Daily Papers

The choice of post-training data for large language models substantially affects downstream performance. Gradient-based data selection is a popular approach that ranks training data by how well their gradients align with those of a small validation set. However, ranking with full-parameter gradients requires an expensive backward pass on every sample, making computation intractable for large candidate pools. This raises a natural question: can we approximate full-gradient features at a fraction of the cost? Conveniently, we find that output-layer gradients suffice for effective data selection, yet require only the cheaper forward pass. We implement this as LESSER, a drop-in wrapper for selection methods that reduces the feature-extraction FLOP cost by 9.7times for SFT and 3.0times for RL benchmarks, while tracking full-gradient performance on downstream tasks. Empirically, we find that even when output-layer and full gradients rank individual samples differently, they select batches with aligned gradients.

Full-parameter fine-tuning has become the go-to choice for adapting language models (LMs) to downstream tasks due to its excellent performance. As LMs grow in size, fine-tuning the full parameters of LMs requires a prohibitively large amount of GPU memory. Existing approaches utilize zeroth-order optimizer to conserve GPU memory, which can potentially compromise the performance of LMs as non-zero order optimizers tend to converge more readily on most downstream tasks. In this paper, we propose a novel optimizer-independent end-to-end hierarchical fine-tuning strategy, HiFT, which only updates a subset of parameters at each training step. HiFT can significantly reduce the amount of gradients and optimizer state parameters residing in GPU memory at the same time, thereby reducing GPU memory usage. Our results demonstrate that: (1) HiFT achieves comparable performance to parameter-efficient fine-tuning and standard full parameter fine-tuning. (2) HiFT supports various optimizers including AdamW, AdaGrad, SGD, etc. (3) HiFT can save more than 60\% GPU memory compared with standard full-parameter fine-tuning for 7B model. (4) HiFT enables full-parameter fine-tuning of a 7B model on single 48G A6000 with a precision of 32 using the AdamW optimizer, without using any memory saving techniques.

Pre-trained large language models (LLMs) require fine-tuning to improve their responsiveness to natural language instructions. Federated learning (FL) offers a way to perform fine-tuning using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance heights possible with full-parameter tuning. However, the communication overhead associated with full-parameter tuning is prohibitively high for both servers and clients. This work introduces FedKSeed, a novel approach that employs zeroth-order optimization (ZOO) with a set of random seeds. It enables federated full-parameter tuning of billion-sized LLMs directly on devices. Our method significantly reduces transmission requirements between the server and clients to just a few scalar gradients and random seeds, amounting to only a few thousand bytes. Building on this, we develop a strategy to assess the significance of ZOO perturbations for FL, allowing for probability-differentiated seed sampling. This prioritizes perturbations that have a greater impact on model accuracy. Experiments across six scenarios with different LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in terms of both communication efficiency and new task generalization.

As large language models (LLMs) scale to billions of parameters, full-parameter fine-tuning becomes compute- and memory-prohibitive. Parameter-efficient fine-tuning (PEFT) mitigates this issue by updating only a small set of task-specific parameters while keeping the base model frozen. Among PEFT approaches, low-rank adaptation (LoRA) is widely adopted; however, it enforces a uniform rank across layers despite substantial variation in layer importance, motivating {layerwise} rank allocation. Recent adaptive-rank variants (e.g., AdaLoRA) allocate ranks based on importance scores, yet typically rely on instantaneous gradients that capture only local sensitivity, overlooking non-local, pathwise effects within the same layer, which yields unstable and biased scores. To address this limitation, we introduce IGU-LoRA, an adaptive-rank LoRA that (i) computes within-layer Integrated Gradients (IG) sensitivities and aggregates them into a layer-level score for rank allocation, and (ii) applies an uncertainty-aware scheme using exponential moving averages with deviation tracking to suppress noisy updates and calibrate rank selection. Theoretically, we prove an upper bound on the composite trapezoidal rule approximation error for parameter-space IG under a pathwise Hessian-Lipschitz condition, which informs the quadrature budget. Across diverse tasks and architectures, IGU-LoRA consistently outperforms strong PEFT baselines at matched parameter budgets, improving downstream accuracy and robustness. Ablations confirm the contributions of pathwise within-layer sensitivity estimates and uncertainty-aware selection to effective rank allocation. Our code is publicly available at https://github.com/withyou12/igulora.git

Parameter-efficient fine-tuning (PEFT) has emerged as a practical solution for adapting large language models (LLMs) to custom datasets with significantly reduced computational cost. When carrying out PEFT under collaborative learning scenarios (e.g., federated learning), it is often required to exchange model updates (or gradients) across parties. These gradients, even with limited dimensions, can cause severe breach of data privacy. Recent works have shown that both contextual prefixes and personally identifiable information (PII) can be exposed through gradients. However, simultaneously and accurately recovering both components from the same training instance remains infeasible due to the following challenges: 1) limited number of PEFT parameters; 2) high-dimensional token spaces; and 3) large batch sizes. We propose ReCIT, a novel privacy attack that addresses all challenges, and achieves recovery of full private data from PEFT gradients with high fidelity. Specifically, ReCIT proposes to enhance the memorization capability of the pre-trained model through malicious fine-tuning with Personal Notes; ReCIT also proposes a novel filter-based token extraction technique and a token pairing mechanism, to accurately reconstruct tokens from the training sequences with large batch sizes. Extensive evaluations show that ReCIT consistently outperforms state-of-the-art gradient inversion and memorization-based attacks across different PEFT paradigms. It achieves up to 10times higher PII recovery rates and remains effective across varying batch sizes, especially in settings where prefix reconstruction is intractable for conventional approaches. These findings highlight an urgent need to reassess the privacy guarantees of PEFT, especially in decentralized or shared training environments.

We present MegaTrain, a memory-centric system that efficiently trains 100B+ parameter large language models at full precision on a single GPU. Unlike traditional GPU-centric systems, MegaTrain stores parameters and optimizer states in host memory (CPU memory) and treats GPUs as transient compute engines. For each layer, we stream parameters in and compute gradients out, minimizing persistent device state. To battle the CPU-GPU bandwidth bottleneck, we adopt two key optimizations. 1) We introduce a pipelined double-buffered execution engine that overlaps parameter prefetching, computation, and gradient offloading across multiple CUDA streams, enabling continuous GPU execution. 2) We replace persistent autograd graphs with stateless layer templates, binding weights dynamically as they stream in, eliminating persistent graph metadata while providing flexibility in scheduling. On a single H200 GPU with 1.5TB host memory, MegaTrain reliably trains models up to 120B parameters. It also achieves 1.84times the training throughput of DeepSpeed ZeRO-3 with CPU offloading when training 14B models. MegaTrain also enables 7B model training with 512k token context on a single GH200.

Continual learning in large language models (LLMs) is prone to catastrophic forgetting, where adapting to new tasks significantly degrades performance on previously learned ones. Existing methods typically rely on low-rank, parameter-efficient updates that limit the model's expressivity and introduce additional parameters per task, leading to scalability issues. To address these limitations, we propose a novel continual full fine-tuning approach leveraging adaptive singular value decomposition (SVD). Our method dynamically identifies task-specific low-rank parameter subspaces and constrains updates to be orthogonal to critical directions associated with prior tasks, thus effectively minimizing interference without additional parameter overhead or storing previous task gradients. We evaluate our approach extensively on standard continual learning benchmarks using both encoder-decoder (T5-Large) and decoder-only (LLaMA-2 7B) models, spanning diverse tasks including classification, generation, and reasoning. Empirically, our method achieves state-of-the-art results, up to 7% higher average accuracy than recent baselines like O-LoRA, and notably maintains the model's general linguistic capabilities, instruction-following accuracy, and safety throughout the continual learning process by reducing forgetting to near-negligible levels. Our adaptive SVD framework effectively balances model plasticity and knowledge retention, providing a practical, theoretically grounded, and computationally scalable solution for continual learning scenarios in large language models.

It is widely believed that a neural network can fit a training set containing at least as many samples as it has parameters, underpinning notions of overparameterized and underparameterized models. In practice, however, we only find solutions accessible via our training procedure, including the optimizer and regularizers, limiting flexibility. Moreover, the exact parameterization of the function class, built into an architecture, shapes its loss surface and impacts the minima we find. In this work, we examine the ability of neural networks to fit data in practice. Our findings indicate that: (1) standard optimizers find minima where the model can only fit training sets with significantly fewer samples than it has parameters; (2) convolutional networks are more parameter-efficient than MLPs and ViTs, even on randomly labeled data; (3) while stochastic training is thought to have a regularizing effect, SGD actually finds minima that fit more training data than full-batch gradient descent; (4) the difference in capacity to fit correctly labeled and incorrectly labeled samples can be predictive of generalization; (5) ReLU activation functions result in finding minima that fit more data despite being designed to avoid vanishing and exploding gradients in deep architectures.

Large Language Models (LLMs) have revolutionized Natural Language Processing (NLP) but demand massive GPU resources for training. Lowering the threshold for LLMs training would encourage greater participation from researchers, benefiting both academia and society. While existing approaches have focused on parameter-efficient fine-tuning, which tunes or adds a small number of parameters, few have addressed the challenge of tuning the full parameters of LLMs with limited resources. In this work, we propose a new optimizer, LOw-Memory Optimization (LOMO), which fuses the gradient computation and the parameter update in one step to reduce memory usage. By integrating LOMO with existing memory saving techniques, we reduce memory usage to 10.8% compared to the standard approach (DeepSpeed solution). Consequently, our approach enables the full parameter fine-tuning of a 65B model on a single machine with 8 RTX 3090, each with 24GB memory.

Large Language Models (LLMs) have showcased remarkable impacts across a wide spectrum of natural language processing tasks. Fine-tuning these pre-trained models on downstream datasets provides further significant performance gains, but this process has been challenging due to its extraordinary resource requirements. To this end, existing efforts focus on parameter-efficient fine-tuning, which, unfortunately, fail to capitalize on the powerful potential of full-parameter fine-tuning. In this work, we propose QFT, a novel Quantized Full-parameter Tuning framework for LLMs that enables memory-efficient fine-tuning without harming performance. Our framework incorporates two novel ideas: (i) we adopt the efficient Lion optimizer, which only keeps track of the momentum and has consistent update magnitudes for each parameter, an inherent advantage for robust quantization; and (ii) we quantize all model states and store them as integer values, and present a gradient flow and parameter update scheme for the quantized weights. As a result, QFT reduces the model state memory to 21% of the standard solution while achieving comparable performance, e.g., tuning a LLaMA-7B model requires only <30GB of memory, satisfied by a single A6000 GPU.

Low-bit quantization suffers severe accuracy degradation on compact networks, rooted in the dominant full-parameter coupled training paradigm that ignores parameter subspace heterogeneity. Their limited feature redundancy leaves little room to absorb quantization errors. Conventional pipelines adopt monolithic optimization: PTQ reconstructs fixed pretrained models without improving inherent quantization friendliness; QAT updates all parameters jointly, suffering from gradient coupling between backbone weights and calibration parameters. In this paper, we identify normalization affine parameters as a low-dimensional high-leverage subspace dominating quantization robustness, and propose Normalization Affine Preconditioning (NAP) for targeted subspace optimization. For PTQ, NAP freezes backbone weights and fine-tunes only affine parameters under the target fake-quantization graph on full-precision models, proactively boosting quantization friendliness before downstream reconstruction. For QAT, we introduce an alternating QAT-NAP schema that decouples feature learning and numerical calibration, breaking the performance ceiling of saturated joint training. Theoretical analysis confirms BN affine parameters fully cancel the channel-wise affine component of quantization distortion, while nonlinear rounding and clipping residuals form the irreducible error boundary; distillation-guided NAP acts as directional flatness optimization, projecting teacher-student logit mismatch onto the restricted subspace. Experiments on ImageNet and CIFAR-100 show NAP recovers severely collapsed low-bit quantization, consistently boosts reconstruction-based PTQ, and outperforms saturated full-parameter QAT with negligible tuning cost. This work reveals the principle of targeted low-dimensional subspace optimization, offering a new perspective beyond full-parameter coupled training for efficient deep learning.

Memory-efficient optimization methods have recently gained increasing attention for scaling full-parameter training of large language models under the GPU-memory bottleneck. Existing approaches either lack clear convergence guarantees, or only achieve the standard {O}(ε^{-4}) iteration complexity in the nonconvex settings. We propose Omni-Masked Gradient Descent (OMGD), an optimization method based on mask traversal for memory efficient training, and provide a nonconvex convergence analysis that establishes a strictly improved iteration complexity of mathcal{O}(ε^{-3}) for finding an ε-approximate stationary point. Empirically, OMGD is a lightweight, plug-and-play approach that integrates seamlessly into most mainstream optimizers, yielding consistent improvements over competitive baselines in both fine-tuning and pre-training tasks.

In recent years, large language models (LLMs) have made remarkable progress, with model optimization primarily relying on gradient-based optimizers such as Adam. However, these gradient-based methods impose stringent hardware requirements, demanding high-concurrency, high-memory GPUs. Moreover, they require all neural network operations to be differentiable, thereby excluding many promising non-differentiable architectures from practical use. To address these limitations, we propose EA4LLM, an evolutionary algorithm for optimizing LLMs, and, for the first time, empirically verify full-parameter optimization from the pretraining stage across model sizes ranging from 0.5B to 32B. We conduct extensive experiments and provide key insights into how evolutionary algorithms can effectively optimize neural networks. Our work challenges the prevailing assumption that gradient-based optimization is the only viable approach for training neural networks. It also holds significant potential to reduce the computational cost of training large language models, thereby enabling groups with limited computational resources to participate in deep learning research.

Memory-efficient optimization is critical for training increasingly large language models (LLMs). A popular strategy involves gradient low-rank projection, storing only the projected optimizer states, with GaLore being a representative example. However, a significant drawback of many such methods is their lack of convergence guarantees, as various low-rank projection approaches introduce inherent biases relative to the original optimization algorithms, which contribute to performance gaps compared to full-parameter training. Aiming to tackle this problem, this paper investigates the layerwise sampling technique for debiasing low-rank projection mechanisms. In particular, an instantiation of the paradigm gives rise to a novel and unbiased low-rank optimization method built upon GaLore's mechanism and the Muon algorithm, named GaLore Unbiased with Muon (GUM). We theoretically prove our method matches the convergence guarantees of the base Muon algorithm while preserving the memory efficiency of low-rank techniques. Empirical experiments on LLM fine-tuning and pretraining also demonstrate non-trivial improvements over GaLore and even better performance than full-parameter training. Further investigation shows that the improvement of this technique comes from a more uniform distribution of knowledge inside layers, leading to more efficient utilization of the model parameter space and better memorization.

Fine-tuning Large Language Models with untrusted data exposes models to backdoor attacks, where poisoned samples cause targeted misbehavior. Existing sample-filtering defenses rely on clustering, which requires sufficient data and can fail at extreme poison ratios. We propose GradSentry ({Grad}ient {Sentry}), a backdoor sample filtering method based on the spectral entropy of per-sample gradients. Our key finding is that poisoned samples produce gradients with higher spectral entropy compared to clean samples. GradSentry captures output-altering backdoor signatures using per-sample gradient spectra, avoiding pairwise sample comparisons and clustering during feature construction. Importantly, our method is training-agnostic: it works for both parameter-efficient fine-tuning methods like LoRA and full-parameter tuning, as the gradient analysis operates independently of which parameters are being updated during training. GradSentry requires no clustering, operates effectively across all poison ratios (1%--90%), and introduces minimal computational overhead (20-50ms per sample for 7B model). Evaluation on four QA datasets and four attack types demonstrates the effectiveness of spectral entropy for backdoor detection. Code is available at https://github.com/dongdongzhaoUP/GradSentry.

Training Large Language Models (LLMs) presents significant memory challenges, predominantly due to the growing size of weights and optimizer states. Common memory-reduction approaches, such as low-rank adaptation (LoRA), add a trainable low-rank matrix to the frozen pre-trained weight in each layer, reducing trainable parameters and optimizer states. However, such approaches typically underperform training with full-rank weights in both pre-training and fine-tuning stages since they limit the parameter search to a low-rank subspace and alter the training dynamics, and further, may require full-rank warm start. In this work, we propose Gradient Low-Rank Projection (GaLore), a training strategy that allows full-parameter learning but is more memory-efficient than common low-rank adaptation methods such as LoRA. Our approach reduces memory usage by up to 65.5% in optimizer states while maintaining both efficiency and performance for pre-training on LLaMA 1B and 7B architectures with C4 dataset with up to 19.7B tokens, and on fine-tuning RoBERTa on GLUE tasks. Our 8-bit GaLore further reduces optimizer memory by up to 82.5% and total training memory by 63.3%, compared to a BF16 baseline. Notably, we demonstrate, for the first time, the feasibility of pre-training a 7B model on consumer GPUs with 24GB memory (e.g., NVIDIA RTX 4090) without model parallel, checkpointing, or offloading strategies.

Tool-using large language model (LLM) agents produce long, multi-turn trajectories, making gradient-based post-training memory-intensive. Evolution strategies (ES) enable memory-efficient full-parameter post-training without backpropagation and can eventually match the performance of gradient-based reinforcement learning (RL). However, resource-constrained settings typically offer only a few GPUs, so the high GPU-hour requirements of ES translate into prohibitively long training times. To address this, we introduce Cooperative Parameter-subspace Evolution Strategy (CoPES), a cooperative coevolutionary method that decomposes the full parameter space into lower-dimensional subspaces and searches over them cooperatively to improve optimization efficiency. We post-train a Qwen3.5-4B tool-using agent for the math task and evaluate it on five benchmarks of varying difficulty. Under the GPU-hour budget of full-parameter GRPO's best validation checkpoint, CoPES recovers 92% of GRPO's validation-accuracy gain, versus 67% for standard ES, while its theoretical GPU memory requirement is less than one-eighth that of full-parameter GRPO. It consistently outperforms standard ES and LoRA-based GRPO on all evaluated pass@k metrics across the five benchmarks. Additional experiments further show the advantage of CoPES on the question-answering task. These results demonstrate an improved trade-off between memory requirements and training time for agentic LLM post-training under resource constraints. The code is open-sourced in https://github.com/MetaronWang/CoPES

On-policy distillation (OPD) uses teacher correction on student-generated responses. Full-vocabulary correction can provide important corrections even for tokens that the student assigns low probability, but backpropagating through all token logits becomes memory-intensive for long sequences. Existing memory-saving approaches estimate corrections from sampled tokens or restrict supervision to the student's TopK tokens, introducing sampling noise or changing the full-vocabulary correction. We introduce SparseOPD, which uses full-vocabulary teacher correction to determine which corrections matter before selecting the token logits to differentiate. SparseOPD first constructs the full-vocabulary correction without retaining its backward graph, then selects tokens by correction magnitude rather than student probability. Signed residual compensation preserves the total promoting and suppressing correction mass, while correction-aware budget allocation distributes the sparse support across positions. Finally, the update backpropagates only through the selected token logits. Across six task--scale settings spanning mathematics, chemistry QA, and multimodal reasoning, SparseOPD outperforms Sampled Token and TopK in task-average accuracy and matches or exceeds Full Vocabulary. Gradient cosine similarity reaches 99\% on 4B mathematics, while 8K full-parameter profiling shows 70.5\% lower backward memory.

Modern language-model training is increasingly exposed to instability, degraded runs, and wasted compute, especially under aggressive learning-rate, scale, and runtime-stress conditions. This paper introduces Learn-by-Wire Guard (LBW-Guard), a bounded autonomous training-control governance layer that operates above AdamW. Rather than replacing the optimizer update rule, LBW-Guard observes training telemetry, interprets instability-sensitive regimes, and applies bounded control to optimizer execution while preserving fixed training objectives. We evaluate LBW-Guard in a Qwen2.5-centered stress-and-robustness suite using WikiText-103, with Qwen2.5-7B as the empirical anchor, model-size comparisons against Qwen2.5-3B and Qwen2.5-14B, learning-rate stress tests, gradient-clipping baselines, and a no-LoRA TinyLlama-1B full-parameter sanity check. In the 7B reference setting, LBW-Guard reduces final perplexity from 13.21 to 10.74, an 18.7% improvement, while reducing end-to-end time from 392.54s to 357.02s, a 1.10x speedup. Under stronger learning-rate stress, AdamW degrades to 1885.24 final perplexity at LR=3e-3 and 659.76 at LR=1e-3, whereas LBW-Guard remains trainable at 11.57 and 10.33, respectively. Gradient-clipping baselines do not reproduce this effect. These results support a scoped systems conclusion that stability-sensitive LLM training can benefit from a governance plane above the optimizer. LBW-Guard provides evidence that bounded runtime control can preserve productive compute under stress while remaining distinct from optimizer replacement and local gradient suppression.

With the growing size of pre-trained models, full fine-tuning and storing all the parameters for various downstream tasks is costly and infeasible. In this paper, we propose a new parameter-efficient fine-tuning method, Gradient-based Parameter Selection (GPS), demonstrating that only tuning a few selected parameters from the pre-trained model while keeping the remainder of the model frozen can generate similar or better performance compared with the full model fine-tuning method. Different from the existing popular and state-of-the-art parameter-efficient fine-tuning approaches, our method does not introduce any additional parameters and computational costs during both the training and inference stages. Another advantage is the model-agnostic and non-destructive property, which eliminates the need for any other design specific to a particular model. Compared with the full fine-tuning, GPS achieves 3.33% (91.78% vs. 88.45%, FGVC) and 9.61% (73.1% vs. 65.57%, VTAB) improvement of the accuracy with tuning only 0.36% parameters of the pre-trained model on average over 24 image classification tasks; it also demonstrates a significant improvement of 17% and 16.8% in mDice and mIoU, respectively, on medical image segmentation task. Moreover, GPS achieves state-of-the-art performance compared with existing PEFT methods.

Low-rank adaptation, also known as LoRA, has emerged as a prominent method for parameter-efficient fine-tuning of foundation models. Despite its computational efficiency, LoRA still yields inferior performance compared to full fine-tuning. In this paper, we first uncover a fundamental connection between the optimization processes of LoRA and full fine-tuning: using LoRA for optimization is mathematically equivalent to full fine-tuning using a low-rank gradient for parameter updates. And this low-rank gradient can be expressed in terms of the gradients of the two low-rank matrices in LoRA. Leveraging this insight, we introduce LoRA-Pro, a method that enhances LoRA's performance by strategically adjusting the gradients of these low-rank matrices. This adjustment allows the low-rank gradient to more accurately approximate the full fine-tuning gradient, thereby narrowing the performance gap between LoRA and full fine-tuning. Furthermore, we theoretically derive the optimal solutions for adjusting the gradients of the low-rank matrices, applying them during fine-tuning in LoRA-Pro. We conduct extensive experiments across natural language understanding, dialogue generation, mathematical reasoning, code generation, and image classification tasks, demonstrating that LoRA-Pro substantially improves LoRA's performance, effectively narrowing the gap with full fine-tuning. Code is publicly available at https://github.com/mrflogs/LoRA-Pro.

Recent years have witnessed an increasing interest in deploying LLMs on resource-constrained devices, among which quantization has emerged as a promising lightweight technique that converts full-precision model weights and activations into lower-bit formats. Existing weight quantization approaches can be roughly divided into three categories: Post-Training Quantization (PTQ) that calibrates quantized parameters on a small dataset without retraining but suffers from severe performance degradation below 4-bit, Quantization-Aware Training (QAT) that searches low-bit parameters using surrogate gradients but demands substantial computational resources, and Quantization-Aware Distillation that integrates QAT with knowledge transfer from a full-precision teacher but manually selects features to distill and relies heavily on teacher-specific data. In this paper, we propose EdgeRazor, a lightweight framework for LLMs with mixed-precision and extremely low-bit weight quantization. The EdgeRazor framework contains three modules: Mixed-Precision Quantization-Aware Distillation for the fine-grained control of precision, Adaptive Feature Distillation that derives an n-bit student from its 16-bit teacher, and Entropy-Aware KL Divergence on both human-annotated and distilled datasets, whose forward-reverse balance is determined solely by the teacher's output distribution. Empirical investigations of EdgeRazor are conducted on base, instruction-tuned, and multimodal LLMs. Notably, EdgeRazor with 1.88-bit surpasses all contenders with the 3-bit precision, especially outperforms the leading 2-bit PTQ methods by 11.3 points, within a 4-10times lower training budget than the leading QAT approach. EdgeRazor delivers higher compression ratios at all bit width; the 1.58-bit Qwen3-0.6B reduces storage from 1.41 GB to 0.28 GB while accelerating decoding by 15.1times relative to the 16-bit baseline.

We study Stochastic Gradient Descent with AdaGrad stepsizes: a popular adaptive (self-tuning) method for first-order stochastic optimization. Despite being well studied, existing analyses of this method suffer from various shortcomings: they either assume some knowledge of the problem parameters, impose strong global Lipschitz conditions, or fail to give bounds that hold with high probability. We provide a comprehensive analysis of this basic method without any of these limitations, in both the convex and non-convex (smooth) cases, that additionally supports a general ``affine variance'' noise model and provides sharp rates of convergence in both the low-noise and high-noise~regimes.

Successor Features (SF) combined with Generalized Policy Improvement (GPI) provide a robust framework for transfer learning in Reinforcement Learning (RL) by decoupling environment dynamics from reward functions. However, standard SF learning methods typically rely on semi-gradient Temporal Difference (TD) updates. When combined with non-linear function approximation, semi-gradient methods lack robust convergence guarantees and can lead to instability, particularly in the multi-task setting where accurate feature estimation is critical for effective GPI. Inspired by Full Gradient DQN, we propose Full-Gradient Successor Feature Representations Q-Learning (FG-SFRQL), an algorithm that optimizes the successor features by minimizing the full Mean Squared Bellman Error. Unlike standard approaches, our method computes gradients with respect to parameters in both the online and target networks. We provide a theoretical proof of almost-sure convergence for FG-SFRQL and demonstrate empirically that minimizing the full residual leads to superior sample efficiency and transfer performance compared to semi-gradient baselines in both discrete and continuous domains.

Data-parallel (DP) training with synchronous all-reduce is a dominant paradigm for full-parameter fine-tuning of large language models (LLMs). While parameter synchronization guarantees numerical equivalence of model weights after each iteration, it does not necessarily imply alignment of worker-level optimization dynamics before gradient aggregation. This paper identifies and studies this latent mismatch, termed silent inconsistency, where cross-worker divergence in losses and gradients can remain invisible under conventional aggregated monitoring signals. We propose a lightweight, model-agnostic diagnostic framework that quantifies worker-level consistency using training signals readily available in standard pipelines. Specifically, we introduce three complementary metrics: loss dispersion, gradient-norm dispersion, and gradient-direction consistency measured by inter-worker cosine similarity. The proposed metrics incur negligible overhead and require no modification to model architecture, synchronization mechanisms, or optimization algorithms. We validate the framework by fully fine-tuning the 1B-parameter openPangu-Embedded-1B-V1.1 model on the tatsu-lab/alpaca dataset using an 8-NPU DP setup, under controlled perturbations of cross-rank stochasticity. Experimental results show that progressively desynchronized data shuffling and random seeds lead to substantial increases in loss/gradient dispersion and reduced directional alignment, despite smooth globally averaged loss curves. These findings demonstrate that the proposed indicators provide actionable visibility into hidden instability modes in large-scale DP fine-tuning, enabling more reliable diagnosis and configuration assessment.

Most downstream adaptation methods tune all or part of the parameters of pre-trained models (PTMs) through gradient descent, where the tuning cost increases linearly with the growth of the model size. By contrast, gradient-free methods only require the forward computation of the PTM to tune the prompt, retaining the benefits of efficient tuning and deployment. Though, past work on gradient-free tuning often introduces gradient descent to seek a good initialization of prompt and lacks versatility across tasks and PTMs. In this paper, we present BBTv2, an improved version of Black-Box Tuning, to drive PTMs for few-shot learning. We prepend continuous prompts to every layer of the PTM and propose a divide-and-conquer gradient-free algorithm to optimize the prompts at different layers alternately. Extensive experiments across various tasks and PTMs show that BBTv2 can achieve comparable performance to full model tuning and state-of-the-art parameter-efficient methods (e.g., Adapter, LoRA, BitFit, etc.) under few-shot settings while maintaining much fewer tunable parameters.

Large Language Models (LLMs) have shown remarkable performance across various tasks, but the escalating demands on computational resources pose significant challenges, particularly in the extensive utilization of full fine-tuning for downstream tasks. To address this, parameter-efficient fine-tuning (PEFT) methods have been developed, but they often underperform compared to full fine-tuning and struggle with memory efficiency. In this work, we introduce Gradient Weight-Normalized Low-Rank Projection (GradNormLoRP), a novel approach that enhances both parameter and memory efficiency while maintaining comparable performance to full fine-tuning. GradNormLoRP normalizes the weight matrix to improve gradient conditioning, facilitating better convergence during optimization. Additionally, it applies low-rank approximations to the weight and gradient matrices, significantly reducing memory usage during training. Extensive experiments demonstrate that our 8-bit GradNormLoRP reduces optimizer memory usage by up to 89.5% and enables the pre-training of large LLMs, such as LLaMA 7B, on consumer-level GPUs like the NVIDIA RTX 4090, without additional inference costs. Moreover, GradNormLoRP outperforms existing low-rank methods in fine-tuning tasks. For instance, when fine-tuning the RoBERTa model on all GLUE tasks with a rank of 8, GradNormLoRP achieves an average score of 80.65, surpassing LoRA's score of 79.23. These results underscore GradNormLoRP as a promising alternative for efficient LLM pre-training and fine-tuning. Source code: https://github.com/Jhhuangkay/Gradient-Weight-normalized-Low-rank-Projection-for-Efficient-LLM-Training

Machine unlearning seeks to remove the influence of designated training data from a trained model without retraining from scratch. Retrain-free methods such as Selective Synaptic Dampening (SSD) and its label-free variant LFSSD avoid full retraining but still require backpropagation and parameter importance computed over the entire dataset. We ask: what happens when a deletion request arrives with only a few images of the class to be forgotten? To answer this question, we introduce UnAct, a gradient-free class-unlearning method that needs only forward passes over the forget images. UnAct scores late-layer units by their responses, attenuates the most responsive connections, and repeats this for up to 20 rounds using no gradients, no labels, and no retained data. On ResNet-18 trained with CIFAR-10, CIFAR-20, and CIFAR-100, UnAct is competitive with SSD and LFSSD when forgetting entire classes and, unlike them, never collapses the network when forget data is scarce. On ResNet-18, across all tested sizes, UnAct's retain accuracy stays within 2.5 points of retraining, while SSD and LFSSD, at their full-class operating points, lose up to 86 points on some classes. With five forget images on CIFAR-10, UnAct's distance to retraining is 0.21 points, against 67 for LFSSD and 90 for SSD, and re-selecting SSD's threshold at each size with an oracle does not close the gap. In preliminary transfer to ViT-B/16, UnAct's distance to retraining is 11.5 against 33.7 for SSD, and a request is 19x faster than SSD when SSD computes its importance at request time. The code is available at https://github.com/abdulmuizz0903/UnAct

Parallel implementations of stochastic gradient descent (SGD) have received significant research attention, thanks to excellent scalability properties of this algorithm, and to its efficiency in the context of training deep neural networks. A fundamental barrier for parallelizing large-scale SGD is the fact that the cost of communicating the gradient updates between nodes can be very large. Consequently, lossy compression heuristics have been proposed, by which nodes only communicate quantized gradients. Although effective in practice, these heuristics do not always provably converge, and it is not clear whether they are optimal. In this paper, we propose Quantized SGD (QSGD), a family of compression schemes which allow the compression of gradient updates at each node, while guaranteeing convergence under standard assumptions. QSGD allows the user to trade off compression and convergence time: it can communicate a sublinear number of bits per iteration in the model dimension, and can achieve asymptotically optimal communication cost. We complement our theoretical results with empirical data, showing that QSGD can significantly reduce communication cost, while being competitive with standard uncompressed techniques on a variety of real tasks. In particular, experiments show that gradient quantization applied to training of deep neural networks for image classification and automated speech recognition can lead to significant reductions in communication cost, and end-to-end training time. For instance, on 16 GPUs, we are able to train a ResNet-152 network on ImageNet 1.8x faster to full accuracy. Of note, we show that there exist generic parameter settings under which all known network architectures preserve or slightly improve their full accuracy when using quantization.

Training neural networks requires significant computational resources and energy. Methods like mixed-precision and quantization-aware training reduce bit usage, yet they still depend heavily on computationally expensive gradient-based optimization. In this work, we propose a paradigm shift: eliminate gradients altogether. One might hope that, in a finite quantized space, finding optimal weights with out gradients would be easier but we theoretically prove that this problem is NP-hard even in simple settings where the continuous case is efficiently solvable. To address this, we introduce a novel heuristic optimization framework that avoids full weight updates and significantly improves efficiency. Empirically, our method achieves performance comparable to that of full-precision gradient-based training on standard datasets and architectures, while using up to 3x less energy and requiring up to 5x fewer parameter updates.

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

Modern Large Language Models (LLMs) are composed of matrices with billions of elements, making their storage and processing quite demanding in terms of computational resources and memory usage. Being significantly large, such matrices can often be expressed in low-rank format with potential to relax resource requirements. Unlike prior works which focus on developing novel matrix decomposition algorithms, in this work we first study the emergence of low-rank structures across matrices within different layers of LLMs and establish a consequential relationship between the gradient dynamics and emerging low-rank expressiveness of matrices. Our findings reveal that different layers exhibit varying levels of converged low-rank structure, necessitating a non-uniform rank reduction across them to minimize performance drop due to compression. In view of that, we present Weight Low-Rank Projection (WeLore) that unifies weight compression and memory-efficient fine-tuning as ONE, in a data-agnostic and one-shot way. WeLore capitalizes the heavy-tail distribution of singular values to identify a suitable rank reduction ratio for matrices within LLMs. Going beyond only as a compression technique, WeLore categorizes weight matrices into Low-rank Components (LRCs) and Non-Low-rank Components (N-LRCs) based on their ability to express themselves as low-rank. Our gradient perspective and extensive experiments illustrate that LRCs tend to have better finetuning capabilities and can closely mimic (sometimes outperform) the training loss trajectory and performance of full-finetuning with notable memory and compute footprint reduction. For example, finetuning a 50\% compressed LLaMa-2 7B model using only a fraction of parameters in LRCs (WeLore) can outperform its full finetuning with ~3x better throughput and ~0.6x GPU requirement. Our codes are available at https://github.com/VITA-Group/welore

Developing seamless, high-performance, native intelligent full-duplex Spoken Language Models (SLMs) remains a critical challenge and long-standing goal for the speech and NLP community. Despite notable progress, recent endeavors are fundamentally constrained by severe modality interference, which causes substantial knowledge degradation and compromises semantic integrity -- ultimately making full-duplex SLMs feel unnatural and unintelligent. In this paper, through an exhaustive fine-grained analysis of model optimization dynamics, we uncover the root cause of such performance degradation, revealing that modality interference arises from inherent gradient conflicts between acoustic and semantic modeling when the two modalities are forced to share a deep parameter space. Guided by this key insight, we introduce Lychee-FD, a native end-to-end full-duplex framework designed to mitigate modality interference. Importantly, we propose a hierarchical parameter separation strategy that decouples conflicting modalities in deep layers while preserving cross-modality coherence via a dedicated semantic alignment channel. Extensive experiments on multiple full-duplex benchmarks demonstrate that our method significantly advances the state of the art, yielding substantial improvements in both speech intelligence (+7.4% on Spoken QA) and full-duplex interaction fluidity (+28.5% on FullDuplexBench 1.5) without compromising inference efficiency. To the best of our knowledge, this work is the first to achieve two key advances: 1) uncovering and elucidating the root cause of modality interference in full-duplex SLMs, and 2) designing an elegant hierarchical model together with a practical solution for seamless, high-performance, native intelligent full-duplex SLMs.

Modern pretrained vision models achieve strong accuracy but demand substantial GPU memory for fine-tuning, making edge deployment impractical. This paper compares five parameter-efficient fine-tuning (PEFT) methods (Full FT, LoRA, AdaLoRA, QLoRA, BitFit) on Transformers- (ViT-Small, TinyViT) and Mamba-based vision backbones (Vim-Small, MambaVision-T) under an on-device VRAM budget (e.g., 2 GB), together with three gradient-checkpointing strategies (none, static, and a proposed memory-budget-aware adaptive algorithm); and we evaluate three families of foundation-model baselines: zero-shot contrastive vision language models (OpenCLIP, SigLIP), self-supervised vision backbones with lightweight evaluation protocols (DINOv2), and autoregressive VLMs for prompt-based classification (PaliGemma, MobileVLM, SmolVLM). Experiments on CIFAR-100 and DTD report accuracy, training time, energy, and the NetScore family of multi-objective metrics, which we extend with two deployment-aware variants. QLoRA and BitFit cut energy 20-30% at a 1-2% accuracy cost; the adaptive algorithm reduces peak memory 43-79% with 9-30% energy overhead. DINOv2 surpasses fine-tuned models on CIFAR-100 (0.917 vs. 0.897) at a fraction of the energy, while small autoregressive VLMs remain uncompetitive.

Unlearning in large foundation models (e.g., LLMs) is essential for enabling dynamic knowledge updates, enforcing data deletion rights, and correcting model behavior. However, existing unlearning methods often require full-model fine-tuning or access to the original training data, which limits their scalability and practicality. In this work, we introduce Recover-to-Forget (R2F), a novel framework for efficient unlearning in LLMs based on reconstructing full-model gradient directions from low-rank LoRA adapter updates. Rather than performing backpropagation through the full model, we compute gradients with respect to LoRA parameters using multiple paraphrased prompts and train a gradient decoder to approximate the corresponding full-model gradients. To ensure applicability to larger or black-box models, the decoder is trained on a proxy model and transferred to target models. We provide a theoretical analysis of cross-model generalization and demonstrate that our method achieves effective unlearning while preserving general model performance. Experimental results demonstrate that R2F offers a scalable and lightweight alternative for unlearning in pretrained LLMs without requiring full retraining or access to internal parameters.

Test-time training (TTT) adapts language models through gradient-based updates at inference. But is adaptation the right strategy? We study compute-optimal test-time strategies for verifiable execution-grounded (VEG) tasks, domains like GPU kernel optimization where a deterministic evaluator provides dense, continuous reward signals. Using KernelBench as our testbed and a 120B-parameter model (GPT-OSS-120B with LoRA adaptation), we find that search outperforms minimal adaptation (1-5 gradient steps): Best-of-N sampling achieves 90% task success (18/20 tasks) at K=64 across the full KernelBench L1 eval set while TTT's best checkpoint reaches only 30.6% (3-seed mean), with TTT's "equivalent K" falling below 1, worse than single-sample inference. The failure mode is over-sharpening: gradient updates collapse diversity toward mediocre solutions rather than discovering optimal ones. Our main contribution is surprisal-guided selection: selecting the highest-surprisal (lowest-confidence) correct sample yields 80% success vs. 50% for most-confident selection, a 30% improvement. Extending to surprisal-guided-top3 matches oracle performance at 100%. This zero-cost strategy, validated through length-controlled analysis, recovers oracle performance. For dense-reward VEG tasks, compute should be allocated to sample diversity and intelligent selection rather than gradient adaptation. The surprisal-guided selection principle may generalize to other execution-grounded domains where optimal solutions occupy the distribution tail.

We revisit dataset distillation from an outcome-centric perspective. Rather than aligning process surrogates (per-step gradients or training trajectories), Influence Matching (Inf-Match) aligns the final outcome of training: it learns a compact synthetic set whose effect on the converged parameters matches that of the full dataset. Concretely, we introduce a fully differentiable, sample-level influence estimator that quantifies parameter shifts from adding or removing data, without time-consuming inverse-Hessian products or convexity assumptions. The estimator runs in linear time by unrolling the optimization dynamics and applying a first-order Taylor approximation. We then learn the synthetic set by minimizing the mismatch between its influence and that of the real dataset, yielding outcome alignment rather than heuristic process imitation. Inf-Match delivers the best accuracy across standard classification benchmarks. For instance, on Tiny-ImageNet (IPC=10), Inf-Match attains 31.5\%, a +4.7\% improvement over NCFM. Beyond classification, Inf-Match scales to vision-language distillation on Flickr30K, outperforming strong process-matching baselines. For instance, with 200 to 1000 synthetic samples, our method achieved a leading impressive average on image/text retrieval tasks, higher than NCFM by 2.5\%. The code will be released via https://github.com/hrtan/infmatch.

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.

Bilevel optimization has been recently revisited for designing and analyzing algorithms in hyperparameter tuning and meta learning tasks. However, due to its nested structure, evaluating exact gradients for high-dimensional problems is computationally challenging. One heuristic to circumvent this difficulty is to use the approximate gradient given by performing truncated back-propagation through the iterative optimization procedure that solves the lower-level problem. Although promising empirical performance has been reported, its theoretical properties are still unclear. In this paper, we analyze the properties of this family of approximate gradients and establish sufficient conditions for convergence. We validate this on several hyperparameter tuning and meta learning tasks. We find that optimization with the approximate gradient computed using few-step back-propagation often performs comparably to optimization with the exact gradient, while requiring far less memory and half the computation time.

We introduce a new tool for interpreting neural net responses, namely full-gradients, which decomposes the neural net response into input sensitivity and per-neuron sensitivity components. This is the first proposed representation which satisfies two key properties: completeness and weak dependence, which provably cannot be satisfied by any saliency map-based interpretability method. For convolutional nets, we also propose an approximate saliency map representation, called FullGrad, obtained by aggregating the full-gradient components. We experimentally evaluate the usefulness of FullGrad in explaining model behaviour with two quantitative tests: pixel perturbation and remove-and-retrain. Our experiments reveal that our method explains model behaviour correctly, and more comprehensively than other methods in the literature. Visual inspection also reveals that our saliency maps are sharper and more tightly confined to object regions than other methods.

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

Modern training on a new task often starts from a previously trained model rather than from scratch, raising the question of how this initialization affects the subsequent training trajectory. Classical implicit-bias results characterize the direction selected by prolonged training, but this direction alone does not provide information regarding the intermediate behavior. We address this question through a geometric approximation of full-batch logistic gradient descent (GD) trajectories on strictly linearly separable data, with large initialization of scale R motivated by prior training. From any limiting normalized initial position, we use minimum-norm projection rules to construct a unique continuous ideal path consisting of finitely many linear segments. The path has two stages: negative-margin correction followed by minimum-margin growth. We prove that, after an explicit two-stage time reparameterization, the fixed-step GD trajectory divided by R converges uniformly to this path on every fixed parameter interval as Rtoinfty. Further, our quantitative error bounds account for initialization perturbations and the transition between stages. This approximation provides asymptotic formulas for peak evaluation loss and cumulative training loss. In particular, peak evaluation loss can grow linearly in R even when both endpoint losses tend to zero. The cumulative losses in the correction and margin-growth stages, normalized by R^2 and R, respectively, converge to explicit limits. Experiments on controlled geometries and fixed image features complement our theoretical results.

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).

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.

Hyperparameter tuning can dramatically impact training stability and final performance of large-scale models. Recent works on neural network parameterisations, such as μP, have enabled transfer of optimal global hyperparameters across model sizes. These works propose an empirical practice of search for optimal global base hyperparameters at a small model size, and transfer to a large size. We extend these works in two key ways. To handle scaling along most important scaling axes, we propose the Complete^{(d)} Parameterisation that unifies scaling in width and depth -- using an adaptation of CompleteP -- as well as in batch-size and training duration. Secondly, with our parameterisation, we investigate per-module hyperparameter optimisation and transfer. We characterise the empirical challenges of navigating the high-dimensional hyperparameter landscape, and propose practical guidelines for tackling this optimisation problem. We demonstrate that, with the right parameterisation, hyperparameter transfer holds even in the per-module hyperparameter regime. Our study covers an extensive range of optimisation hyperparameters of modern models: learning rates, AdamW parameters, weight decay, initialisation scales, and residual block multipliers. Our experiments demonstrate significant training speed improvements in Large Language Models with the transferred per-module hyperparameters.

Most models in machine learning contain at least one hyperparameter to control for model complexity. Choosing an appropriate set of hyperparameters is both crucial in terms of model accuracy and computationally challenging. In this work we propose an algorithm for the optimization of continuous hyperparameters using inexact gradient information. An advantage of this method is that hyperparameters can be updated before model parameters have fully converged. We also give sufficient conditions for the global convergence of this method, based on regularity conditions of the involved functions and summability of errors. Finally, we validate the empirical performance of this method on the estimation of regularization constants of L2-regularized logistic regression and kernel Ridge regression. Empirical benchmarks indicate that our approach is highly competitive with respect to state of the art methods.

We propose a new dataset distillation algorithm using reparameterization and convexification of implicit gradients (RCIG), that substantially improves the state-of-the-art. To this end, we first formulate dataset distillation as a bi-level optimization problem. Then, we show how implicit gradients can be effectively used to compute meta-gradient updates. We further equip the algorithm with a convexified approximation that corresponds to learning on top of a frozen finite-width neural tangent kernel. Finally, we improve bias in implicit gradients by parameterizing the neural network to enable analytical computation of final-layer parameters given the body parameters. RCIG establishes the new state-of-the-art on a diverse series of dataset distillation tasks. Notably, with one image per class, on resized ImageNet, RCIG sees on average a 108% improvement over the previous state-of-the-art distillation algorithm. Similarly, we observed a 66% gain over SOTA on Tiny-ImageNet and 37% on CIFAR-100.

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

Low-rank pre-training and fine-tuning have recently emerged as promising techniques for reducing the computational and storage costs of large neural networks. Training low-rank parameterizations typically relies on conventional optimizers such as heavy ball momentum methods or Adam. In this work, we identify and analyze potential difficulties that these training methods encounter when used to train low-rank parameterizations of weights. In particular, we show that classical momentum methods can struggle to converge to a local optimum due to the geometry of the underlying optimization landscape. To address this, we introduce novel training strategies derived from dynamical low-rank approximation, which explicitly account for the underlying geometric structure. Our approach leverages and combines tools from dynamical low-rank approximation and momentum-based optimization to design optimizers that respect the intrinsic geometry of the parameter space. We validate our methods through numerical experiments, demonstrating faster convergence, and stronger validation metrics at given parameter budgets.

Loss landscape is a useful tool to characterize and compare neural network models. The main challenge for analysis of loss landscape for the deep neural networks is that they are generally highly non-convex in very high dimensional space. In this paper, we develop "the roughness"concept for understanding such landscapes in high dimensions and apply this technique to study two neural network models arising from solving differential equations. Our main innovation is the proposal of a well-defined and easy-to-compute roughness index (RI) which is based on the mean and variance of the (normalized) total variation for one-dimensional functions projected on randomly sampled directions. A large RI at the local minimizer hints an oscillatory landscape profile and indicates a severe challenge for the first-order optimization method. Particularly, we observe the increasing-then-decreasing pattern for RI along the gradient descent path in most models. We apply our method to two types of loss functions used to solve partial differential equations (PDEs) when the solution of PDE is parametrized by neural networks. Our empirical results on these PDE problems reveal important and consistent observations that the landscapes from the deep Galerkin method around its local minimizers are less rough than the deep Ritz method.

We study the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

Various tasks in data science are modeled utilizing the variational regularization approach, where manually selecting regularization parameters presents a challenge. The difficulty gets exacerbated when employing regularizers involving a large number of hyperparameters. To overcome this challenge, bilevel learning can be employed to learn such parameters from data. However, neither exact function values nor exact gradients with respect to the hyperparameters are attainable, necessitating methods that only rely on inexact evaluation of such quantities. State-of-the-art inexact gradient-based methods a priori select a sequence of the required accuracies and cannot identify an appropriate step size since the Lipschitz constant of the hypergradient is unknown. In this work, we propose an algorithm with backtracking line search that only relies on inexact function evaluations and hypergradients and show convergence to a stationary point. Furthermore, the proposed algorithm determines the required accuracy dynamically rather than manually selected before running it. Our numerical experiments demonstrate the efficiency and feasibility of our approach for hyperparameter estimation on a range of relevant problems in imaging and data science such as total variation and field of experts denoising and multinomial logistic regression. Particularly, the results show that the algorithm is robust to its own hyperparameters such as the initial accuracies and step size.

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

We develop a general mathematical framework to analyze scaling regimes and derive explicit analytic solutions for gradient flow (GF) in large learning problems. Our key innovation is a formal power series expansion of the loss evolution, with coefficients encoded by diagrams akin to Feynman diagrams. We show that this expansion has a well-defined large-size limit that can be used to reveal different learning phases and, in some cases, to obtain explicit solutions of the nonlinear GF. We focus on learning Canonical Polyadic (CP) decompositions of high-order tensors, and show that this model has several distinct extreme lazy and rich GF regimes such as free evolution, NTK and under- and over-parameterized mean-field. We show that these regimes depend on the parameter scaling, tensor order, and symmetry of the model in a specific and subtle way. Moreover, we propose a general approach to summing the formal loss expansion by reducing it to a PDE; in a wide range of scenarios, it turns out to be first-order and solvable by the method of characteristics. We observe a very good agreement of our theoretical predictions with experimental results.

Selecting hyperparameters in deep learning greatly impacts its effectiveness but requires manual effort and expertise. Recent works show that Bayesian model selection with Laplace approximations can allow to optimize such hyperparameters just like standard neural network parameters using gradients and on the training data. However, estimating a single hyperparameter gradient requires a pass through the entire dataset, limiting the scalability of such algorithms. In this work, we overcome this issue by introducing lower bounds to the linearized Laplace approximation of the marginal likelihood. In contrast to previous estimators, these bounds are amenable to stochastic-gradient-based optimization and allow to trade off estimation accuracy against computational complexity. We derive them using the function-space form of the linearized Laplace, which can be estimated using the neural tangent kernel. Experimentally, we show that the estimators can significantly accelerate gradient-based hyperparameter optimization.

Learning algorithms related to artificial neural networks and in particular for Deep Learning may seem to involve many bells and whistles, called hyper-parameters. This chapter is meant as a practical guide with recommendations for some of the most commonly used hyper-parameters, in particular in the context of learning algorithms based on back-propagated gradient and gradient-based optimization. It also discusses how to deal with the fact that more interesting results can be obtained when allowing one to adjust many hyper-parameters. Overall, it describes elements of the practice used to successfully and efficiently train and debug large-scale and often deep multi-layer neural networks. It closes with open questions about the training difficulties observed with deeper architectures.

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

A wide range of optimization problems can often be written in terms of generalized convex functions (GCFs). When this structure is present, it can convert certain nested bilevel objectives into single-level problems amenable to standard first-order optimization methods. We provide a new differentiable layer with a convex parameter space and show (Theorems 5.1 and 5.2) that it and its gradient are universal approximators for GCFs and their gradients. We demonstrate how this parameterization can be leveraged in practice by (i) learning optimal transport maps with general cost functions and (ii) learning optimal auctions of multiple goods. In both these cases, we show how our layer can be used to convert the existing bilevel or min-max formulations into single-level problems that can be solved efficiently with first-order methods.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

The loss landscapes of neural networks contain minima and saddle points that may be connected in flat regions or appear in isolation. We identify and characterize a special structure in the loss landscape: channels along which the loss decreases extremely slowly, while the output weights of at least two neurons, a_i and a_j, diverge to pminfinity, and their input weight vectors, w_i and w_j, become equal to each other. At convergence, the two neurons implement a gated linear unit: a_iσ(w_i cdot x) + a_jσ(w_j cdot x) rightarrow σ(w cdot x) + (v cdot x) σ'(w cdot x). Geometrically, these channels to infinity are asymptotically parallel to symmetry-induced lines of critical points. Gradient flow solvers, and related optimization methods like SGD or ADAM, reach the channels with high probability in diverse regression settings, but without careful inspection they look like flat local minima with finite parameter values. Our characterization provides a comprehensive picture of these quasi-flat regions in terms of gradient dynamics, geometry, and functional interpretation. The emergence of gated linear units at the end of the channels highlights a surprising aspect of the computational capabilities of fully connected layers.

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

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.

Deep learning has revolutionized industries like computer vision, natural language processing, and speech recognition. However, back propagation, the main method for training deep neural networks, faces challenges like computational overhead and vanishing gradients. In this paper, we propose a novel instant parameter update methodology that eliminates the need for computing gradients at each layer. Our approach accelerates learning, avoids the vanishing gradient problem, and outperforms state-of-the-art methods on benchmark data sets. This research presents a promising direction for efficient and effective deep neural network training.

Pre-training (PT) followed by fine-tuning (FT) is an effective method for training neural networks, and has led to significant performance improvements in many domains. PT can incorporate various design choices such as task and data reweighting strategies, augmentation policies, and noise models, all of which can significantly impact the quality of representations learned. The hyperparameters introduced by these strategies therefore must be tuned appropriately. However, setting the values of these hyperparameters is challenging. Most existing methods either struggle to scale to high dimensions, are too slow and memory-intensive, or cannot be directly applied to the two-stage PT and FT learning process. In this work, we propose an efficient, gradient-based algorithm to meta-learn PT hyperparameters. We formalize the PT hyperparameter optimization problem and propose a novel method to obtain PT hyperparameter gradients by combining implicit differentiation and backpropagation through unrolled optimization. We demonstrate that our method improves predictive performance on two real-world domains. First, we optimize high-dimensional task weighting hyperparameters for multitask pre-training on protein-protein interaction graphs and improve AUROC by up to 3.9%. Second, we optimize a data augmentation neural network for self-supervised PT with SimCLR on electrocardiography data and improve AUROC by up to 1.9%.

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.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

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.

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

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

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.

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true one, with precision growing only with the square root of the batch size. A theoretical justification is with the help of stochastic approximation theory. However, the conditions for the validity of this theory are not satisfied in the usual learning rate schedules. Batch processing is also difficult to combine with efficient second-order optimization methods. This proposal is based on another hypothesis: the loss minimum of the training set can be expected to be well-approximated by the minima of its subsets. Such subset minima can be computed in a fraction of the time necessary for optimizing over the whole training set. This hypothesis has been tested with the help of the MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks, optionally extended by training data augmentation. The experiments have confirmed that results equivalent to conventional training can be reached. In summary, even small subsets are representative if the overdetermination ratio for the given model parameter set sufficiently exceeds unity. The computing expense can be reduced to a tenth or less.

Conventional wisdom in deep learning states that increasing depth improves expressiveness but complicates optimization. This paper suggests that, sometimes, increasing depth can speed up optimization. The effect of depth on optimization is decoupled from expressiveness by focusing on settings where additional layers amount to overparameterization - linear neural networks, a well-studied model. Theoretical analysis, as well as experiments, show that here depth acts as a preconditioner which may accelerate convergence. Even on simple convex problems such as linear regression with ell_p loss, p>2, gradient descent can benefit from transitioning to a non-convex overparameterized objective, more than it would from some common acceleration schemes. We also prove that it is mathematically impossible to obtain the acceleration effect of overparametrization via gradients of any regularizer.

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.

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.

This paper rigorously shows how over-parameterization changes the convergence behaviors of gradient descent (GD) for the matrix sensing problem, where the goal is to recover an unknown low-rank ground-truth matrix from near-isotropic linear measurements. First, we consider the symmetric setting with the symmetric parameterization where M^* in R^{n times n} is a positive semi-definite unknown matrix of rank r ll n, and one uses a symmetric parameterization XX^top to learn M^*. Here X in R^{n times k} with k > r is the factor matrix. We give a novel Omega (1/T^2) lower bound of randomly initialized GD for the over-parameterized case (k >r) where T is the number of iterations. This is in stark contrast to the exact-parameterization scenario (k=r) where the convergence rate is exp (-Omega (T)). Next, we study asymmetric setting where M^* in R^{n_1 times n_2} is the unknown matrix of rank r ll min{n_1,n_2}, and one uses an asymmetric parameterization FG^top to learn M^* where F in R^{n_1 times k} and G in R^{n_2 times k}. Building on prior work, we give a global exact convergence result of randomly initialized GD for the exact-parameterization case (k=r) with an exp (-Omega(T)) rate. Furthermore, we give the first global exact convergence result for the over-parameterization case (k>r) with an exp(-Omega(alpha^2 T)) rate where alpha is the initialization scale. This linear convergence result in the over-parameterization case is especially significant because one can apply the asymmetric parameterization to the symmetric setting to speed up from Omega (1/T^2) to linear convergence. On the other hand, we propose a novel method that only modifies one step of GD and obtains a convergence rate independent of alpha, recovering the rate in the exact-parameterization case.

The lack of theoretical results for Layer Normalization and feedforward Hessians has left a gap in the study of Transformer optimization landscapes. We address this by deriving explicit second-order expressions for these components, thereby completing the Hessian characterization of full Transformer blocks. Our results generalize prior self-attention analyses and yield estimations for the role of each sublayer in curvature propagation. We demonstrate how these Hessian structures inform both convergence dynamics and the empirical scaling laws governing large-model performance. Further, we propose a Taylor-expansion-based framework for analyzing loss differences to quantify convergence trajectories. By extending Hessian theory to the full Transformer architecture, this work establishes a new foundation for theoretical and empirical investigations of optimization in large-scale deep learning.

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.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

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

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

An open question in the Deep Learning community is why neural networks trained with Gradient Descent generalize well on real datasets even though they are capable of fitting random data. We propose an approach to answering this question based on a hypothesis about the dynamics of gradient descent that we call Coherent Gradients: Gradients from similar examples are similar and so the overall gradient is stronger in certain directions where these reinforce each other. Thus changes to the network parameters during training are biased towards those that (locally) simultaneously benefit many examples when such similarity exists. We support this hypothesis with heuristic arguments and perturbative experiments and outline how this can explain several common empirical observations about Deep Learning. Furthermore, our analysis is not just descriptive, but prescriptive. It suggests a natural modification to gradient descent that can greatly reduce overfitting.

A variety of widely used optimization methods like SignSGD and Muon can be interpreted as instances of steepest descent under different norm-induced geometries. In this work, we study the implicit bias of mini-batch stochastic steepest descent in multi-class classification, characterizing how batch size, momentum, and variance reduction shape the limiting max-margin behavior and convergence rates under general entry-wise and Schatten-p norms. We show that, without momentum, worst-case convergence and successful classification can only be guaranteed with full-batch gradient. In contrast, momentum enables small-batch convergence to an approximate max-margin solution through a batch-momentum trade-off, though it slows convergence. This approach provides fully explicit, dimension-free rates that improve upon prior results. Moreover, we prove that variance reduction can recover the exact full-batch implicit bias for any batch size, albeit at a slower convergence rate. Finally, we further investigate the batch-size-one steepest descent without momentum, and reveal its convergence to a fundamentally different bias via a concrete data example, which reveals a key limitation of purely stochastic updates. Overall, our unified analysis clarifies when stochastic optimization aligns with full-batch behavior, and paves the way for perform deeper explorations of the training behavior of stochastic gradient steepest descent algorithms.

Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields.Neural networks are well-suited for PDE parameter estimation due to their capability to model function-to-function space transformations. While existing benchmarks of machine learning methods for PDEs primarily focus on the forward problem, there are no similar comprehensive studies and benchmark datasets on PDE inverse problems, i.e., mapping solution fields to underlying physical parameters. We fill this gap by introducing PDEInvBench, a comprehensive benchmark dataset consisting of numerical simulations for both time-dependent and time-independent PDEs across a wide range of physical behaviors and parameters. Our dataset includes evaluation splits that assess performance in both in-distribution and various out-of-distribution settings. Using our benchmark dataset, we comprehensively explore the design space of neural networks for PDE inverse problems along three key dimensions: (1) optimization procedures, analyzing the role of supervised, self-supervised, and test-time training objectives on performance, (2) problem representations, where we study the value of architectural choices with different inductive biases and various conditioning strategies, and (3) scaling, which we perform with respect to both model and data size. Our experiments reveal several practical insights: 1) neural networks perform best with a two-stage training procedure: initial supervision with PDE parameters followed by test-time fine-tuning using the PDE residual, 2) incorporating PDE derivatives as input features consistently improves accuracy, and 3) increasing the diversity of initial conditions in the training data yields greater performance gains than expanding the range of PDE parameters. We make our dataset and codebase publicly available.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

It is folklore that reusing training data more than once can improve the statistical efficiency of gradient-based learning. While this phenomenon has been extensively studied in linear regression, the benefit of multi-pass gradient descent (GD, which reuses all the data) over one-pass stochastic gradient descent (online SGD, which uses each data point only once) is not well-understood in nonlinear and non-convex settings, except for a loss modification mechanism achieved by the first two passes on the data. In this work, we consider learning a d-dimensional single-index model with a quadratic activation, for which it is known that one-pass SGD requires ngtrsim dlog d samples to achieve weak recovery. We first show that this log d factor in the sample complexity persists for full-batch spherical GD on the correlation loss; however, by simply truncating the activation, full-batch GD exhibits a favorable optimization landscape at n simeq d samples, thereby outperforming one-pass SGD (with the same activation) in statistical efficiency. We complement this result with a trajectory analysis of full-batch GD on the squared loss from small initialization, showing that n gtrsim d samples and T gtrsimlog d gradient steps suffice to achieve strong (exact) recovery.

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

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

We present an end-to-end pipeline for estimating stellar parameters from Sloan Digital Sky Survey Data Release 12 spectra using a fully connected multitask neural network with residual blocks, whose hyperparameters are tuned via Bayesian optimization. The preprocessing pipeline includes per-spectrum standardization, RobustScaler normalization of the target variables -- effective temperature T_{eff}, metallicity [Fe/H], and surface gravity log g -- and data augmentation via Gaussian noise injection. On a held-out test set, the model achieved Mean Absolute Errors (MAE) of 59.76~K for T_{eff}, 0.103~dex for [Fe/H], and 0.130~dex for log g. Normalized against the full-scale range of each parameter, these results represent range-normalized errors between 1% and 3%, achieved with a highly efficient model complexity of approximately 540,000 trainable parameters. These results demonstrate that a compact residual multitask architecture, combined with principled signal preprocessing, provides a parameter-efficient solution for nonlinear parameter estimation in large-scale spectral datasets. In particular, the proposed model achieves competitive performance with substantially lower complexity than deeper neural network baselines.

In the artificial neuron, I replace the dot product with the weighted Lehmer mean, which may emulate different cases of a generalized mean. The single neuron instance is replaced by a multiplet of neurons which have the same averaging weights. A group of outputs feed forward, in lieu of the single scalar. The generalization parameter is typically set to a different value for each neuron in the multiplet. I further extend the concept to a multiplet taken from the Gini mean. Derivatives with respect to the weight parameters and with respect to the two generalization parameters are given. Some properties of the network are investigated, showing the capacity to emulate the classical exclusive-or problem organically in two layers and perform some multiplication and division. The network can instantiate truncated power series and variants, which can be used to approximate different functions, provided that parameters are constrained. Moreover, a mean case slope score is derived that can facilitate a learning-rate novelty based on homogeneity of the selected elements. The multiplet neuron equation provides a way to segment regularization timeframes and approaches.

We propose ScaledGD(\lambda), a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, ScaledGD(\lambda) starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, ScaledGD(\lambda) is remarkably robust to ill-conditioning compared to vanilla gradient descent (GD) even with overprameterization. Specifically, we show that, under the Gaussian design, ScaledGD(\lambda) converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla GD which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

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 introduce Adam, an algorithm for first-order gradient-based optimization of stochastic objective functions, based on adaptive estimates of lower-order moments. The method is straightforward to implement, is computationally efficient, has little memory requirements, is invariant to diagonal rescaling of the gradients, and is well suited for problems that are large in terms of data and/or parameters. The method is also appropriate for non-stationary objectives and problems with very noisy and/or sparse gradients. The hyper-parameters have intuitive interpretations and typically require little tuning. Some connections to related algorithms, on which Adam was inspired, are discussed. We also analyze the theoretical convergence properties of the algorithm and provide a regret bound on the convergence rate that is comparable to the best known results under the online convex optimization framework. Empirical results demonstrate that Adam works well in practice and compares favorably to other stochastic optimization methods. Finally, we discuss AdaMax, a variant of Adam based on the infinity norm.

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.

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

Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

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

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

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

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

The optimization of multilayer neural networks typically leads to a solution with zero training error, yet the landscape can exhibit spurious local minima and the minima can be disconnected. In this paper, we shed light on this phenomenon: we show that the combination of stochastic gradient descent (SGD) and over-parameterization makes the landscape of multilayer neural networks approximately connected and thus more favorable to optimization. More specifically, we prove that SGD solutions are connected via a piecewise linear path, and the increase in loss along this path vanishes as the number of neurons grows large. This result is a consequence of the fact that the parameters found by SGD are increasingly dropout stable as the network becomes wider. We show that, if we remove part of the neurons (and suitably rescale the remaining ones), the change in loss is independent of the total number of neurons, and it depends only on how many neurons are left. Our results exhibit a mild dependence on the input dimension: they are dimension-free for two-layer networks and depend linearly on the dimension for multilayer networks. We validate our theoretical findings with numerical experiments for different architectures and classification tasks.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

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.

We introduce a new generative model where samples are produced via Langevin dynamics using gradients of the data distribution estimated with score matching. Because gradients can be ill-defined and hard to estimate when the data resides on low-dimensional manifolds, we perturb the data with different levels of Gaussian noise, and jointly estimate the corresponding scores, i.e., the vector fields of gradients of the perturbed data distribution for all noise levels. For sampling, we propose an annealed Langevin dynamics where we use gradients corresponding to gradually decreasing noise levels as the sampling process gets closer to the data manifold. Our framework allows flexible model architectures, requires no sampling during training or the use of adversarial methods, and provides a learning objective that can be used for principled model comparisons. Our models produce samples comparable to GANs on MNIST, CelebA and CIFAR-10 datasets, achieving a new state-of-the-art inception score of 8.87 on CIFAR-10. Additionally, we demonstrate that our models learn effective representations via image inpainting experiments.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.

Quantized neural network training optimizes a discrete, non-differentiable objective. The straight-through estimator (STE) enables backpropagation through surrogate gradients and is widely used. While previous studies have primarily focused on the properties of surrogate gradients and their convergence, the influence of quantization hyperparameters, such as bit width and quantization range, on learning dynamics remains largely unexplored. We theoretically show that in the high-dimensional limit, STE dynamics converge to a deterministic ordinary differential equation. This reveals that STE training exhibits a plateau followed by a sharp drop in generalization error, with plateau length depending on the quantization range. A fixed-point analysis quantifies the asymptotic deviation from the unquantized linear model. We also extend analytical techniques for stochastic gradient descent to nonlinear transformations of weights and inputs.

Learning models with categorical variables requires optimizing expectations over discrete distributions, a setting in which stochastic gradient-based optimization is challenging due to the non-differentiability of categorical sampling. A common workaround is to replace the discrete distribution with a continuous relaxation, yielding a smooth surrogate that admits reparameterized gradient estimates via the reparameterization trick. Building on this idea, we introduce ReDGE, a novel and efficient diffusion-based soft reparameterization method for categorical distributions. Our approach defines a flexible class of gradient estimators that includes the Straight-Through estimator as a special case. Experiments spanning latent variable models and inference-time reward guidance in discrete diffusion models demonstrate that ReDGE consistently matches or outperforms existing gradient-based methods. The code will be made available at https://github.com/samsongourevitch/redge.

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 work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

We introduce novel variants of momentum by incorporating the variance of the stochastic loss function. The variance characterizes the confidence or uncertainty of the local features of the averaged loss surface across the i.i.d. subsets of the training data defined by the mini-batches. We show two applications of the gradient of the variance of the loss function. First, as a bias to the conventional momentum update to encourage conformity of the local features of the loss function (e.g. local minima) across mini-batches to improve generalization and the cumulative training progress made per epoch. Second, as an alternative direction for "exploration" in the parameter space, especially, for non-convex objectives, that exploits both the optimistic and pessimistic views of the loss function in the face of uncertainty. We also introduce a novel data-driven stochastic regularization technique through the parameter update rule that is model-agnostic and compatible with arbitrary architectures. We further establish connections to probability distributions over loss functions and the REINFORCE policy gradient update with baseline in RL. Finally, we incorporate the new variants of momentum proposed into Adam, and empirically show that our methods improve the rate of convergence of training based on our experiments on the MNIST and CIFAR-10 datasets.

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

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.

Local loss-landscape stabilization under sample growth is typically measured either pointwise or through isotropic averaging in the full parameter space. Despite practical value, both choices probe directions that contribute little to the dominant local deformation of strongly anisotropic neural landscapes. We recast stabilization as an observational problem and introduce a unified family of criteria parameterized by an aggregation order and a probing distribution; within this family we propose a curvature-aligned criterion Δ_2^{(D)} that probes the loss increment field in the top-D eigenspace of the empirical Hessian near a trained solution. Solely from a local quadratic model, we prove that Δ_2^{(D)} preserves the O(k^{-2}) mean-squared rate of the full-space criterion while replacing ambient-dimension curvature dependence with dependence on the subspace dimension D; a corollary gives a closed-form spectral expression and a proposition identifies the top-D eigenspace as extremal within the eigenspace-aligned family. We also derive scalable estimators based on Hessian-vector products, subspace Monte Carlo, and a closed-form Gaussian-moment proxy. On a decoder-only transformer, a curvature-aligned probe occupying a tiny fraction of parameter space already reproduces the full-space mean-squared signal to within numerical noise throughout the validated local regime, and the closed-form estimator is orders of magnitude faster than direct Monte Carlo after subspace construction.

Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix preconditioning, such as Full-Matrix Adagrad (GGT) or Matrix-Free Approximate Curvature (M-FAC) suffer from massive storage costs when applied even to small-scale models, as they must store a sliding window of gradients, whose memory requirements are multiplicative in the model dimension. In this paper, we address this issue via a novel and efficient error-feedback technique that can be applied to compress preconditioners by up to two orders of magnitude in practice, without loss of convergence. Specifically, our approach compresses the gradient information via sparsification or low-rank compression before it is fed into the preconditioner, feeding the compression error back into future iterations. Experiments on deep neural networks show that this approach can compress full-matrix preconditioners to up to 99\% sparsity without accuracy loss, effectively removing the memory overhead of full-matrix preconditioners such as GGT and M-FAC. Our code is available at https://github.com/IST-DASLab/EFCP.