompts and human identities, enabling creating personalized facial imagery. However, existing prompt-based methods for removing or modifying identity-specific features rely either on the subject being well-represented in the pre-trained model or require model fine-tuning for specific identities. In this work, we analyze the identity generation process and introduce a reverse personalization framework for face anonymization. Our approach leverages conditional diffusion inversion, allowing direct manipulation of images without using text prompts. To generalize beyond subjects in the model's training data, we incorporate an identity-guided conditioning branch. Unlike prior anonymization methods, which lack control over facial attributes, our framework supports attribute-controllable anonymization. We demonstrate that our method achieves a state-of-the-art balance between identity removal, attribute preservation, and image quality. Source code and data are available at https://github.com/hanweikung/reverse-personalization .

For scientific machine learning tasks with a lot of custom code, picking the right Automatic Differentiation (AD) system matters. Our Julia package DifferentiationInterface.jl provides a common frontend to a dozen AD backends, unlocking easy comparison and modular development. In particular, its built-in preparation mechanism leverages the strengths of each backend by amortizing one-time computations. This is key to enabling sophisticated features like sparsity handling without putting additional burdens on the user.

In this paper, we present RayTracer.jl, a renderer in Julia that is fully differentiable using source-to-source Automatic Differentiation (AD). This means that RayTracer not only renders 2D images from 3D scene parameters, but it can be used to optimize for model parameters that generate a target image in a Differentiable Programming (DP) pipeline. We interface our renderer with the deep learning library Flux for use in combination with neural networks. We demonstrate the use of this differentiable renderer in rendering tasks and in solving inverse graphics problems.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

Error correcting codes play a central role in digital communication, ensuring that transmitted information can be accurately reconstructed despite channel impairments. Recently, autoencoder (AE) based approaches have gained attention for the end-to-end design of communication systems, offering a data driven alternative to conventional coding schemes. However, enforcing binary codewords within differentiable AE architectures remains difficult, as discretization breaks gradient flow and often leads to unstable convergence. To overcome this limitation, a simplified two stage training procedure is proposed, consisting of a continuous pretraining phase followed by direct binarization and fine tuning without gradient approximation techniques. For the (7,4) block configuration over a binary symmetric channel (BSC), the learned encoder-decoder pair learns a rotated version (coset code) of the optimal Hamming code, naturally recovering its linear and distance properties and thereby achieving the same block error rate (BLER) with maximum likelihood (ML) decoding. These results indicate that compact AE architectures can effectively learn structured, algebraically optimal binary codes through stable and straightforward training.

This thesis introduces quantum natural language processing (QNLP) models based on a simple yet powerful analogy between computational linguistics and quantum mechanics: grammar as entanglement. The grammatical structure of text and sentences connects the meaning of words in the same way that entanglement structure connects the states of quantum systems. Category theory allows to make this language-to-qubit analogy formal: it is a monoidal functor from grammar to vector spaces. We turn this abstract analogy into a concrete algorithm that translates the grammatical structure onto the architecture of parameterised quantum circuits. We then use a hybrid classical-quantum algorithm to train the model so that evaluating the circuits computes the meaning of sentences in data-driven tasks. The implementation of QNLP models motivated the development of DisCoPy (Distributional Compositional Python), the toolkit for applied category theory of which the first chapter gives a comprehensive overview. String diagrams are the core data structure of DisCoPy, they allow to reason about computation at a high level of abstraction. We show how they can encode both grammatical structures and quantum circuits, but also logical formulae, neural networks or arbitrary Python code. Monoidal functors allow to translate these abstract diagrams into concrete computation, interfacing with optimised task-specific libraries. The second chapter uses DisCopy to implement QNLP models as parameterised functors from grammar to quantum circuits. It gives a first proof-of-concept for the more general concept of functorial learning: generalising machine learning from functions to functors by learning from diagram-like data. In order to learn optimal functor parameters via gradient descent, we introduce the notion of diagrammatic differentiation: a graphical calculus for computing the gradients of parameterised diagrams.

Flow-based generative models parameterize probability distributions through an invertible transformation and can be trained by maximum likelihood. Invertible residual networks provide a flexible family of transformations where only Lipschitz conditions rather than strict architectural constraints are needed for enforcing invertibility. However, prior work trained invertible residual networks for density estimation by relying on biased log-density estimates whose bias increased with the network's expressiveness. We give a tractable unbiased estimate of the log density using a "Russian roulette" estimator, and reduce the memory required during training by using an alternative infinite series for the gradient. Furthermore, we improve invertible residual blocks by proposing the use of activation functions that avoid derivative saturation and generalizing the Lipschitz condition to induced mixed norms. The resulting approach, called Residual Flows, achieves state-of-the-art performance on density estimation amongst flow-based models, and outperforms networks that use coupling blocks at joint generative and discriminative modeling.

Recent inversion-free, flow-based image editing methods such as FlowEdit leverages a pre-trained noise-to-image flow model such as Stable Diffusion 3, enabling text-driven manipulation by solving an ordinary differential equation (ODE). While the lack of exact latent inversion is a core advantage of these methods, it often results in unstable editing trajectories and poor source consistency. To address this limitation, we propose {\em FlowAlign}, a novel inversion-free flow-based framework for consistent image editing with optimal control-based trajectory control. Specifically, FlowAlign introduces source similarity at the terminal point as a regularization term to promote smoother and more consistent trajectories during the editing process. Notably, our terminal point regularization is shown to explicitly balance semantic alignment with the edit prompt and structural consistency with the source image along the trajectory. Furthermore, FlowAlign naturally supports reverse editing by simply reversing the ODE trajectory, highliting the reversible and consistent nature of the transformation. Extensive experiments demonstrate that FlowAlign outperforms existing methods in both source preservation and editing controllability.

Diffusion large language models (DLLMs) have the potential to enable fast text generation by decoding multiple tokens in parallel. However, in practice, their inference efficiency is constrained by the need for many refinement steps, while aggressively reducing the number of steps leads to a substantial degradation in generation quality. To alleviate this, we propose a trajectory self-distillation framework that improves few-step decoding by distilling the model's own generative trajectories. We incorporate Direct Discriminative Optimization (DDO), a reverse-KL objective that promotes mode-seeking distillation and encourages the student to concentrate on high-probability teacher modes. Across benchmarks, our approach consistently outperforms strong few-step baselines and standard training under tight step budgets. Although full-step decoding remains superior, we substantially narrow the gap, establishing a strong foundation towards practical few-step DLLMs. The source code is available at https://github.com/Tyrion58/T3D.

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

While diffusion distillation has enabled one-step generation through methods like Variational Score Distillation, adapting distilled models to emerging new controls -- such as novel structural constraints or latest user preferences -- remains challenging. Conventional approaches typically requires modifying the base diffusion model and redistilling it -- a process that is both computationally intensive and time-consuming. To address these challenges, we introduce Joint Distribution Matching (JDM), a novel approach that minimizes the reverse KL divergence between image-condition joint distributions. By deriving a tractable upper bound, JDM decouples fidelity learning from condition learning. This asymmetric distillation scheme enables our one-step student to handle controls unknown to the teacher model and facilitates improved classifier-free guidance (CFG) usage and seamless integration of human feedback learning (HFL). Experimental results demonstrate that JDM surpasses baseline methods such as multi-step ControlNet by mere one-step in most cases, while achieving state-of-the-art performance in one-step text-to-image synthesis through improved usage of CFG or HFL integration.

PDEs are central to scientific and engineering modeling, yet designing accurate numerical solvers typically requires substantial mathematical expertise and manual tuning. Recent neural network-based approaches improve flexibility but often demand high computational cost and suffer from limited interpretability. We introduce AutoNumerics, a multi-agent framework that autonomously designs, implements, debugs, and verifies numerical solvers for general PDEs directly from natural language descriptions. Unlike black-box neural solvers, our framework generates transparent solvers grounded in classical numerical analysis. We introduce a coarse-to-fine execution strategy and a residual-based self-verification mechanism. Experiments on 24 canonical and real-world PDE problems demonstrate that AutoNumerics achieves competitive or superior accuracy compared to existing neural and LLM-based baselines, and correctly selects numerical schemes based on PDE structural properties, suggesting its viability as an accessible paradigm for automated PDE solving.

Score-based diffusion models learn to reverse a stochastic differential equation that maps data to noise. However, for complex tasks, numerical error can compound and result in highly unnatural samples. Previous work mitigates this drift with thresholding, which projects to the natural data domain (such as pixel space for images) after each diffusion step, but this leads to a mismatch between the training and generative processes. To incorporate data constraints in a principled manner, we present Reflected Diffusion Models, which instead reverse a reflected stochastic differential equation evolving on the support of the data. Our approach learns the perturbed score function through a generalized score matching loss and extends key components of standard diffusion models including diffusion guidance, likelihood-based training, and ODE sampling. We also bridge the theoretical gap with thresholding: such schemes are just discretizations of reflected SDEs. On standard image benchmarks, our method is competitive with or surpasses the state of the art without architectural modifications and, for classifier-free guidance, our approach enables fast exact sampling with ODEs and produces more faithful samples under high guidance weight.

Distilled autoregressive (AR) video models enable efficient streaming generation but frequently misalign with human visual preferences. Existing reinforcement learning (RL) frameworks are not naturally suited to these architectures, typically requiring either expensive re-distillation or solver-coupled reverse-process optimization that introduces considerable memory and computational overhead. We present Astrolabe, an efficient online RL framework tailored for distilled AR models. To overcome existing bottlenecks, we introduce a forward-process RL formulation based on negative-aware fine-tuning. By contrasting positive and negative samples directly at inference endpoints, this approach establishes an implicit policy improvement direction without requiring reverse-process unrolling. To scale this alignment to long videos, we propose a streaming training scheme that generates sequences progressively via a rolling KV-cache, applying RL updates exclusively to local clip windows while conditioning on prior context to ensure long-range coherence. Finally, to mitigate reward hacking, we integrate a multi-reward objective stabilized by uncertainty-aware selective regularization and dynamic reference updates. Extensive experiments demonstrate that our method consistently enhances generation quality across multiple distilled AR video models, serving as a robust and scalable alignment solution.

Recently, various methods have been proposed to address the inconsistency issue of DDIM inversion to enable image editing, such as EDICT [36] and Null-text inversion [22]. However, the above methods introduce considerable computational overhead. In this paper, we propose a new technique, named bi-directional integration approximation (BDIA), to perform exact diffusion inversion with neglible computational overhead. Suppose we would like to estimate the next diffusion state z_{i-1} at timestep t_i with the historical information (i,z_i) and (i+1,z_{i+1}). We first obtain the estimated Gaussian noise boldsymbol{epsilon}(z_i,i), and then apply the DDIM update procedure twice for approximating the ODE integration over the next time-slot [t_i, t_{i-1}] in the forward manner and the previous time-slot [t_i, t_{t+1}] in the backward manner. The DDIM step for the previous time-slot is used to refine the integration approximation made earlier when computing z_i. A nice property of BDIA-DDIM is that the update expression for z_{i-1} is a linear combination of (z_{i+1}, z_i, boldsymbol{epsilon}(z_i,i)). This allows for exact backward computation of z_{i+1} given (z_i, z_{i-1}), thus leading to exact diffusion inversion. It is demonstrated with experiments that (round-trip) BDIA-DDIM is particularly effective for image editing. Our experiments further show that BDIA-DDIM produces markedly better image sampling qualities than DDIM for text-to-image generation. BDIA can also be applied to improve the performance of other ODE solvers in addition to DDIM. In our work, it is found that applying BDIA to the EDM sampling procedure produces consistently better performance over four pre-trained models.

Differentiable architecture search (DARTS) is successfully applied in many vision tasks. However, directly using DARTS for Transformers is memory-intensive, which renders the search process infeasible. To this end, we propose a multi-split reversible network and combine it with DARTS. Specifically, we devise a backpropagation-with-reconstruction algorithm so that we only need to store the last layer's outputs. By relieving the memory burden for DARTS, it allows us to search with larger hidden size and more candidate operations. We evaluate the searched architecture on three sequence-to-sequence datasets, i.e., WMT'14 English-German, WMT'14 English-French, and WMT'14 English-Czech. Experimental results show that our network consistently outperforms standard Transformers across the tasks. Moreover, our method compares favorably with big-size Evolved Transformers, reducing search computation by an order of magnitude.

Despite rapid advancements in the research and deployment of large language models (LLMs), the statistical distribution of model parameters, as well as their influence on initialization, training dynamics, and downstream efficiency, has received surprisingly little attention. A recent work introduced BackSlash, a training-time compression algorithm. It first demonstrated that pre-trained LLM parameters follow generalized Gaussian distributions (GGDs) better. By optimizing GG priors during training, BackSlash can reduce parameters by up to 90\% with minimal performance loss. Building on this foundational insight, we propose a unified, end-to-end framework for LLM optimization based on the GG model. Our contributions are threefold: (1) GG-based initialization scheme that aligns with the statistical structure of trained models, resulting in faster convergence and improved accuracy; (2) DeepShape, a post-training regularization method that reshapes weight distributions to match a GG profile, improving compressibility with minimized degradation in performance; and (3) RF8, a compact and hardware-efficient 8-bit floating-point format designed for GG-distributed-initialized BackSlash training, enabling low-cost inference without compromising accuracy. Experiments across diverse model architectures show that our framework consistently yields smaller and faster models that match or outperform standard training baselines. By grounding LLM development in principled statistical modeling, this work forges a new path toward efficient, scalable, and hardware-aware AI systems. The code is available on our project page: https://huggingface.co/spaces/shifeng3711/gg_prior.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

How do diffusion generative models convert pure noise into meaningful images? In a variety of pretrained diffusion models (including conditional latent space models like Stable Diffusion), we observe that the reverse diffusion process that underlies image generation has the following properties: (i) individual trajectories tend to be low-dimensional and resemble 2D `rotations'; (ii) high-variance scene features like layout tend to emerge earlier, while low-variance details tend to emerge later; and (iii) early perturbations tend to have a greater impact on image content than later perturbations. To understand these phenomena, we derive and study a closed-form solution to the probability flow ODE for a Gaussian distribution, which shows that the reverse diffusion state rotates towards a gradually-specified target on the image manifold. It also shows that generation involves first committing to an outline, and then to finer and finer details. We find that this solution accurately describes the initial phase of image generation for pretrained models, and can in principle be used to make image generation more efficient by skipping reverse diffusion steps. Finally, we use our solution to characterize the image manifold in Stable Diffusion. Our viewpoint reveals an unexpected similarity between generation by GANs and diffusion and provides a conceptual link between diffusion and image retrieval.

Irregular multivariate time series impose a trade-off for long-horizon forecasting: discrete methods can distort temporal structure via re-gridding, while continuous-time models often require sequential solvers prone to drift. To bridge this gap, we present Latent Laplace Diffusion (LLapDiff), a generative framework that models the target as a low-dimensional latent trajectory, enabling horizon-wide generation without step-by-step integration over physical time. We guide the reverse process utilizing a stable modal parameterization motivated by stochastic port-Hamiltonian dynamics, and parameterize its mean evolution in the Laplace domain via learnable complex-conjugate poles, enabling direct evaluation over irregular timestamps. We also link continuous dynamics to irregular observations through renewal-averaging analysis, which maps sampling gaps to effective event-domain poles and motivates a gap-aware history summarizer. Extensive experiments show that LLapDiff improves over baselines in long-horizon forecasting, and its continuous-time generative nature supports missing-value imputation by querying the same model at historical timestamps. Code is available at https://github.com/pixelhero98/LLapDiffusion.

Textual Inversion (TI) is an efficient approach to text-to-image personalization but often fails on complex prompts. We trace these failures to embedding norm inflation: learned tokens drift to out-of-distribution magnitudes, degrading prompt conditioning in pre-norm Transformers. Empirically, we show semantics are primarily encoded by direction in CLIP token space, while inflated norms harm contextualization; theoretically, we analyze how large magnitudes attenuate positional information and hinder residual updates in pre-norm blocks. We propose Directional Textual Inversion (DTI), which fixes the embedding magnitude to an in-distribution scale and optimizes only direction on the unit hypersphere via Riemannian SGD. We cast direction learning as MAP with a von Mises-Fisher prior, yielding a constant-direction prior gradient that is simple and efficient to incorporate. Across personalization tasks, DTI improves text fidelity over TI and TI-variants while maintaining subject similarity. Crucially, DTI's hyperspherical parameterization enables smooth, semantically coherent interpolation between learned concepts (slerp), a capability that is absent in standard TI. Our findings suggest that direction-only optimization is a robust and scalable path for prompt-faithful personalization.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

In this paper, we propose R^3: Learning Reasoning through Reverse Curriculum Reinforcement Learning (RL), a novel method that employs only outcome supervision to achieve the benefits of process supervision for large language models. The core challenge in applying RL to complex reasoning is to identify a sequence of actions that result in positive rewards and provide appropriate supervision for optimization. Outcome supervision provides sparse rewards for final results without identifying error locations, whereas process supervision offers step-wise rewards but requires extensive manual annotation. R^3 overcomes these limitations by learning from correct demonstrations. Specifically, R^3 progressively slides the start state of reasoning from a demonstration's end to its beginning, facilitating easier model exploration at all stages. Thus, R^3 establishes a step-wise curriculum, allowing outcome supervision to offer step-level signals and precisely pinpoint errors. Using Llama2-7B, our method surpasses RL baseline on eight reasoning tasks by 4.1 points on average. Notebaly, in program-based reasoning on GSM8K, it exceeds the baseline by 4.2 points across three backbone models, and without any extra data, Codellama-7B + R^3 performs comparable to larger models or closed-source models.

The ever-growing scale of deep learning models and training data underscores the critical importance of efficient optimization methods. While preconditioned gradient methods such as Adam and AdamW are the de facto optimizers for training neural networks and large language models, structure-aware preconditioned optimizers like Shampoo and Muon, which utilize the matrix structure of gradients, have demonstrated promising evidence of faster convergence. In this paper, we introduce a unifying framework for analyzing "matrix-aware" preconditioned methods, which not only sheds light on the effectiveness of Muon and related optimizers but also leads to a class of new structure-aware preconditioned methods. A key contribution of this framework is its precise distinction between preconditioning strategies that treat neural network weights as vectors (addressing curvature anisotropy) versus those that consider their matrix structure (addressing gradient anisotropy). This perspective provides new insights into several empirical phenomena in language model pre-training, including Adam's training instabilities, Muon's accelerated convergence, and the necessity of learning rate warmup for Adam. Building upon this framework, we introduce PolarGrad, a new class of preconditioned optimization methods based on the polar decomposition of matrix-valued gradients. As a special instance, PolarGrad includes Muon with updates scaled by the nuclear norm of the gradients. We provide numerical implementations of these methods, leveraging efficient numerical polar decomposition algorithms for enhanced convergence. Our extensive evaluations across diverse matrix optimization problems and language model pre-training tasks demonstrate that PolarGrad outperforms both Adam and Muon.

We present Neural Spectral Methods, a technique to solve parametric Partial Differential Equations (PDEs), grounded in classical spectral methods. Our method uses orthogonal bases to learn PDE solutions as mappings between spectral coefficients. In contrast to current machine learning approaches which enforce PDE constraints by minimizing the numerical quadrature of the residuals in the spatiotemporal domain, we leverage Parseval's identity and introduce a new training strategy through a spectral loss. Our spectral loss enables more efficient differentiation through the neural network, and substantially reduces training complexity. At inference time, the computational cost of our method remains constant, regardless of the spatiotemporal resolution of the domain. Our experimental results demonstrate that our method significantly outperforms previous machine learning approaches in terms of speed and accuracy by one to two orders of magnitude on multiple different problems. When compared to numerical solvers of the same accuracy, our method demonstrates a 10times increase in performance speed.

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new samples from this space. This characteristic creates an intrinsic synergy between representation learning and data generation. However, the generative quality of standard NFs is limited by poor semantic representations from log-likelihood optimization. To remedy this, we propose a novel alignment strategy that creatively leverages the invertibility of NFs: instead of regularizing the forward pass, we align the intermediate features of the generative (reverse) pass with representations from a powerful vision foundation model, demonstrating superior effectiveness over naive alignment. We also introduce a novel training-free, test-time optimization algorithm for classification, which provides a more intrinsic evaluation of the NF's embedded semantic knowledge. Comprehensive experiments demonstrate that our approach accelerates the training of NFs by over 3.3times, while simultaneously delivering significant improvements in both generative quality and classification accuracy. New state-of-the-art results for NFs are established on ImageNet 64times64 and 256times256. Our code is available at https://github.com/MCG-NJU/FlowBack.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73times (1.46times on average) on an A100 GPU and up to 2.68times (1.51times) on a V100 GPU, respectively.

Many machine learning methods operate by inverting a neural network at inference time, which has become a popular technique for solving inverse problems in computer vision, robotics, and graphics. However, these methods often involve gradient descent through a highly non-convex loss landscape, causing the optimization process to be unstable and slow. We introduce a method that learns a loss landscape where gradient descent is efficient, bringing massive improvement and acceleration to the inversion process. We demonstrate this advantage on a number of methods for both generative and discriminative tasks, including GAN inversion, adversarial defense, and 3D human pose reconstruction.

In this paper, we introduce an SE(3) diffusion model-based point cloud registration framework for 6D object pose estimation in real-world scenarios. Our approach formulates the 3D registration task as a denoising diffusion process, which progressively refines the pose of the source point cloud to obtain a precise alignment with the model point cloud. Training our framework involves two operations: An SE(3) diffusion process and an SE(3) reverse process. The SE(3) diffusion process gradually perturbs the optimal rigid transformation of a pair of point clouds by continuously injecting noise (perturbation transformation). By contrast, the SE(3) reverse process focuses on learning a denoising network that refines the noisy transformation step-by-step, bringing it closer to the optimal transformation for accurate pose estimation. Unlike standard diffusion models used in linear Euclidean spaces, our diffusion model operates on the SE(3) manifold. This requires exploiting the linear Lie algebra se(3) associated with SE(3) to constrain the transformation transitions during the diffusion and reverse processes. Additionally, to effectively train our denoising network, we derive a registration-specific variational lower bound as the optimization objective for model learning. Furthermore, we show that our denoising network can be constructed with a surrogate registration model, making our approach applicable to different deep registration networks. Extensive experiments demonstrate that our diffusion registration framework presents outstanding pose estimation performance on the real-world TUD-L, LINEMOD, and Occluded-LINEMOD datasets.

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].

Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising 5,560 formally verified problems spanning from high-school Olympiad challenges to undergraduate-level theorems across diverse domains (e.g., algebra, applied mathematics, calculus, number theory, and discrete mathematics). To mitigate the inefficiency of manual formalization, we introduce a novel human-in-the-loop autoformalization pipeline that integrates: (1) specialized large language models (LLMs) for statement autoformalization, (2) multi-LLM semantic verification, and (3) negation-based disproof filtering strategies using off-the-shelf LLM-based provers. This approach reduces expert annotation costs by retaining 72.09% of statements before manual verification while ensuring fidelity to the original natural-language problems. Our evaluation of state-of-the-art LLM-based theorem provers reveals significant limitations: even the strongest models achieve only 16.46% success rate under practical sampling budgets, exhibiting pronounced domain bias (e.g., excelling in algebra but failing in calculus) and over-reliance on simplified automation tactics. Notably, we identify a counterintuitive inverse relationship between natural-language solution guidance and proof success in chain-of-thought reasoning scenarios, suggesting that human-written informal reasoning introduces noise rather than clarity in the formal reasoning settings. We believe that FormalMATH provides a robust benchmark for benchmarking formal mathematical reasoning.

Diffusion language models enable parallel token generation through block-wise decoding, but their irreversible commitments can lead to stagnation, where the reverse diffusion process fails to make further progress under a suboptimal context.We propose Reversible Diffusion Decoding (RDD), a decoding framework that introduces reversibility into block-wise diffusion generation. RDD detects stagnation as a state-dependent failure of the reverse process and enables efficient backtracking to earlier blocks without recomputation via cached model states. To avoid repeated failure trajectories, RDD applies confidence-guided re-masking to selectively reinitialize uncertain tokens while preserving reliable context.This reversible formulation allows decoding to recover from early commitment errors while maintaining the parallel efficiency of diffusion-based generation. Experiments show that RDD improves generation robustness and quality over baselines with minimal computational overhead.

The scientific computation methods development in conjunction with artificial intelligence technologies remains a hot research topic. Finding a balance between lightweight and accurate computations is a solid foundation for this direction. The study presents a neural operator based on the dynamic mode decomposition algorithm (DMD), mapping functional spaces, which combines DMD and deep learning (DL) for spatiotemporal processes efficient modeling. Solving PDEs for various initial and boundary conditions requires significant computational resources. The method suggested automatically extracts key modes and system dynamics using them to construct predictions, reducing computational costs compared to traditional numerical methods. The approach has demonstrated its efficiency through comparative analysis of performance with closest analogues DeepONet and FNO in the heat equation, Laplaces equation, and Burgers equation solutions approximation, where it achieves high reconstruction accuracy.

Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts/ identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset.

Text-driven speech style transfer aims to mold the intonation, pace, and timbre of a spoken utterance to match stylistic cues from text descriptions. While existing methods leverage large-scale neural architectures or pre-trained language models, the computational costs often remain high. In this paper, we present ReverBERT, an efficient framework for text-driven speech style transfer that draws inspiration from a state space model (SSM) paradigm, loosely motivated by the image-based method of Wang and Liu~wang2024stylemamba. Unlike image domain techniques, our method operates in the speech space and integrates a discrete Fourier transform of latent speech features to enable smooth and continuous style modulation. We also propose a novel Transformer-based SSM layer for bridging textual style descriptors with acoustic attributes, dramatically reducing inference time while preserving high-quality speech characteristics. Extensive experiments on benchmark speech corpora demonstrate that ReverBERT significantly outperforms baselines in terms of naturalness, expressiveness, and computational efficiency. We release our model and code publicly to foster further research in text-driven speech style transfer.