Daily Papers

Differentiable matching layers and residual connection paradigms, often implemented via entropy-regularized Optimal Transport (OT), serve as critical mechanisms in structural prediction and architectural scaling. However, recovering discrete permutations or maintaining identity mappings via annealing εto 0 is notoriously unstable. In this work, we identify a fundamental mechanism for this failure: Premature Mode Collapse. By analyzing the non-normal dynamics of the Sinkhorn fixed-point map, we reveal a theoretical thermodynamic speed limit: standard exponential cooling outpaces the contraction rate of the inference operator, which degrades as O(1/ε). To address this, we propose Efficient Piecewise Hybrid Adaptive Stability Control (EPH-ASC), an adaptive scheduling algorithm that monitors the stability of the inference process. We demonstrate that EPH-ASC is essential for stabilizing Manifold-Constrained Hyper-Connections (mHC) during large-scale training on the FineWeb-Edu dataset, effectively preventing late-stage gradient explosions by enforcing a linear stability law.

Reinforcement learning (RL) has recently become the core paradigm for aligning and strengthening large language models (LLMs). Yet, applying RL in off-policy settings--where stale data from past policies are used for training--improves sample efficiency, but remains challenging: policy entropy declines sharply, optimization often becomes unstable and may even collapse. Through theoretical and empirical analysis, we identify two key insights: (i) an imbalance in optimization, where negative-advantage samples dominate the policy gradient, suppressing useful behaviors and risking gradient explosions; and (ii) the derived Entropy-Clip Rule, which reveals that the fixed clipping mechanism in PPO-like objectives systematically blocks entropy-increasing updates, thereby driving the policy toward over-exploitation at the expense of exploration. Building on these insights, we propose BAlanced Policy Optimization with Adaptive Clipping (BAPO), a simple yet effective method that dynamically adjusts clipping bounds to adaptively re-balance positive and negative contributions, preserve entropy, and stabilize RL optimization. Across diverse off-policy scenarios--including sample replay and partial rollout--BAPO achieves fast, stable, and data-efficient training. On AIME 2024 and AIME 2025 benchmarks, our 7B BAPO model surpasses open-source counterparts such as SkyWork-OR1-7B, while our 32B BAPO model not only achieves state-of-the-art results among models of the same scale but also outperforms leading proprietary systems like o3-mini and Gemini-2.5-Flash-Thinking.

Large Language Models (LLMs) can significantly improve their reasoning capabilities by interacting with external tools, a paradigm known as Tool-Integrated Reasoning (TIR). However, extending TIR to multi-turn scenarios using Reinforcement Learning (RL) is often hindered by training instability and performance collapse. We identify that such instability is primarily caused by a distributional drift from external tool feedback, leading to the generation of low-probability tokens. This issue compounds over successive turns, causing catastrophic gradient norm explosions that derail the training process. To address this challenge, we introduce SimpleTIR , a plug-and-play algorithm that stabilizes multi-turn TIR training. Its core strategy is to identify and filter out trajectories containing void turns, i.e., turns that yield neither a code block nor a final answer. By removing these problematic trajectories from the policy update, SimpleTIR effectively blocks the harmful, high-magnitude gradients, thus stabilizing the learning dynamics. Extensive experiments show that SimpleTIR achieves state-of-the-art performance on challenging math reasoning benchmarks, notably elevating the AIME24 score from a text-only baseline of 22.1 to 50.5 when starting from the Qwen2.5-7B base model. Furthermore, by avoiding the constraints of supervised fine-tuning, SimpleTIR encourages the model to discover diverse and sophisticated reasoning patterns, such as self-correction and cross-validation.

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

The evolution of Large Language Models (LLMs) has catalyzed a paradigm shift from superficial instruction following to rigorous long-horizon reasoning. While Group Relative Policy Optimization (GRPO) has emerged as a pivotal mechanism for eliciting such post-training reasoning capabilities due to its exceptional performance, it remains plagued by significant training instability and poor sample efficiency. We theoretically identify the root cause of these issues as the lack of distinctiveness within on-policy rollouts: for routine queries, highly homogeneous samples induce destructive gradient conflicts; whereas for hard queries, the scarcity of valid positive samples results in ineffective optimization. To bridge this gap, we propose Distinctiveness-aware Group Relative Policy Optimization (DaGRPO). DaGRPO incorporates two core mechanisms: (1) Sequence-level Gradient Rectification, which utilizes fine-grained scoring to dynamically mask sample pairs with low distinctiveness, thereby eradicating gradient conflicts at the source; and (2) Off-policy Data Augmentation, which introduces high-quality anchors to recover training signals for challenging tasks. Extensive experiments across 9 mathematical reasoning and out-of-distribution (OOD) generalization benchmarks demonstrate that DaGRPO significantly surpasses existing SFT, GRPO, and hybrid baselines, achieving new state-of-the-art performance (e.g., a +4.7% average accuracy gain on math benchmarks). Furthermore, in-depth analysis confirms that DaGRPO effectively mitigates gradient explosion and accelerates the emergence of long-chain reasoning capabilities.

MeanFlow (MF) is a diffusion-motivated generative model that enables efficient few-step generation by learning long jumps directly from noise to data. In practice, it is often used as a latent MF by leveraging the pre-trained Stable Diffusion variational autoencoder (SD-VAE) for high-dimensional data modeling. However, MF training remains computationally demanding and is often unstable. During inference, the SD-VAE decoder dominates the generation cost, and MF depends on complex guidance hyperparameters for class-conditional generation. In this work, we develop an efficient training and sampling scheme for MF in the latent space of a Representation Autoencoder (RAE), where a pre-trained vision encoder (e.g., DINO) provides semantically rich latents paired with a lightweight decoder. We observe that naive MF training in the RAE latent space suffers from severe gradient explosion. To stabilize and accelerate training, we adopt Consistency Mid-Training for trajectory-aware initialization and use a two-stage scheme: distillation from a pre-trained flow matching teacher to speed convergence and reduce variance, followed by an optional bootstrapping stage with a one-point velocity estimator to further reduce deviation from the oracle mean flow. This design removes the need for guidance, simplifies training configurations, and reduces computation in both training and sampling. Empirically, our method achieves a 1-step FID of 2.03, outperforming vanilla MF's 3.43, while reducing sampling GFLOPS by 38% and total training cost by 83% on ImageNet 256. We further scale our approach to ImageNet 512, achieving a competitive 1-step FID of 3.23 with the lowest GFLOPS among all baselines. Code is available at https://github.com/sony/mf-rae.

Backpropagation-based approaches aim to align diffusion models with reward functions through end-to-end backpropagation of the reward gradient within the denoising chain, offering a promising perspective. However, due to the computational costs and the risk of gradient explosion associated with the lengthy denoising chain, existing approaches struggle to achieve complete gradient backpropagation, leading to suboptimal results. In this paper, we introduce Shortcut-based Fine-Tuning (ShortFT), an efficient fine-tuning strategy that utilizes the shorter denoising chain. More specifically, we employ the recently researched trajectory-preserving few-step diffusion model, which enables a shortcut over the original denoising chain, and construct a shortcut-based denoising chain of shorter length. The optimization on this chain notably enhances the efficiency and effectiveness of fine-tuning the foundational model. Our method has been rigorously tested and can be effectively applied to various reward functions, significantly improving alignment performance and surpassing state-of-the-art alternatives.

Deep ResNet architectures have achieved state of the art performance on many tasks. While they solve the problem of gradient vanishing, they might suffer from gradient exploding as the depth becomes large (Yang et al. 2017). Moreover, recent results have shown that ResNet might lose expressivity as the depth goes to infinity (Yang et al. 2017, Hayou et al. 2019). To resolve these issues, we introduce a new class of ResNet architectures, called Stable ResNet, that have the property of stabilizing the gradient while ensuring expressivity in the infinite depth limit.

Tool-integrated (TI) reinforcement learning (RL) enables large language models (LLMs) to perform multi-step reasoning by interacting with external tools such as search engines and retrievers. Group Relative Policy Optimization (GRPO), exemplified by the recent Search-R1, offers fast convergence and a value-free formulation that makes it appealing for this setting, yet consistently suffers from training collapse. We identify Lazy Likelihood Displacement (LLD), a systematic reduction or stagnation in the likelihood of both correct and incorrect responses, as the core mechanism driving this failure. LLD emerges early and triggers a self-reinforcing LLD Death Spiral, where declining likelihood leads to low-confidence responses, inflating gradients, and ultimately causing collapse. We empirically characterize this process across models on a Search-R1-style, search-integrated question answering task, revealing a consistent three-phase trajectory: early stagnation, steady decay, and accelerated collapse. To address this, we propose a lightweight likelihood-preserving regularization LLDS for GRPO that activates only when a trajectory's likelihood decreases, and regularizes only the tokens responsible. This fine-grained structure mitigates LLD with minimal interference to optimization. Across seven open-domain and multi-hop QA benchmarks, our method stabilizes training, prevents gradient explosion, and yields substantial performance improvements, including +37.8% gains on Qwen2.5-3B and +32.0% gains on Qwen2.5-7B. Our results establish LLD as a fundamental bottleneck in GRPO-based TIRL and provide a practical path toward stable, scalable training of tool-integrated LLM.

Training stability is a persistent challenge in the pre-training of large language models (LLMs), particularly for architectures such as Post-Norm Transformers, which are prone to gradient explosion and dissipation. In this paper, we propose Scale-Distribution Decoupling (SDD), a novel approach that stabilizes training by explicitly decoupling the scale and distribution of the weight matrix in fully-connected layers. SDD applies a normalization mechanism to regulate activations and a learnable scaling vector to maintain well-conditioned gradients, effectively preventing gradient explosion and dissipation. This separation improves optimization efficiency, particularly in deep networks, by ensuring stable gradient propagation. Experimental results demonstrate that our method stabilizes training across various LLM architectures and outperforms existing techniques in different normalization configurations. Furthermore, the proposed method is lightweight and compatible with existing frameworks, making it a practical solution for stabilizing LLM training. Code is available at https://github.com/kaihemo/SDD.

Despite their immense success, deep convolutional neural networks (CNNs) can be difficult to optimize and costly to train due to hundreds of layers within the network depth. Conventional convolutional operations are fundamentally limited by their linear nature along with fixed activations, where many layers are needed to learn meaningful patterns in data. Because of the sheer size of these networks, this approach is simply computationally inefficient, and poses overfitting or gradient explosion risks, especially in small datasets. As a result, we introduce a "plug-in" module, called Residual Kolmogorov-Arnold Network (RKAN). Our module is highly compact, so it can be easily added into any stage (level) of traditional deep networks, where it learns to integrate supportive polynomial feature transformations to existing convolutional frameworks. RKAN offers consistent improvements over baseline models in different vision tasks and widely tested benchmarks, accomplishing cutting-edge performance on them.

We present a comprehensive theoretical and empirical study of the Muon optimizer for training transformers only with a small to medium decoder (30M - 200M parameters), with an emphasis on its mathematical foundations, convergence properties and synergistic interactions with modern architectural optimizations. Building on recent work showing Muon's scalability, we provide rigorous theoretical analysis including: (i)showing the convergence rate under standard assumptions, (ii) spectral regularization properties that prevent gradient explosion, (iii) connection to natural gradient descent on the Stiefel manifold, and (iv) equivalence to steepest gradient descent under the spectral norm. Crucially, we demonstrate that Muon expands the Pareto frontier in the compute-time trade-off by maintaining superior data efficiency at large batch sizes, a key finding of~essentialai2025muon that we validate across our model scales. Empirically, Muon reaches the target loss with 48-52\% of the training calculated by AdamW while maintaining or improving the final perplexity, consistent with larger-scale results. When combined with Multi-Head Latent Attention (MLA) and Mixture-of-Experts (MoE), we observe multiplicative efficiency gains: MLA+MoE+Muon achieves 68\% memory reduction and 3.2times inference speedup, while improving perplexity by 8-12\%. We provide detailed procedures on 15 architectural and optimizer components, stability analyzes across 100+ training runs, and practical implementation guidelines including Newton-Schulz coefficients (3.4445, -4.7750, 2.0315) optimized by~su2024muonblog. Our theoretical analysis and comprehensive experiments establish Muon as a principled, robust alternative to AdamW that particularly excels when combined with modern efficiency techniques and large-batch training regimes.

Due to the recurrent structure of RNN, the long information propagation path poses limitations in capturing long-term dependencies, gradient explosion/vanishing issues, and inefficient sequential execution. Based on this, we propose a novel paradigm called Parallel Gated Network (PGN) as the new successor to RNN. PGN directly captures information from previous time steps through the designed Historical Information Extraction (HIE) layer and leverages gated mechanisms to select and fuse it with the current time step information. This reduces the information propagation path to O(1), effectively addressing the limitations of RNN. To enhance PGN's performance in long-range time series forecasting tasks, we propose a novel temporal modeling framework called Temporal PGN (TPGN). TPGN incorporates two branches to comprehensively capture the semantic information of time series. One branch utilizes PGN to capture long-term periodic patterns while preserving their local characteristics. The other branch employs patches to capture short-term information and aggregate the global representation of the series. TPGN achieves a theoretical complexity of O(L), ensuring efficiency in its operations. Experimental results on five benchmark datasets demonstrate the state-of-the-art (SOTA) performance and high efficiency of TPGN, further confirming the effectiveness of PGN as the new successor to RNN in long-range time series forecasting. The code is available in this repository: https://github.com/Water2sea/TPGN.

Stable pre-training is essential for achieving better-performing language models. However, tracking pre-training stability by calculating gradient variance at every step is impractical due to the significant computational costs. We explore Token Embedding Variability (TEV) as a simple and efficient proxy for assessing pre-training stability in language models with pre-layer normalization, given that shallower layers are more prone to gradient explosion (section 2.2). Moreover, we propose Multi-head Low-Rank Attention (MLRA) as an architecture to alleviate such instability by limiting the exponential growth of output embedding variance, thereby preventing the gradient explosion (section 3.2). Empirical results on GPT-2 with MLRA demonstrate increased stability and lower perplexity, particularly in deeper models.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

There are two widely known issues with properly training Recurrent Neural Networks, the vanishing and the exploding gradient problems detailed in Bengio et al. (1994). In this paper we attempt to improve the understanding of the underlying issues by exploring these problems from an analytical, a geometric and a dynamical systems perspective. Our analysis is used to justify a simple yet effective solution. We propose a gradient norm clipping strategy to deal with exploding gradients and a soft constraint for the vanishing gradients problem. We validate empirically our hypothesis and proposed solutions in the experimental section.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Loss spikes often occur during pre-training of large language models. The spikes degrade the performance of large language models and sometimes ruin the pre-training. Since the pre-training needs a vast computational budget, we should avoid such spikes. To investigate the cause of loss spikes, we focus on gradients of internal layers. Through theoretical analyses, we reveal two causes of the exploding gradients, and provide requirements to prevent the explosion. In addition, we propose a method to satisfy the requirements by combining the initialization method and a simple modification to embeddings. We conduct various experiments to verify our theoretical analyses empirically. Experimental results indicate that the combination is effective in preventing spikes during pre-training.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

A major challenge in training large-scale machine learning models is configuring the training process to maximize model performance, i.e., finding the best training setup from a vast design space. In this work, we unlock a gradient-based approach to this problem. We first introduce an algorithm for efficiently calculating metagradients -- gradients through model training -- at scale. We then introduce a "smooth model training" framework that enables effective optimization using metagradients. With metagradient descent (MGD), we greatly improve on existing dataset selection methods, outperform accuracy-degrading data poisoning attacks by an order of magnitude, and automatically find competitive learning rate schedules.

We present the first simulations of core-collapse supernovae in axial symmetry with feedback from fast neutrino flavor conversion (FFC). Our schematic treatment of FFCs assumes instantaneous flavor equilibration under the constraint of lepton-number conservation individually for each flavor. Systematically varying the spatial domain where FFCs are assumed to occur, we find that they facilitate SN explosions in low-mass (9-12 solar masses) progenitors that otherwise explode with longer time delays, whereas FFCs weaken the tendency to explode of higher-mass (around 20 solar masses) progenitors.

We propose Pulsar, an efficient sphere-based differentiable renderer that is orders of magnitude faster than competing techniques, modular, and easy-to-use due to its tight integration with PyTorch. Differentiable rendering is the foundation for modern neural rendering approaches, since it enables end-to-end training of 3D scene representations from image observations. However, gradient-based optimization of neural mesh, voxel, or function representations suffers from multiple challenges, i.e., topological inconsistencies, high memory footprints, or slow rendering speeds. To alleviate these problems, Pulsar employs: 1) a sphere-based scene representation, 2) an efficient differentiable rendering engine, and 3) neural shading. Pulsar executes orders of magnitude faster than existing techniques and allows real-time rendering and optimization of representations with millions of spheres. Using spheres for the scene representation, unprecedented speed is obtained while avoiding topology problems. Pulsar is fully differentiable and thus enables a plethora of applications, ranging from 3D reconstruction to general neural rendering.

How momentum, energy, and magnetic fields are transported in the presence of macroscopic gradients is a fundamental question in plasma physics. Answering this question is especially challenging for weakly collisional, magnetized plasmas, where macroscopic gradients influence the plasma's microphysical structure. In this paper, we introduce thermodynamic forcing, a new method for systematically modeling how macroscopic gradients in magnetized or unmagnetized plasmas shape the distribution functions of constituent particles. In this method, we propose to apply an anomalous force to those particles inducing the anisotropy that would naturally emerge due to macroscopic gradients in weakly collisional plasmas. We implement thermodynamic forcing in particle-in-cell (TF-PIC) simulations using a modified Vay particle pusher and validate it against analytic solutions of the equations of motion. We then carry out a series of simulations of electron-proton plasmas with periodic boundary conditions using TF-PIC. First, we confirm that the properties of two electron-scale kinetic instabilities -- one driven by a temperature gradient and the other by pressure anisotropy -- are consistent with previous results. Then, we demonstrate that in the presence of multiple macroscopic gradients, the saturated state can differ significantly from current expectations. This work enables, for the first time, systematic and self-consistent transport modeling in weakly collisional plasmas, with broad applications in astrophysics, laser-plasma physics, and inertial confinement fusion.

Loss explosions in training deep neural networks can nullify multi-million dollar training runs. Conventional monitoring metrics like weight and gradient norms are often lagging and ambiguous predictors, as their values vary dramatically across different models and even between layers of the same model, making it difficult to establish a unified standard for detecting impending failure. We introduce Spectral Alignment (SA), a novel, theoretically-grounded metric that monitors the distributional alignment between layer inputs and the principal singular vectors of weight matrices. We show that a collapse in the sign diversity of this alignment is a powerful early predictor of representational collapse and training divergence. Empirical results on language models demonstrate that monitoring the SA distribution provides a significantly earlier and clearer warning of loss explosions than traditional scalar metrics. SA's low computational overhead makes it a practical tool for safeguarding model training.

Large Language Models (LLMs) have shown impressive performance as general purpose agents, but their abilities remain highly dependent on prompts which are hand written with onerous trial-and-error effort. We propose a simple and nonparametric solution to this problem, Automatic Prompt Optimization (APO), which is inspired by numerical gradient descent to automatically improve prompts, assuming access to training data and an LLM API. The algorithm uses minibatches of data to form natural language ``gradients'' that criticize the current prompt. The gradients are then ``propagated'' into the prompt by editing the prompt in the opposite semantic direction of the gradient. These gradient descent steps are guided by a beam search and bandit selection procedure which significantly improves algorithmic efficiency. Preliminary results across three benchmark NLP tasks and the novel problem of LLM jailbreak detection suggest that Automatic Prompt Optimization can outperform prior prompt editing techniques and improve an initial prompt's performance by up to 31\%, by using data to rewrite vague task descriptions into more precise annotation instructions.

Gradient descent is the method of choice for training large artificial intelligence systems. As these systems become larger, a better understanding of the mechanisms behind gradient training would allow us to alleviate compute costs and help steer these systems away from harmful behaviors. To that end, we suggest utilizing the circuit perspective brought forward by mechanistic interpretability. After laying out our intuition, we illustrate how it enables us to design a curriculum for efficient learning in a controlled setting. The code is available at https://github.com/facebookresearch/pal.

We show that in a variety of large-scale deep learning scenarios the gradient dynamically converges to a very small subspace after a short period of training. The subspace is spanned by a few top eigenvectors of the Hessian (equal to the number of classes in the dataset), and is mostly preserved over long periods of training. A simple argument then suggests that gradient descent may happen mostly in this subspace. We give an example of this effect in a solvable model of classification, and we comment on possible implications for optimization and learning.

We propose an adaptive step size with an energy approach for a suitable class of preconditioned gradient descent methods. We focus on settings where the preconditioning is applied to address the constraints in optimization problems, such as the Hessian-Riemannian and natural gradient descent methods. More specifically, we incorporate these preconditioned gradient descent algorithms in the recently introduced Adaptive Energy Gradient Descent (AEGD) framework. In particular, we discuss theoretical results on the unconditional energy-stability and convergence rates across three classes of objective functions. Furthermore, our numerical results demonstrate excellent performance of the proposed method on several test bed optimization problems.

Binarization of neural networks is a dominant paradigm in neural networks compression. The pioneering work BinaryConnect uses Straight Through Estimator (STE) to mimic the gradients of the sign function, but it also causes the crucial inconsistency problem. Most of the previous methods design different estimators instead of STE to mitigate it. However, they ignore the fact that when reducing the estimating error, the gradient stability will decrease concomitantly. These highly divergent gradients will harm the model training and increase the risk of gradient vanishing and gradient exploding. To fully take the gradient stability into consideration, we present a new perspective to the BNNs training, regarding it as the equilibrium between the estimating error and the gradient stability. In this view, we firstly design two indicators to quantitatively demonstrate the equilibrium phenomenon. In addition, in order to balance the estimating error and the gradient stability well, we revise the original straight through estimator and propose a power function based estimator, Rectified Straight Through Estimator (ReSTE for short). Comparing to other estimators, ReSTE is rational and capable of flexibly balancing the estimating error with the gradient stability. Extensive experiments on CIFAR-10 and ImageNet datasets show that ReSTE has excellent performance and surpasses the state-of-the-art methods without any auxiliary modules or losses.

We study a version of adversarial classification where an adversary is empowered to corrupt data inputs up to some distance varepsilon, using tools from variational analysis. In particular, we describe necessary conditions associated with the optimal classifier subject to such an adversary. Using the necessary conditions, we derive a geometric evolution equation which can be used to track the change in classification boundaries as varepsilon varies. This evolution equation may be described as an uncoupled system of differential equations in one dimension, or as a mean curvature type equation in higher dimension. In one dimension, and under mild assumptions on the data distribution, we rigorously prove that one can use the initial value problem starting from varepsilon=0, which is simply the Bayes classifier, in order to solve for the global minimizer of the adversarial problem for small values of varepsilon. In higher dimensions we provide a similar result, albeit conditional to the existence of regular solutions of the initial value problem. In the process of proving our main results we obtain a result of independent interest connecting the original adversarial problem with an optimal transport problem under no assumptions on whether classes are balanced or not. Numerical examples illustrating these ideas are also presented.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

A generative adversarial network (GAN) has been a representative backbone model in generative artificial intelligence (AI) because of its powerful performance in capturing intricate data-generating processes. However, the GAN training is well-known for its notorious training instability, usually characterized by the occurrence of mode collapse. Through the lens of gradients' variance, this work particularly analyzes the training instability and inefficiency in the presence of mode collapse by linking it to multimodality in the target distribution. To ease the raised training issues from severe multimodality, we introduce a novel GAN training framework that leverages a series of tempered distributions produced via convex interpolation. With our newly developed GAN objective function, the generator can learn all the tempered distributions simultaneously, conceptually resonating with the parallel tempering in Statistics. Our simulation studies demonstrate the superiority of our approach over existing popular training strategies in both image and tabular data synthesis. We theoretically analyze that such significant improvement can arise from reducing the variance of gradient estimates by using the tempered distributions. Finally, we further develop a variant of the proposed framework aimed at generating fair synthetic data which is one of the growing interests in the field of trustworthy AI.

Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold tau, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22times while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.

We study the momentum-based minimization of a diffuse perimeter functional on Euclidean spaces and on graphs with applications to semi-supervised classification tasks in machine learning. While the gradient flow in the task at hand is a parabolic partial differential equation, the momentum-method corresponds to a damped hyperbolic PDE, leading to qualitatively and quantitatively different trajectories. Using a convex-concave splitting-based FISTA-type time discretization, we demonstrate empirically that momentum can lead to faster convergence if the time step size is large but not too large. With large time steps, the PDE analysis offers only limited insight into the geometric behavior of solutions and typical hyperbolic phenomena like loss of regularity are not be observed in sample simulations.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

The design of fusion devices is typically based on computationally expensive simulations. This can be alleviated using high aspect ratio models that employ a reduced number of free parameters, especially in the case of stellarator optimization where non-axisymmetric magnetic fields with a large parameter space are optimized to satisfy certain performance criteria. However, optimization is still required to find configurations with properties such as low elongation, high rotational transform, finite plasma beta, and good fast particle confinement. In this work, we train a machine learning model to construct configurations with favorable confinement properties by finding a solution to the inverse design problem, that is, obtaining a set of model input parameters for given desired properties. Since the solution of the inverse problem is non-unique, a probabilistic approach, based on mixture density networks, is used. It is shown that optimized configurations can be generated reliably using this method.

Evaluating the robustness of a defense model is a challenging task in adversarial robustness research. Obfuscated gradients have previously been found to exist in many defense methods and cause a false signal of robustness. In this paper, we identify a more subtle situation called Imbalanced Gradients that can also cause overestimated adversarial robustness. The phenomenon of imbalanced gradients occurs when the gradient of one term of the margin loss dominates and pushes the attack towards to a suboptimal direction. To exploit imbalanced gradients, we formulate a Margin Decomposition (MD) attack that decomposes a margin loss into individual terms and then explores the attackability of these terms separately via a two-stage process. We also propose a multi-targeted and ensemble version of our MD attack. By investigating 24 defense models proposed since 2018, we find that 11 models are susceptible to a certain degree of imbalanced gradients and our MD attack can decrease their robustness evaluated by the best standalone baseline attack by more than 1%. We also provide an in-depth investigation on the likely causes of imbalanced gradients and effective countermeasures. Our code is available at https://github.com/HanxunH/MDAttack.

Partial differential equations (PDEs) are instrumental for modeling dynamical systems in science and engineering. The advent of neural networks has initiated a significant shift in tackling these complexities though challenges in accuracy persist, especially for initial value problems. In this paper, we introduce the Time-Evolving Natural Gradient (TENG), generalizing time-dependent variational principles and optimization-based time integration, leveraging natural gradient optimization to obtain high accuracy in neural-network-based PDE solutions. Our comprehensive development includes algorithms like TENG-Euler and its high-order variants, such as TENG-Heun, tailored for enhanced precision and efficiency. TENG's effectiveness is further validated through its performance, surpassing current leading methods and achieving machine precision in step-by-step optimizations across a spectrum of PDEs, including the heat equation, Allen-Cahn equation, and Burgers' equation.

Generative Adversarial Networks (GANs) are a popular formulation to train generative models for complex high dimensional data. The standard method for training GANs involves a gradient descent-ascent (GDA) procedure on a minimax optimization problem. This procedure is hard to analyze in general due to the nonlinear nature of the dynamics. We study the local dynamics of GDA for training a GAN with a kernel-based discriminator. This convergence analysis is based on a linearization of a non-linear dynamical system that describes the GDA iterations, under an isolated points model assumption from [Becker et al. 2022]. Our analysis brings out the effect of the learning rates, regularization, and the bandwidth of the kernel discriminator, on the local convergence rate of GDA. Importantly, we show phase transitions that indicate when the system converges, oscillates, or diverges. We also provide numerical simulations that verify our claims.

Adversarial attacks optimize against models to defeat defenses. Existing defenses are static, and stay the same once trained, even while attacks change. We argue that models should fight back, and optimize their defenses against attacks at test time. We propose dynamic defenses, to adapt the model and input during testing, by defensive entropy minimization (dent). Dent alters testing, but not training, for compatibility with existing models and train-time defenses. Dent improves the robustness of adversarially-trained defenses and nominally-trained models against white-box, black-box, and adaptive attacks on CIFAR-10/100 and ImageNet. In particular, dent boosts state-of-the-art defenses by 20+ points absolute against AutoAttack on CIFAR-10 at ε_infty = 8/255.

Training large neural network models requires extensive computational resources, often distributed across several nodes and accelerators. Recent findings suggest that it may be sufficient to only exchange the fast moving components of the gradients, while accumulating momentum locally (Decoupled Momentum, or DeMo). However, DeMo assumes that models fit on a single accelerator. We relax this assumption and introduce FlexDeMo, whereby nodes fully shard model parameters locally between different accelerators, while inter-node communication is reduced by synchronizing only fast-moving components instead of the full gradients -- resulting in a hybrid sharded data parallel training strategy. We further introduce a framework, denoted as DeToNATION, that generalizes DeMo, FlexDeMo, and other popular distributed training schemes such as DiLoCo -- introducing new variations of replication schemes and challenging choices made in DeMo. Our results across language and vision domains show that FlexDeMo attains similar validation loss as hybrid sharded data parallel training employing AdamW and full gradient synchronization, while being substantially faster. FlexDeMo is thus a promising distributed training scheme for the largest machine learning models.

In distributed computing, slower nodes (stragglers) usually become a bottleneck. Gradient Coding (GC), introduced by Tandon et al., is an efficient technique that uses principles of error-correcting codes to distribute gradient computation in the presence of stragglers. In this paper, we consider the distributed computation of a sequence of gradients {g(1),g(2),ldots,g(J)}, where processing of each gradient g(t) starts in round-t and finishes by round-(t+T). Here Tgeq 0 denotes a delay parameter. For the GC scheme, coding is only across computing nodes and this results in a solution where T=0. On the other hand, having T>0 allows for designing schemes which exploit the temporal dimension as well. In this work, we propose two schemes that demonstrate improved performance compared to GC. Our first scheme combines GC with selective repetition of previously unfinished tasks and achieves improved straggler mitigation. In our second scheme, which constitutes our main contribution, we apply GC to a subset of the tasks and repetition for the remainder of the tasks. We then multiplex these two classes of tasks across workers and rounds in an adaptive manner, based on past straggler patterns. Using theoretical analysis, we demonstrate that our second scheme achieves significant reduction in the computational load. In our experiments, we study a practical setting of concurrently training multiple neural networks over an AWS Lambda cluster involving 256 worker nodes, where our framework naturally applies. We demonstrate that the latter scheme can yield a 16\% improvement in runtime over the baseline GC scheme, in the presence of naturally occurring, non-simulated stragglers.

We investigate magnetic-field amplification driven by the nonresonant hybrid (NRH or Bell) instability and its impact on cosmic-ray (CR) acceleration at reverse shocks of ultrafast outflows (UFOs) from active galactic nuclei (AGN). Previous kinetic studies by particle-in-cell simulations have demonstrated that when maximum CR energy is near the injection scale, NRH instability efficiently amplifies magnetic field up to the saturation level. However, the efficiency of NRH instability goes down as maximum energy increase since CR current is carried by escaping CRs near the maximum energy. We employ a one-dimensional MHD--CR framework solving telegraph-type diffusion--convection equations to trace the coupled evolution of CRs, magnetic fields, and shock dynamics under realistic parameters. We find a distinct transition with magnetic field strength: for weak background fields (B_{0}!lesssim!10^{-4},G), NRH instability efficiently amplifies upstream turbulence, driving a self-regulated state where E_{max} becomes independent of initial strength of magnetic turbulence. In contrast, for stronger background fields (B_{0}!gtrsim!10^{-3},G), the escaping CR current is too weak to drive NRH instability, and magnetic turbulence further decays through parametric instabilities, potentially reducing the acceleration efficiency. We give the physical interpretation for the transition and discuss conditions for PeV--EeV acceleration at UFO reverse shocks.

In Federated Learning (FL) and many other distributed training frameworks, collaborators can hold their private data locally and only share the network weights trained with the local data after multiple iterations. Gradient inversion is a family of privacy attacks that recovers data from its generated gradients. Seemingly, FL can provide a degree of protection against gradient inversion attacks on weight updates, since the gradient of a single step is concealed by the accumulation of gradients over multiple local iterations. In this work, we propose a principled way to extend gradient inversion attacks to weight updates in FL, thereby better exposing weaknesses in the presumed privacy protection inherent in FL. In particular, we propose a surrogate model method based on the characteristic of two-dimensional gradient flow and low-rank property of local updates. Our method largely boosts the ability of gradient inversion attacks on weight updates containing many iterations and achieves state-of-the-art (SOTA) performance. Additionally, our method runs up to 100times faster than the SOTA baseline in the common FL scenario. Our work re-evaluates and highlights the privacy risk of sharing network weights. Our code is available at https://github.com/JunyiZhu-AI/surrogate_model_extension.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

One puzzling artifact in machine learning dubbed grokking is where delayed generalization is achieved tenfolds of iterations after near perfect overfitting to the training data. Focusing on the long delay itself on behalf of machine learning practitioners, our goal is to accelerate generalization of a model under grokking phenomenon. By regarding a series of gradients of a parameter over training iterations as a random signal over time, we can spectrally decompose the parameter trajectories under gradient descent into two components: the fast-varying, overfitting-yielding component and the slow-varying, generalization-inducing component. This analysis allows us to accelerate the grokking phenomenon more than times 50 with only a few lines of code that amplifies the slow-varying components of gradients. The experiments show that our algorithm applies to diverse tasks involving images, languages, and graphs, enabling practical availability of this peculiar artifact of sudden generalization. Our code is available at https://github.com/ironjr/grokfast.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

We propose a gradient flow procedure for generative modeling by transporting particles from an initial source distribution to a target distribution, where the gradient field on the particles is given by a noise-adaptive Wasserstein Gradient of the Maximum Mean Discrepancy (MMD). The noise-adaptive MMD is trained on data distributions corrupted by increasing levels of noise, obtained via a forward diffusion process, as commonly used in denoising diffusion probabilistic models. The result is a generalization of MMD Gradient Flow, which we call Diffusion-MMD-Gradient Flow or DMMD. The divergence training procedure is related to discriminator training in Generative Adversarial Networks (GAN), but does not require adversarial training. We obtain competitive empirical performance in unconditional image generation on CIFAR10, MNIST, CELEB-A (64 x64) and LSUN Church (64 x 64). Furthermore, we demonstrate the validity of the approach when MMD is replaced by a lower bound on the KL divergence.

In this paper, we revisit the joint low-Mach and low-Frode number limit for the compressible Navier-Stokes equations with degenerate, density-dependent viscosity. Employing the relative entropy framework based on the concept of κ-entropy, we rigorously justify the convergence of weak solutions toward the generalized anelastic system in a three-dimensional periodic domain for well-prepared initial data. For general ill-prepared initial data, we establish a similar convergence result in the whole space, relying essentially on dispersive estimates for acoustic waves. Compared with the work of Fanelli and Zatorska [Commun. Math. Phys., 400 (2023), pp. 1463-1506], our analysis is conducted for the standard isentropic pressure law, thereby eliminating the need for the cold pressure term that played a crucial role in the previous approach. To the best of our knowledge, this is the first rigorous singular limit result for the compressible Navier-Stokes equations with degenerate viscosity that requires no additional regularization of the system.

Training learned image compression (LIC) models entails navigating a challenging optimization landscape defined by the fundamental trade-off between rate and distortion. Standard first-order optimizers, such as SGD and Adam, struggle with gradient conflicts arising from competing objectives, leading to slow convergence and suboptimal rate-distortion performance. In this work, we demonstrate that a simple utilization of a second-order quasi-Newton optimizer, SOAP, dramatically improves both training efficiency and final performance across diverse LICs. Our theoretical and empirical analyses reveal that Newton preconditioning inherently resolves the intra-step and inter-step update conflicts intrinsic to the R-D objective, facilitating faster, more stable convergence. Beyond acceleration, we uncover a critical deployability benefit: second-order trained models exhibit significantly fewer activation and latent outliers. This substantially enhances robustness to post-training quantization. Together, these results establish second-order optimization, achievable as a seamless drop-in replacement of the imported optimizer, as a powerful, practical tool for advancing the efficiency and real-world readiness of LICs.

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.

Particle gradient descent, which uses particles to represent a probability measure and performs gradient descent on particles in parallel, is widely used to optimize functions of probability measures. This paper considers particle gradient descent with a finite number of particles and establishes its theoretical guarantees to optimize functions that are displacement convex in measures. Concretely, for Lipschitz displacement convex functions defined on probability over R^d, we prove that O(1/epsilon^2) particles and O(d/epsilon^4) computations are sufficient to find the epsilon-optimal solutions. We further provide improved complexity bounds for optimizing smooth displacement convex functions. We demonstrate the application of our results for function approximation with specific neural architectures with two-dimensional inputs.

Differentiable volumetric rendering-based methods made significant progress in novel view synthesis. On one hand, innovative methods have replaced the Neural Radiance Fields (NeRF) network with locally parameterized structures, enabling high-quality renderings in a reasonable time. On the other hand, approaches have used differentiable splatting instead of NeRF's ray casting to optimize radiance fields rapidly using Gaussian kernels, allowing for fine adaptation to the scene. However, differentiable ray casting of irregularly spaced kernels has been scarcely explored, while splatting, despite enabling fast rendering times, is susceptible to clearly visible artifacts. Our work closes this gap by providing a physically consistent formulation of the emitted radiance c and density {\sigma}, decomposed with Gaussian functions associated with Spherical Gaussians/Harmonics for all-frequency colorimetric representation. We also introduce a method enabling differentiable ray casting of irregularly distributed Gaussians using an algorithm that integrates radiance fields slab by slab and leverages a BVH structure. This allows our approach to finely adapt to the scene while avoiding splatting artifacts. As a result, we achieve superior rendering quality compared to the state-of-the-art while maintaining reasonable training times and achieving inference speeds of 25 FPS on the Blender dataset. Project page with videos and code: https://raygauss.github.io/

Gradient-based optimization has been critical to the success of machine learning, updating a single set of parameters to minimize a single loss. A growing number of applications rely on a generalization of this, where we have a bilevel or nested optimization of which subsets of parameters update on different objectives nested inside each other. We focus on motivating examples of hyperparameter optimization and generative adversarial networks. However, naively applying classical methods often fails when we look at solving these nested problems on a large scale. In this thesis, we build tools for nested optimization that scale to deep learning setups.

Ridge Rider (RR) is an algorithm for finding diverse solutions to optimization problems by following eigenvectors of the Hessian ("ridges"). RR is designed for conservative gradient systems (i.e., settings involving a single loss function), where it branches at saddles - easy-to-find bifurcation points. We generalize this idea to non-conservative, multi-agent gradient systems by proposing a method - denoted Generalized Ridge Rider (GRR) - for finding arbitrary bifurcation points. We give theoretical motivation for our method by leveraging machinery from the field of dynamical systems. We construct novel toy problems where we can visualize new phenomena while giving insight into high-dimensional problems of interest. Finally, we empirically evaluate our method by finding diverse solutions in the iterated prisoners' dilemma and relevant machine learning problems including generative adversarial networks.

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach extends to parametric PDEs. Specifically, we integrate the physical loss gradient with PDE parameters, allowing our method to solve over a distribution of PDE parameters, including coefficients, initial conditions, and boundary conditions. We demonstrate the effectiveness of our approach through empirical experiments on multiple datasets, comparing both training and test-time optimization performance. The code is available at https://github.com/2ailesB/neural-parametric-solver.

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.

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.

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

The recently proposed term "heterostructured (HS) materials" serves as an umbrella classification encompassing a wide range of materials that hold great promise for enhanced mechanical properties. Most HS materials exhibit back-stress strengthening, as is typical for all plastically non-homogeneous materials. To better embody the distinctiveness of materials crafted via innovative heterostructuring, here we introduce the concept of "structural gradient hardening" (SGH), which captures an essential feature of HS materials and complements traditional strengthening mechanisms. SGH refers to the extra strengthening that arises from a characteristic gradient structure introduced by heterostructuring, beyond what is predicted by the rule of mixtures. This distinction is useful, as the overall back stress can in fact be partitioned into Type I and Type II components, with the latter specifically quantifying the extra hardening originating from the structural and strain gradients established by heterostructuring, as articulated in this Viewpoint article.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

JPEG remains one of the most widespread lossy image coding methods. However, the non-differentiable nature of JPEG restricts the application in deep learning pipelines. Several differentiable approximations of JPEG have recently been proposed to address this issue. This paper conducts a comprehensive review of existing diff. JPEG approaches and identifies critical details that have been missed by previous methods. To this end, we propose a novel diff. JPEG approach, overcoming previous limitations. Our approach is differentiable w.r.t. the input image, the JPEG quality, the quantization tables, and the color conversion parameters. We evaluate the forward and backward performance of our diff. JPEG approach against existing methods. Additionally, extensive ablations are performed to evaluate crucial design choices. Our proposed diff. JPEG resembles the (non-diff.) reference implementation best, significantly surpassing the recent-best diff. approach by 3.47dB (PSNR) on average. For strong compression rates, we can even improve PSNR by 9.51dB. Strong adversarial attack results are yielded by our diff. JPEG, demonstrating the effective gradient approximation. Our code is available at https://github.com/necla-ml/Diff-JPEG.

A droplet impacting a deep fluid bath is as common as rain over the ocean. If the impact is sufficiently gentle, the mediating air layer remains intact, and the droplet may rebound completely from the interface. In this work, we experimentally investigate the role of translational bath motion on the bouncing to coalescence transition. Over a range of parameters, we find that the relative bath motion systematically decreases the normal Weber number required to transition from bouncing to merging. Direct numerical simulations demonstrate that the depression created during impact combined with the translational motion of the bath enhances the air layer drainage on the upstream side of the droplet, ultimately favoring coalescence. A simple geometric argument is presented that rationalizes the collapse of the experimental threshold data, extending what is known for the case of axisymmetric normal impacts to the more general 3D scenario of interest herein.

Long gamma-ray bursts (lGRB) are produced by relativistic jets arising from the collapse of massive stars. Such progenitor environments present complex physical conditions that are challenging to model by numerical simulations. The difficulty increases when solving the accretion process and propagation of the outflows, as it requires covering distances from the black hole horizon to beyond the progenitor star. General Relativistic Magnetohydrodynamic (GRMHD) simulations provide a convenient framework to study high-luminosity jets, where magnetic flux plays an important role in the process of jet launching from the central engine. To follow the propagation of the jet through and beyond its progenitor environment, we use multi-scale simulations (i.e., AMR-based). In this work, we report results of 2.5-dimensional GRMHD simulations of a lGRB progenitor. We present highly magnetized, weakly magnetized, and non-magnetized pre-collapse stars, and discuss the observational implications for lGRB jets.

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems pose significant challenges in generating the required data for training state-of-the-art machine learning models. In this work, we introduce Cheetah, a PyTorch-based high-speed differentiable linear-beam dynamics code. Cheetah enables the fast collection of large data sets by reducing computation times by multiple orders of magnitude and facilitates efficient gradient-based optimisation for accelerator tuning and system identification. This positions Cheetah as a user-friendly, readily extensible tool that integrates seamlessly with widely adopted machine learning tools. We showcase the utility of Cheetah through five examples, including reinforcement learning training, gradient-based beamline tuning, gradient-based system identification, physics-informed Bayesian optimisation priors, and modular neural network surrogate modelling of space charge effects. The use of such a high-speed differentiable simulation code will simplify the development of machine learning-based methods for particle accelerators and fast-track their integration into everyday operations of accelerator facilities.

Shape optimization is essential in aerospace vehicle design, including reentry systems, and propulsion system components, as it directly influences aerodynamic efficiency, structural integrity, and overall mission success. Rapid and accurate prediction of external and internal flows accelerates design iterations. To this end, we develop a new variant of DeepONet, called Fusion-DeepONet as a fast surrogate model for geometry-dependent hypersonic and supersonic flow fields. We evaluated Fusion-DeepONet in learning two external hypersonic flows and a supersonic shape-dependent internal flow problem. First, we compare the performance of Fusion-DeepONet with state-of-the-art neural operators to learn inviscid hypersonic flow around semi-elliptic blunt bodies for two grid types: uniform Cartesian and irregular grids. Fusion-DeepONet provides comparable accuracy to parameter-conditioned U-Net on uniform grids while outperforming MeshGraphNet and Vanilla-DeepONet on irregular grids. Fusion-DeepONet requires significantly fewer trainable parameters than U-Net, MeshGraphNet, and FNO. For the second hypersonic problem, we set up Fusion-DeepONet to map from geometry and free stream Mach number to the temperature field around a reentry capsule traveling at hypersonic speed. This fast surrogate is then improved to predict the spatial derivative of the temperature, resulting in an accurate prediction of heat flux at the surfaces of the capsule. To enhance the accuracy of spatial derivative prediction, we introduce a derivative-enhanced loss term with the least computation overhead. For the third problem, we show that Fusion-DeepONet outperforms MeshGraphNet in learning geometry-dependent supersonic flow in a converging-diverging nozzle configuration. For all the problems, we used high-fidelity simulations with a high-order entropy-stable DGSEM solver to generate training datasets with limited samples.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, yet they remain vulnerable to adversarial attacks, notably the well-known jailbreak attack. In particular, the Greedy Coordinate Gradient (GCG) attack has demonstrated efficacy in exploiting this vulnerability by optimizing adversarial prompts through a combination of gradient heuristics and greedy search. However, the efficiency of this attack has become a bottleneck in the attacking process. To mitigate this limitation, in this paper we rethink the generation of the adversarial prompts through an optimization lens, aiming to stabilize the optimization process and harness more heuristic insights from previous optimization iterations. Specifically, we propose the Momentum Accelerated GCG (MAC) attack, which integrates a momentum term into the gradient heuristic to boost and stabilize the random search for tokens in adversarial prompts. Experimental results showcase the notable enhancement achieved by MAC over baselines in terms of attack success rate and optimization efficiency. Moreover, we demonstrate that MAC can still exhibit superior performance for transfer attacks and models under defense mechanisms. Our code is available at https://github.com/weizeming/momentum-attack-llm.

Core collapse supernovae are among the most energetic astrophysical events in the Universe. Despite huge efforts on understanding the main ingredients triggering such explosions, we still lack of compelling evidences for the precise mechanism driving those phenomena. They are expected to produce gravitational waves due to asymmetric mass motions in the collapsing core, and emit in the meanwhile neutrinos as a result of the interactions in their high-density environment. The combination of these two cosmic messengers can provide a unique probe to study the inner engine of these processes and unveil the explosion mechanism. Among the possible detectable signature, standing accretion shock instabilities (SASI) are particularly relevant in this context as they establish a direct connection between gravitational wave emission and the outcoming neutrino flux. In this work, Hilbert-Huang transform is applied to a selected sample of 3D numerical simulations, with the aim of identifying SASI contribution and extract its instantaneous frequency. The performance of the method is evaluated in the context of Einstein Telescope.

Adaptive gradient methods, e.g. Adam, have achieved tremendous success in machine learning. Scaling the learning rate element-wisely by a certain form of second moment estimate of gradients, such methods are able to attain rapid training of modern deep neural networks. Nevertheless, they are observed to suffer from compromised generalization ability compared with stochastic gradient descent (SGD) and tend to be trapped in local minima at an early stage during training. Intriguingly, we discover that substituting the gradient in the second raw moment estimate term with its momentumized version in Adam can resolve the issue. The intuition is that gradient with momentum contains more accurate directional information and therefore its second moment estimation is a more favorable option for learning rate scaling than that of the raw gradient. Thereby we propose AdaMomentum as a new optimizer reaching the goal of training fast while generalizing much better. We further develop a theory to back up the improvement in generalization and provide convergence guarantees under both convex and nonconvex settings. Extensive experiments on a wide range of tasks and models demonstrate that AdaMomentum exhibits state-of-the-art performance and superior training stability consistently.

Current adversarial attacks on motion estimation, or optical flow, optimize small per-pixel perturbations, which are unlikely to appear in the real world. In contrast, adverse weather conditions constitute a much more realistic threat scenario. Hence, in this work, we present a novel attack on motion estimation that exploits adversarially optimized particles to mimic weather effects like snowflakes, rain streaks or fog clouds. At the core of our attack framework is a differentiable particle rendering system that integrates particles (i) consistently over multiple time steps (ii) into the 3D space (iii) with a photo-realistic appearance. Through optimization, we obtain adversarial weather that significantly impacts the motion estimation. Surprisingly, methods that previously showed good robustness towards small per-pixel perturbations are particularly vulnerable to adversarial weather. At the same time, augmenting the training with non-optimized weather increases a method's robustness towards weather effects and improves generalizability at almost no additional cost. Our code will be available at https://github.com/cv-stuttgart/DistractingDownpour.

Advancing towards generalist agents necessitates the concurrent processing of multiple tasks using a unified model, thereby underscoring the growing significance of simultaneous model training on multiple downstream tasks. A common issue in multi-task learning is the occurrence of gradient conflict, which leads to potential competition among different tasks during joint training. This competition often results in improvements in one task at the expense of deterioration in another. Although several optimization methods have been developed to address this issue by manipulating task gradients for better task balancing, they cannot decrease the incidence of gradient conflict. In this paper, we systematically investigate the occurrence of gradient conflict across different methods and propose a strategy to reduce such conflicts through sparse training (ST), wherein only a portion of the model's parameters are updated during training while keeping the rest unchanged. Our extensive experiments demonstrate that ST effectively mitigates conflicting gradients and leads to superior performance. Furthermore, ST can be easily integrated with gradient manipulation techniques, thus enhancing their effectiveness.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

Dynamic adaptation has become an essential technique in accelerating distributed machine learning (ML) training. Recent studies have shown that dynamically adjusting model structure (e.g., lottery ticket hypothesis) or hyperparameters (e.g., batch size) can significantly accelerate training without sacrificing accuracy. However, existing ML cluster schedulers are not designed to handle dynamic adaptation. We show that existing schemes fail to provide fairness and degrade system efficiency when the training throughput changes over time under dynamic adaptation. We design Shockwave, a scheduler with future planning that builds on two key ideas. First, Shockwave extends classic market theory from static settings to dynamic settings to co-optimize efficiency and fairness. Second, Shockwave utilizes stochastic dynamic programming to handle dynamic changes. We build a system for Shockwave and validate its performance with both trace-driven simulation and cluster experiments. Results show that for traces of ML jobs with dynamic adaptation, Shockwave improves makespan by 1.3X and fairness by 2X when compared with existing fair scheduling schemes.

Gradient descent optimization algorithms, while increasingly popular, are often used as black-box optimizers, as practical explanations of their strengths and weaknesses are hard to come by. This article aims to provide the reader with intuitions with regard to the behaviour of different algorithms that will allow her to put them to use. In the course of this overview, we look at different variants of gradient descent, summarize challenges, introduce the most common optimization algorithms, review architectures in a parallel and distributed setting, and investigate additional strategies for optimizing gradient descent.

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

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.

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

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

Differentiable programming techniques are widely used in the community and are responsible for the machine learning renaissance of the past several decades. While these methods are powerful, they have limits. In this short report, we discuss a common chaos based failure mode which appears in a variety of differentiable circumstances, ranging from recurrent neural networks and numerical physics simulation to training learned optimizers. We trace this failure to the spectrum of the Jacobian of the system under study, and provide criteria for when a practitioner might expect this failure to spoil their differentiation based optimization algorithms.

Neural fields have become widely used in various fields, from shape representation to neural rendering, and for solving partial differential equations (PDEs). With the advent of hybrid neural field representations like Instant NGP that leverage small MLPs and explicit representations, these models train quickly and can fit large scenes. Yet in many applications like rendering and simulation, hybrid neural fields can cause noticeable and unreasonable artifacts. This is because they do not yield accurate spatial derivatives needed for these downstream applications. In this work, we propose two ways to circumvent these challenges. Our first approach is a post hoc operator that uses local polynomial fitting to obtain more accurate derivatives from pre-trained hybrid neural fields. Additionally, we also propose a self-supervised fine-tuning approach that refines the hybrid neural field to yield accurate derivatives directly while preserving the initial signal. We show applications of our method to rendering, collision simulation, and solving PDEs. We observe that using our approach yields more accurate derivatives, reducing artifacts and leading to more accurate simulations in downstream applications.

While deep learning and deep reinforcement learning (RL) systems have demonstrated impressive results in domains such as image classification, game playing, and robotic control, data efficiency remains a major challenge. Multi-task learning has emerged as a promising approach for sharing structure across multiple tasks to enable more efficient learning. However, the multi-task setting presents a number of optimization challenges, making it difficult to realize large efficiency gains compared to learning tasks independently. The reasons why multi-task learning is so challenging compared to single-task learning are not fully understood. In this work, we identify a set of three conditions of the multi-task optimization landscape that cause detrimental gradient interference, and develop a simple yet general approach for avoiding such interference between task gradients. We propose a form of gradient surgery that projects a task's gradient onto the normal plane of the gradient of any other task that has a conflicting gradient. On a series of challenging multi-task supervised and multi-task RL problems, this approach leads to substantial gains in efficiency and performance. Further, it is model-agnostic and can be combined with previously-proposed multi-task architectures for enhanced performance.

In this paper we consider a particular class of solutions of the Rayleigh-Boltzmann equation, known in the nonlinear setting as homoenergetic solutions, which have the form gleft( x,v,t right) =fleft( v-Lleft( tright)x,tright) where the matrix L(t) describes a shear flow deformation. We began this analysis in [22] where we rigorously proved the existence of a stationary non-equilibrium solution and established the different behaviour of the solutions for small and large values of the shear parameter, for cut-off collision kernels with homogeneity parameter 0leq gamma <1, including Maxwell molecules and hard potentials. In this paper, we concentrate in the case where the deformation term dominates the collision term for large times (hyperbolic-dominated regime). This occurs for collision kernels with gamma < 0 and in particular we focus on gamma in (-1,0). In such a hyperbolic-dominated regime, it appears challenging to provide a clear description of the long-term asymptotics of the solutions. Here we present a formal analysis of the long-time asymptotics for the distribution of velocities and provide the explicit form for the asymptotic profile. Additionally, we discuss the different asymptotic behaviour expected in the case of homogeneity gamma < -1. Furthermore, we provide a probabilistic interpretation describing a stochastic process consisting in a combination of collisions and shear flows. The tagged particle velocity {v(t)}_{tgeq 0} is a Markov process that arises from the combination of free flights in a shear flow along with random jumps caused by collisions.

To perform adversarial attacks in the physical world, many studies have proposed adversarial camouflage, a method to hide a target object by applying camouflage patterns on 3D object surfaces. For obtaining optimal physical adversarial camouflage, previous studies have utilized the so-called neural renderer, as it supports differentiability. However, existing neural renderers cannot fully represent various real-world transformations due to a lack of control of scene parameters compared to the legacy photo-realistic renderers. In this paper, we propose the Differentiable Transformation Attack (DTA), a framework for generating a robust physical adversarial pattern on a target object to camouflage it against object detection models with a wide range of transformations. It utilizes our novel Differentiable Transformation Network (DTN), which learns the expected transformation of a rendered object when the texture is changed while preserving the original properties of the target object. Using our attack framework, an adversary can gain both the advantages of the legacy photo-realistic renderers including various physical-world transformations and the benefit of white-box access by offering differentiability. Our experiments show that our camouflaged 3D vehicles can successfully evade state-of-the-art object detection models in the photo-realistic environment (i.e., CARLA on Unreal Engine). Furthermore, our demonstration on a scaled Tesla Model 3 proves the applicability and transferability of our method to the real world.

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.

Mixture-of-Experts (MoE) architectures achieve parameter efficiency through conditional computation, yet contemporary designs suffer from two fundamental limitations: structural parameter isolation that causes catastrophic forgetting, and instruction-overfitting that degrades performance in instruction-free scenarios. We propose CDSP-MoE (Conflict-Driven Subspace Pruning MoE), a framework that addresses these issues through a paradigm shift from isolated expert containers to dynamic expert instantiation within a shared physical subspace. Grounded in the Universal Weight Subspace Hypothesis, CDSP-MoE maintains a super-complete parameter backbone where logical experts are carved out via learnable topology masks. Unlike prior work that uses gradient conflict for token reassignment or optimization surgery, we leverage it as a structural supervisory signal: a Lagged Gradient Game penalizes interfering connections in the shared manifold, enabling the topology to spontaneously prune conflicting pathways and evolve interpretable modular structures. Experimental results demonstrate that CDSP-MoE achieves robust content-driven routing without human-defined task labels, maintaining semantic specialization even under strict blind inference protocols where explicit instructions are absent. Code is available at: https://github.com/konodiodaaaaa1/Conflict-Driven-Subspace-Pruning-Mixture-of-Experts

3D creation has always been a unique human strength, driven by our ability to deconstruct and reassemble objects using our eyes, mind and hand. However, current 3D design tools struggle to replicate this natural process, requiring considerable artistic expertise and manual labor. This paper introduces BANG, a novel generative approach that bridges 3D generation and reasoning, allowing for intuitive and flexible part-level decomposition of 3D objects. At the heart of BANG is "Generative Exploded Dynamics", which creates a smooth sequence of exploded states for an input geometry, progressively separating parts while preserving their geometric and semantic coherence. BANG utilizes a pre-trained large-scale latent diffusion model, fine-tuned for exploded dynamics with a lightweight exploded view adapter, allowing precise control over the decomposition process. It also incorporates a temporal attention module to ensure smooth transitions and consistency across time. BANG enhances control with spatial prompts, such as bounding boxes and surface regions, enabling users to specify which parts to decompose and how. This interaction can be extended with multimodal models like GPT-4, enabling 2D-to-3D manipulations for more intuitive and creative workflows. The capabilities of BANG extend to generating detailed part-level geometry, associating parts with functional descriptions, and facilitating component-aware 3D creation and manufacturing workflows. Additionally, BANG offers applications in 3D printing, where separable parts are generated for easy printing and reassembly. In essence, BANG enables seamless transformation from imaginative concepts to detailed 3D assets, offering a new perspective on creation that resonates with human intuition.

Training large language models (LLMs) presents numerous challenges, including gradient instability and loss spikes. These phenomena can lead to catastrophic divergence, requiring costly checkpoint restoration and data batch skipping. Traditional gradient clipping techniques, such as constant or norm-based methods, fail to address these issues effectively due to their reliance on fixed thresholds or heuristics, leading to inefficient learning and requiring frequent manual intervention. In this work, we propose ZClip, an adaptive gradient clipping algorithm that dynamically adjusts the clipping threshold based on statistical properties of gradient norms over time. Unlike prior reactive strategies, ZClip proactively adapts to training dynamics without making any prior assumptions on the scale and the temporal evolution of gradient norms. At its core, it leverages z-score-based anomaly detection to identify and mitigate large gradient spikes, preventing malignant loss spikes while not interfering with convergence otherwise. Our code is available at: https://github.com/bluorion-com/ZClip.

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.

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.

Runaway electron current generated during the Current Quench phase of tokamak disruptions could result in severe damage to future high performance devices. To control and mitigate such runaway electron current, it is important to accurately describe the runaway electron current dominated equilibrium, based on which further stability analysis could be carried out. In this paper, we derive a Grad-Shafranov-like equation solving for the axisymmetric drift surfaces of the runaway electrons for the simple case that all runaway electron share the same parallel momentum. This new equilibrium equation is then numerically solved with simple rectangular wall with ITER-like and MAST-like geometry parameters. The deviation between the drift surfaces and the flux surfaces is readily obtained, and runaway electrons is found to be well confined even in regions with open field lines. The change of the runaway electron parallel momentum is found to result in a horizontal current center displacement without any changes in the total current or the external field. The runaway current density profile is found to affect the susceptibility of such displacement, with flatter profiles result in more displacement by the same momentum change. With up-down asymmetry in the external poloidal field, such displacement is accompanied by a vertical displacement of runaway electron current. It is found that this effect is more pronounced in smaller, compact device and weaker poloidal field cases. The above results demonstrate the dynamics of current center displacement caused by the momentum space change in the runaway electrons, and pave way for future, more sophisticated runaway current equilibrium theory with more realistic consideration on the runaway electron momentum distribution. This new equilibrium theory also provides foundation for future stability analysis of the runaway electron current.

We present synthetic light curves and spectra from three-dimensional (3D) Monte Carlo radiative transfer simulations based on a 3D core-collapse supernova explosion model of an ultra-stripped 3.5,M_{odot} progenitor. Our calculations predict a fast and faint transient with Delta m_{15} sim 1- 2,mag and peak bolometric luminosity between -15.3,mag and -16.4,mag. Due to a large-scale unipolar asymmetry in the distribution of ^{56}Ni, there is a pronounced viewing-angle dependence with about 1,mag difference between the directions of highest and lowest luminosity. The predicted spectra for this rare class of explosions do not yet match any observed counterpart. They are dominated by prominent Mg~II lines, but features from O, C, Si, and Ca are also found. In particular, the O~I line at 7{774} appears as a blended feature together with Mg~II emission. Our model is not only faster and fainter than the observed Ib/c supernova population, but also shows a correlation between higher peak luminosity and larger Delta m_{15} that is not present in observational samples. A possible explanation is that the unusually small ejecta mass of our model accentuates the viewing-angle dependence of the photometry. We suggest that the viewing-angle dependence of the photometry may be used to constrain asymmetries in explosion models of more typical stripped-envelope supernova progenitors in future.

We study gradient compression methods to alleviate the communication bottleneck in data-parallel distributed optimization. Despite the significant attention received, current compression schemes either do not scale well or fail to achieve the target test accuracy. We propose a new low-rank gradient compressor based on power iteration that can i) compress gradients rapidly, ii) efficiently aggregate the compressed gradients using all-reduce, and iii) achieve test performance on par with SGD. The proposed algorithm is the only method evaluated that achieves consistent wall-clock speedups when benchmarked against regular SGD with an optimized communication backend. We demonstrate reduced training times for convolutional networks as well as LSTMs on common datasets. Our code is available at https://github.com/epfml/powersgd.

On the basis of a large collection of detailed 3D core-collapse supernova simulations carried to late times, we identify four channels of stellar mass black hole formation. Our examples for Channel 1 involve the formation of lower-gap and above black holes in energetic asymmetric supernova explosions. Our Channel 2 example involves a modest supernova explosion that may leave behind a lower-gap to sim10 M_{odot} black hole. The latter may not be easily distinguishable from ``standard" supernovae that birth neutron stars. Our Channel 3 example experiences an aborted core-collapse explosion, more often in the context of a low-metallicity progenitor, whose residue is a black hole with a mass perhaps up to sim40 M_{odot}. The latter may be accompanied by a pulsational-pair instability supernova (PPISN). Channel 4 is the only quiescent or ``silent" scenario for which perhaps sim5 to 15 M_{odot} black holes are left. Where appropriate, we estimate ^{56}Ni yields, explosion energies, approximate recoil speeds, and residual black hole masses. The progenitor mass density and binding energy profiles at collapse influence the outcome in a systematic way. The statistics and prevalence of these various channels depend not only on still evolving supernova theory, but on remaining issues with the theory of massive star evolution, binary interaction, wind mass loss, metallicity, and the nuclear equation of state. Importantly, we suggest, but have not proven, that the silent channel for black hole formation may not be the dominant formation modality.

NeRF synthesizes novel views of a scene with unprecedented quality by fitting a neural radiance field to RGB images. However, NeRF requires querying a deep Multi-Layer Perceptron (MLP) millions of times, leading to slow rendering times, even on modern GPUs. In this paper, we demonstrate that real-time rendering is possible by utilizing thousands of tiny MLPs instead of one single large MLP. In our setting, each individual MLP only needs to represent parts of the scene, thus smaller and faster-to-evaluate MLPs can be used. By combining this divide-and-conquer strategy with further optimizations, rendering is accelerated by three orders of magnitude compared to the original NeRF model without incurring high storage costs. Further, using teacher-student distillation for training, we show that this speed-up can be achieved without sacrificing visual quality.

We introduce Gradient Descent with Adaptive Momentum Scaling (Grams), a novel optimization algorithm that decouples the direction and magnitude of parameter updates in deep learning. Unlike traditional optimizers that directly integrate momentum into updates, Grams separates the update direction, derived from current gradients, from momentum, which is used solely for adaptive magnitude scaling. This approach enables Grams to achieve improved loss descent compared to state-of-the-art cautious and momentum-based optimizers. We establish a global convergence guarantee for Grams and validate its effectiveness through extensive empirical evaluations. The results demonstrate Grams' superior performance, including faster convergence and better generalization, compared to widely-used optimizers such as Adam, Lion, and their cautious variants. Our results highlight Grams' potential as a transformative approach for efficient optimization in large-scale machine learning.

Recently, there has been a growing interest in automating the process of neural architecture design, and the Differentiable Architecture Search (DARTS) method makes the process available within a few GPU days. However, the performance of DARTS is often observed to collapse when the number of search epochs becomes large. Meanwhile, lots of "{\em skip-connect}s" are found in the selected architectures. In this paper, we claim that the cause of the collapse is that there exists overfitting in the optimization of DARTS. Therefore, we propose a simple and effective algorithm, named "DARTS+", to avoid the collapse and improve the original DARTS, by "early stopping" the search procedure when meeting a certain criterion. We also conduct comprehensive experiments on benchmark datasets and different search spaces and show the effectiveness of our DARTS+ algorithm, and DARTS+ achieves 2.32% test error on CIFAR10, 14.87% on CIFAR100, and 23.7% on ImageNet. We further remark that the idea of "early stopping" is implicitly included in some existing DARTS variants by manually setting a small number of search epochs, while we give an {\em explicit} criterion for "early stopping".

Training large language models (LLMs) is often bottlenecked by extreme memory demands, with optimizer states dominating the footprint. Recent works mitigates this cost by projecting gradients into low-dimensional subspaces using sophisticated update strategies. In this paper, we analyze the dynamics of gradient space and its underlying subspaces. We find that while a small subspace captures most gradient energy, a significant portion still resides in the residual bulk; moreover, the influence of the core subspace diminishes over time and in deeper layers. We also observe that the gradient space exhibits near-flat curvature, calling for algorithms that explicitly account for this geometry. Motivated by these insights, we introduce a suite of randomized algorithms, GrassWalk and GrassJump, which exploit subspace and achieve state-of-the-art memory savings while improving performance on LLaMA-1B and LLaMA-7B pretraining.

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

As large language models become increasingly integrated into daily life, audio has emerged as a key interface for human-AI interaction. However, this convenience also introduces new vulnerabilities, making audio a potential attack surface for adversaries. Our research introduces WhisperInject, a two-stage adversarial audio attack framework that can manipulate state-of-the-art audio language models to generate harmful content. Our method uses imperceptible perturbations in audio inputs that remain benign to human listeners. The first stage uses a novel reward-based optimization method, Reinforcement Learning with Projected Gradient Descent (RL-PGD), to guide the target model to circumvent its own safety protocols and generate harmful native responses. This native harmful response then serves as the target for Stage 2, Payload Injection, where we use Projected Gradient Descent (PGD) to optimize subtle perturbations that are embedded into benign audio carriers, such as weather queries or greeting messages. Validated under the rigorous StrongREJECT, LlamaGuard, as well as Human Evaluation safety evaluation framework, our experiments demonstrate a success rate exceeding 86% across Qwen2.5-Omni-3B, Qwen2.5-Omni-7B, and Phi-4-Multimodal. Our work demonstrates a new class of practical, audio-native threats, moving beyond theoretical exploits to reveal a feasible and covert method for manipulating AI behavior.

In this paper, we propose a general deep learning training framework XGrad which introduces weight prediction into the popular gradient-based optimizers to boost their convergence and generalization when training the deep neural network (DNN) models. In particular, ahead of each mini-batch training, the future weights are predicted according to the update rule of the used optimizer and are then applied to both the forward pass and backward propagation. In this way, during the whole training period, the optimizer always utilizes the gradients w.r.t. the future weights to update the DNN parameters, making the gradient-based optimizer achieve better convergence and generalization compared to the original optimizer without weight prediction. XGrad is rather straightforward to implement yet pretty effective in boosting the convergence of gradient-based optimizers and the accuracy of DNN models. Empirical results concerning the most three popular gradient-based optimizers including SGD with momentum, Adam, and AdamW demonstrate the effectiveness of our proposal. The experimental results validate that XGrad can attain higher model accuracy than the original optimizers when training the DNN models. The code of XGrad will be available at: https://github.com/guanleics/XGrad.

We propose conditional flows of the maximum mean discrepancy (MMD) with the negative distance kernel for posterior sampling and conditional generative modeling. This MMD, which is also known as energy distance, has several advantageous properties like efficient computation via slicing and sorting. We approximate the joint distribution of the ground truth and the observations using discrete Wasserstein gradient flows and establish an error bound for the posterior distributions. Further, we prove that our particle flow is indeed a Wasserstein gradient flow of an appropriate functional. The power of our method is demonstrated by numerical examples including conditional image generation and inverse problems like superresolution, inpainting and computed tomography in low-dose and limited-angle settings.

In current deep learning tasks, Adam style optimizers such as Adam, Adagrad, RMSProp, Adafactor, and Lion have been widely used as alternatives to SGD style optimizers. These optimizers typically update model parameters using the sign of gradients, resulting in more stable convergence curves. The learning rate and the batch size are the most critical hyperparameters for optimizers, which require careful tuning to enable effective convergence. Previous research has shown that the optimal learning rate increases linearly or follows similar rules with batch size for SGD style optimizers. However, this conclusion is not applicable to Adam style optimizers. In this paper, we elucidate the connection between optimal learning rates and batch sizes for Adam style optimizers through both theoretical analysis and extensive experiments. First, we raise the scaling law between batch sizes and optimal learning rates in the sign of gradient case, in which we prove that the optimal learning rate first rises and then falls as the batch size increases. Moreover, the peak value of the surge will gradually move toward the larger batch size as training progresses. Second, we conducted experiments on various CV and NLP tasks and verified the correctness of the scaling law.

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.

Accurate and rapid prediction of wildfire trends is crucial for effective management and mitigation. However, the stochastic nature of fire propagation poses significant challenges in developing reliable simulators. In this paper, we introduce PyTorchFire, an open-access, PyTorch-based software that leverages GPU acceleration. With our redesigned differentiable wildfire Cellular Automata (CA) model, we achieve millisecond-level computational efficiency, significantly outperforming traditional CPU-based wildfire simulators on real-world-scale fires at high resolution. Real-time parameter calibration is made possible through gradient descent on our model, aligning simulations closely with observed wildfire behavior both temporally and spatially, thereby enhancing the realism of the simulations. Our PyTorchFire simulator, combined with real-world environmental data, demonstrates superior generalizability compared to supervised learning surrogate models. Its ability to predict and calibrate wildfire behavior in real-time ensures accuracy, stability, and efficiency. PyTorchFire has the potential to revolutionize wildfire simulation, serving as a powerful tool for wildfire prediction and management.

We introduce a new algorithm named WGAN, an alternative to traditional GAN training. In this new model, we show that we can improve the stability of learning, get rid of problems like mode collapse, and provide meaningful learning curves useful for debugging and hyperparameter searches. Furthermore, we show that the corresponding optimization problem is sound, and provide extensive theoretical work highlighting the deep connections to other distances between distributions.

Despite excellent average-case performance of many image classifiers, their performance can substantially deteriorate on semantically coherent subgroups of the data that were under-represented in the training data. These systematic errors can impact both fairness for demographic minority groups as well as robustness and safety under domain shift. A major challenge is to identify such subgroups with subpar performance when the subgroups are not annotated and their occurrence is very rare. We leverage recent advances in text-to-image models and search in the space of textual descriptions of subgroups ("prompts") for subgroups where the target model has low performance on the prompt-conditioned synthesized data. To tackle the exponentially growing number of subgroups, we employ combinatorial testing. We denote this procedure as PromptAttack as it can be interpreted as an adversarial attack in a prompt space. We study subgroup coverage and identifiability with PromptAttack in a controlled setting and find that it identifies systematic errors with high accuracy. Thereupon, we apply PromptAttack to ImageNet classifiers and identify novel systematic errors on rare subgroups.

Efficient numerical solvers for partial differential equations empower science and engineering. One of the commonly employed numerical solvers is the preconditioned conjugate gradient (PCG) algorithm which can solve large systems to a given precision level. One challenge in PCG solvers is the selection of preconditioners, as different problem-dependent systems can benefit from different preconditioners. We present a new method to introduce inductive bias in preconditioning conjugate gradient algorithm. Given a system matrix and a set of solution vectors arise from an underlying distribution, we train a graph neural network to obtain an approximate decomposition to the system matrix to be used as a preconditioner in the context of PCG solvers. We conduct extensive experiments to demonstrate the efficacy and generalizability of our proposed approach in solving various 2D and 3D linear second-order PDEs.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under the level set equation (LSE). For this, it extends the representation of neural implicit surfaces to the space-time R^3times R, which opens up mechanisms for continuous geometric transformations. Examples include evolving an initial surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions. The network training considers two constraints. A data term is responsible for fitting the initial condition to the corresponding time instant, usually R^3 times {0}. Then, a LSE term forces the network to approximate the underlying geometric evolution given by the LSE, without any supervision. The network can also be initialized based on previously trained initial conditions, resulting in faster convergence compared to the standard approach.

Deep Gradient Leakage (DGL) is a highly effective attack that recovers private training images from gradient vectors. This attack casts significant privacy challenges on distributed learning from clients with sensitive data, where clients are required to share gradients. Defending against such attacks requires but lacks an understanding of when and how privacy leakage happens, mostly because of the black-box nature of deep networks. In this paper, we propose a novel Inversion Influence Function (I^2F) that establishes a closed-form connection between the recovered images and the private gradients by implicitly solving the DGL problem. Compared to directly solving DGL, I^2F is scalable for analyzing deep networks, requiring only oracle access to gradients and Jacobian-vector products. We empirically demonstrate that I^2F effectively approximated the DGL generally on different model architectures, datasets, attack implementations, and noise-based defenses. With this novel tool, we provide insights into effective gradient perturbation directions, the unfairness of privacy protection, and privacy-preferred model initialization. Our codes are provided in https://github.com/illidanlab/inversion-influence-function.

In this paper, we investigate the behavior of gradient descent algorithms in physics-informed machine learning methods like PINNs, which minimize residuals connected to partial differential equations (PDEs). Our key result is that the difficulty in training these models is closely related to the conditioning of a specific differential operator. This operator, in turn, is associated to the Hermitian square of the differential operator of the underlying PDE. If this operator is ill-conditioned, it results in slow or infeasible training. Therefore, preconditioning this operator is crucial. We employ both rigorous mathematical analysis and empirical evaluations to investigate various strategies, explaining how they better condition this critical operator, and consequently improve training.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

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.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

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/.

Large-scale distributed training requires significant communication bandwidth for gradient exchange that limits the scalability of multi-node training, and requires expensive high-bandwidth network infrastructure. The situation gets even worse with distributed training on mobile devices (federated learning), which suffers from higher latency, lower throughput, and intermittent poor connections. In this paper, we find 99.9% of the gradient exchange in distributed SGD is redundant, and propose Deep Gradient Compression (DGC) to greatly reduce the communication bandwidth. To preserve accuracy during compression, DGC employs four methods: momentum correction, local gradient clipping, momentum factor masking, and warm-up training. We have applied Deep Gradient Compression to image classification, speech recognition, and language modeling with multiple datasets including Cifar10, ImageNet, Penn Treebank, and Librispeech Corpus. On these scenarios, Deep Gradient Compression achieves a gradient compression ratio from 270x to 600x without losing accuracy, cutting the gradient size of ResNet-50 from 97MB to 0.35MB, and for DeepSpeech from 488MB to 0.74MB. Deep gradient compression enables large-scale distributed training on inexpensive commodity 1Gbps Ethernet and facilitates distributed training on mobile. Code is available at: https://github.com/synxlin/deep-gradient-compression.