ICLR 2025 Papers

International Conference on Learning Representations

Decision breakdown

3,703papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Oral
    2135.8%
  • Spotlight
    38010.3%
  • Poster
    3,11084.0%

Browse all papers

Magnetic Preference Optimization: Achieving Last-iterate Convergence for Language Model Alignment

Mingzhi Wang, Chengdong Ma, Qizhi Chen, Linjian Meng, Yang Han, Jiancong Xiao, Zhaowei Zhang, Jing Huo, Weijie J Su, Yaodong Yang

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Self-play methods have demonstrated remarkable success in enhancing model capabilities across various domains. In the context of Reinforcement Learning from Human Feedback (RLHF), self-play not only boosts Large Language Model (LLM) performance but also overcomes the limitations of traditional Bradley-Terry (BT) model assumptions by finding the Nash equilibrium (NE) of a preference-based, two-player constant-sum game. However, existing methods either guarantee only average-iterate convergence, incurring high storage and inference costs, or converge to the NE of a regularized game, failing to accurately reflect true human preferences. In this paper, we introduce Magnetic Preference Optimization (MPO), a novel approach capable of achieving last-iterate convergence to the NE of the original game, effectively overcoming the limitations of existing methods. Building upon Magnetic Mirror Descent (MMD), MPO attains a linear convergence rate, making it particularly suitable for fine-tuning LLMs. To ensure our algorithm is both theoretically sound and practically viable, we present a simple yet effective implementation that adapts the theoretical insights to the RLHF setting. Empirical results demonstrate that MPO can significantly enhance the performance of LLMs, highlighting the potential of self-play methods in alignment.

Poster
$q$-exponential family for policy optimization

Lingwei Zhu, Haseeb Shah, Han Wang, Yukie Nagai, Martha White

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Policy optimization methods benefit from a simple and tractable policy parametrization, usually the Gaussian for continuous action spaces. In this paper, we consider a broader policy family that remains tractable: the $q$-exponential family. This family of policies is flexible, allowing the specification of both heavy-tailed policies ($q>1$) and light-tailed policies ($q<1$). This paper examines the interplay between $q$-exponential policies for several actor-critic algorithms conducted on both online and offline problems. We find that heavy-tailed policies are more effective in general and can consistently improve on Gaussian. In particular, we find the Student's t-distribution to be more stable than the Gaussian across settings and that a heavy-tailed $q$-Gaussian for Tsallis Advantage Weighted Actor-Critic consistently performs well in offline benchmark problems. In summary, we find that the Student's t policy a strong candidate for drop-in replacement to the Gaussian. Our code is available at \url{https://github.com/lingweizhu/qexp}.

Poster
Earlier Tokens Contribute More: Learning Direct Preference Optimization From Temporal Decay Perspective

Ruichen Shao, Bei Li, Gangao Liu, Yang Chen, ZhouXiang, Jingang Wang, Xunliang Cai, Peng Li

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Direct Preference Optimization (DPO) has gained attention as an efficient alternative to reinforcement learning from human feedback (RLHF) for aligning large language models (LLMs) with human preferences. Despite its advantages, DPO suffers from a length bias, generating responses longer than those from the reference model. Existing solutions like SimPO and SamPO address this issue but uniformly treat the contribution of rewards across sequences, overlooking temporal dynamics. To this end, we propose an enhanced preference optimization method that incorporates a temporal decay factor controlled by a gamma parameter. This dynamic weighting mechanism adjusts the influence of each reward based on its position in the sequence, prioritizing earlier tokens that are more critical for alignment. By adaptively focusing on more relevant feedback, our approach mitigates overfitting to less pertinent data and remains responsive to evolving human preferences. Experimental results on several benchmarks show that our approach consistently outperforms vanilla DPO by 5.9-8.8 points on AlpacaEval 2 and 3.3-9.7 points on Arena-Hard across different model architectures and sizes. Furthermore, additional experiments on mathematical and reasoning benchmarks (MMLU, GSM8K, and MATH) confirm that our method enhances performance without compromising general capabilities. Our codebase would be available at \url{https://github.com/LotuSrc/D2PO}.

Poster
Nonasymptotic Analysis of Stochastic Gradient Descent with the Richardson–Romberg Extrapolation

Marina Sheshukova, Denis Belomestny, Alain Oliviero Durmus, Eric Moulines, Alexey Naumov, Sergey Samsonov

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We address the problem of solving strongly convex and smooth minimization problems using stochastic gradient descent (SGD) algorithm with a constant step size. Previous works suggested to combine the Polyak-Ruppert averaging procedure with the Richardson-Romberg extrapolation to reduce the asymptotic bias of SGD at the expense of a mild increase of the variance. We significantly extend previous results by providing an expansion of the mean-squared error of the resulting estimator with respect to the number of iterations $n$. We show that the root mean-squared error can be decomposed into the sum of two terms: a leading one of order $\mathcal{O}(n^{-1/2})$ with explicit dependence on a minimax-optimal asymptotic covariance matrix, and a second-order term of order $\mathcal{O}(n^{-3/4})$, where the power $3/4$ is best known. We also extend this result to the higher-order moment bounds. Our analysis relies on the properties of the SGD iterates viewed as a time-homogeneous Markov chain. In particular, we establish that this chain is geometrically ergodic with respect to a suitably defined weighted Wasserstein semimetric.

Poster
Vertical Federated Learning with Missing Features During Training and Inference

Pedro Valdeira, Shiqiang Wang, Yuejie Chi

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Vertical federated learning trains models from feature-partitioned datasets across multiple clients, who collaborate without sharing their local data. Standard approaches assume that all feature partitions are available during both training and inference. Yet, in practice, this assumption rarely holds, as for many samples only a subset of the clients observe their partition. However, not utilizing incomplete samples during training harms generalization, and not supporting them during inference limits the utility of the model. Moreover, if any client leaves the federation after training, its partition becomes unavailable, rendering the learned model unusable. Missing feature blocks are therefore a key challenge limiting the applicability of vertical federated learning in real-world scenarios. To address this, we propose LASER-VFL, a vertical federated learning method for efficient training and inference of split neural network-based models that is capable of handling arbitrary sets of partitions. Our approach is simple yet effective, relying on the sharing of model parameters and on task-sampling to train a family of predictors. We show that LASER-VFL achieves a $\mathcal{O}({1}/{\sqrt{T}})$ convergence rate for nonconvex objectives and, under the Polyak-Łojasiewicz inequality, it achieves linear convergence to a neighborhood of the optimum. Numerical experiments show improved performance of LASER-VFL over the baselines. Remarkably, this is the case even in the absence of missing features. For example, for CIFAR-100, we see an improvement in accuracy of $19.3$\% when each of four feature blocks is observed with a probability of 0.5 and of $9.5$\% when all features are observed. The code for this work is available at https://github.com/Valdeira/LASER-VFL.

Poster
Few for Many: Tchebycheff Set Scalarization for Many-Objective Optimization

Xi Lin, Yilu Liu, Xiaoyuan Zhang, Fei Liu, Zhenkun Wang, Qingfu Zhang

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Multi-objective optimization can be found in many real-world applications where some conflicting objectives can not be optimized by a single solution. Existing optimization methods often focus on finding a set of Pareto solutions with different optimal trade-offs among the objectives. However, the required number of solutions to well approximate the whole Pareto optimal set could be exponentially large with respect to the number of objectives, which makes these methods unsuitable for handling many optimization objectives. In this work, instead of finding a dense set of Pareto solutions, we propose a novel Tchebycheff set scalarization method to find a few representative solutions (e.g., 5) to cover a large number of objectives (e.g., $>100$) in a collaborative and complementary manner. In this way, each objective can be well addressed by at least one solution in the small solution set. In addition, we further develop a smooth Tchebycheff set scalarization approach for efficient optimization with good theoretical guarantees. Experimental studies on different problems with many optimization objectives demonstrate the effectiveness of our proposed method.

Poster
Nonconvex Stochastic Optimization under Heavy-Tailed Noises: Optimal Convergence without Gradient Clipping

Zijian Liu, Zhengyuan Zhou

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Recently, the study of heavy-tailed noises in first-order nonconvex stochastic optimization has gotten a lot of attention since it was recognized as a more realistic condition as suggested by many empirical observations. Specifically, the stochastic noise (the difference between the stochastic and true gradient) is considered to have only a finite $\mathfrak{p}$-th moment where $\mathfrak{p}\in\left(1,2\right]$ instead of assuming it always satisfies the classical finite variance assumption. To deal with this more challenging setting, people have proposed different algorithms and proved them to converge at an optimal $\mathcal{O}(T^{\frac{1-\mathfrak{p}}{3\mathfrak{p}-2}})$ rate for smooth objectives after $T$ iterations. Notably, all these new-designed algorithms are based on the same technique – gradient clipping. Naturally, one may want to know whether the clipping method is a necessary ingredient and the only way to guarantee convergence under heavy-tailed noises. In this work, by revisiting the existing Batched Normalized Stochastic Gradient Descent with Momentum (Batched NSGDM) algorithm, we provide the first convergence result under heavy-tailed noises but without gradient clipping. Concretely, we prove that Batched NSGDM can achieve the optimal $\mathcal{O}(T^{\frac{1-\mathfrak{p}}{3\mathfrak{p}-2}})$ rate even under the relaxed smooth condition. More interestingly, we also establish the first $\mathcal{O}(T^{\frac{1-\mathfrak{p}}{2\mathfrak{p}}})$ convergence rate in the case where the tail index $\mathfrak{p}$ is unknown in advance, which is arguably the common scenario in practice.

Poster
On the Almost Sure Convergence of the Stochastic Three Points Algorithm

Taha EL BAKKALI EL KADI, Omar Saadi

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The stochastic three points (STP) algorithm is a derivative-free optimization technique designed for unconstrained optimization problems in $\mathbb{R}^d$. In this paper, we analyze this algorithm for three classes of functions: smooth functions that may lack convexity, smooth convex functions, and smooth functions that are strongly convex. Our work provides the first almost sure convergence results of the STP algorithm, alongside some convergence results in expectation. For the class of smooth functions, we establish that the best gradient iterate of the STP algorithm converges almost surely to zero at a rate of $o(1/{T^{\frac{1}{2}-\epsilon}})$ for any $\epsilon\in (0,\frac{1}{2})$, where $T$ is the number of iterations. Furthermore, within the same class of functions, we establish both almost sure convergence and convergence in expectation of the final gradient iterate towards zero. For the class of smooth convex functions, we establish that $f(\theta^T)$ converges to $\inf_{\theta \in \mathbb{R}^d} f(\theta)$ almost surely at a rate of $o(1/{T^{1-\epsilon}})$ for any $\epsilon\in (0,1)$, and in expectation at a rate of $O(\frac{d}{T})$ where $d$ is the dimension of the space. Finally, for the class of smooth functions that are strongly convex, we establish that when step sizes are obtained by approximating the directional derivatives of the function, $f(\theta^T)$ converges to $\inf_{\theta \in \mathbb{R}^d} f(\theta)$ in expectation at a rate of $O((1-\frac{\mu}{2\pi dL})^T)$, and almost surely at a rate of $o((1-s\frac{\mu}{2\pi dL})^T)$ for any $s\in (0,1)$, where $\mu$ and $L$ are the strong convexity and smoothness parameters of the function.

Poster
BP-Modified Local Loss for Efficient Training of Deep Neural Networks

REN Lianhai, Qianxiao Li

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The training of large models is memory-constrained, one direction to relieve this is training using local loss, like GIM, LoCo, and Forward-Forward algorithms. However, the local loss methods often face the issue of slow or non-convergence. In this paper, we propose a novel BP-modified local loss method that uses the true Backward Propagation (BP) gradient to modify the local loss gradient to improve the performance of local loss training. We use the stochastic modified equation to analyze our method and show that modified offset decreases the bias between the BP gradient and local loss gradient, but introduces additional variance, which results in a bias-variance balance. Numerical experiments on full-tuning and LoKr tuning on the ResNet-50 model and LoRA tuning on the ViT-b16 model on CIFAR-100 datasets show 20.5\% test top-1 accuracy improvement for the Forward-Forward algorithm, 18.6\% improvement for LoCo algorithm and achieve only on average 7.7\% of test accuracy loss compared to the BP algorithm, with up to 75\% memory savings.

Poster
DiSK: Differentially Private Optimizer with Simplified Kalman Filter for Noise Reduction

Xinwei Zhang, Zhiqi Bu, Borja Balle, Mingyi Hong, Meisam Razaviyayn, Vahab Mirrokni

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Differential privacy (DP) offers a robust framework for safeguarding individual data privacy. To utilize DP in training modern machine learning models, differentially private optimizers have been widely used in recent years. A popular approach to privatize an optimizer is to clip the individual gradients and add sufficiently large noise to the clipped gradient. This approach led to the development of DP optimizers that have comparable performance with their non-private counterparts in fine-tuning tasks or in tasks with a small number of training parameters. However, a significant performance drop is observed when these optimizers are applied to large-scale training. This degradation stems from the substantial noise injection required to maintain DP, which disrupts the optimizer's dynamics. This paper introduces DiSK, a novel framework designed to significantly enhance the performance of DP optimizers. DiSK employs Kalman filtering, a technique drawn from control and signal processing, to effectively denoise privatized gradients and generate progressively refined gradient estimations. To ensure practicality for large-scale training, we simplify the Kalman filtering process, minimizing its memory and computational demands. We establish theoretical privacy-utility trade-off guarantees for DiSK, and demonstrate provable improvements over standard DP optimizers like DPSGD in terms of iteration complexity upper-bound. Extensive experiments across diverse tasks, including vision tasks such as CIFAR-100 and ImageNet-1k and language fine-tuning tasks such as GLUE, E2E, and DART, validate the effectiveness of DiSK. The results showcase its ability to significantly improve the performance of DP optimizers, surpassing state-of-the-art results under the same privacy constraints on several benchmarks.

Poster
An Asynchronous Bundle Method for Distributed Learning Problems

Daniel Cederberg, Xuyang Wu, Stephen P. Boyd, Mikael Johansson

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We propose a novel asynchronous bundle method to solve distributed learning problems. Compared to existing asynchronous methods, our algorithm computes the next iterate based on a more accurate approximation of the objective function and does not require any prior information about the maximal information delay in the system. This makes the proposed method fast and easy to tune. We prove that the algorithm converges in both deterministic and stochastic (mini-batch) settings, and quantify how the convergence times depend on the level of asynchrony. The practical advantages of our method are illustrated through numerical experiments on classification problems of varying complexities and scales.

Poster
Cauchy-Schwarz Regularizers

Sueda Taner, Ziyi Wang, Christoph Studer

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We introduce a novel class of regularization functions, called Cauchy–Schwarz (CS) regularizers, which can be designed to induce a wide range of properties in solution vectors of optimization problems. To demonstrate the versatility of CS regularizers, we derive regularization functions that promote discrete-valued vectors, eigenvectors of a given matrix, and orthogonal matrices. The resulting CS regularizers are simple, differentiable, and can be free of spurious stationary points, making them suitable for gradient-based solvers and large-scale optimization problems. In addition, CS regularizers automatically adapt to the appropriate scale, which is, for example, beneficial when discretizing the weights of neural networks. To demonstrate the efficacy of CS regularizers, we provide results for solving underdetermined systems of linear equations and weight quantization in neural networks. Furthermore, we discuss specializations, variations, and generalizations, which lead to an even broader class of new and possibly more powerful regularizers.

Poster
Robustness of Quantum Algorithms for Nonconvex Optimization

Weiyuan Gong, Chenyi Zhang, Tongyang Li

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In this paper, we systematically study quantum algorithms for finding an $\epsilon$-approximate second-order stationary point ($\epsilon$-SOSP) of a $d$-dimensional nonconvex function, a fundamental problem in nonconvex optimization, with noisy zeroth- or first-order oracles as inputs. We first prove that, up to noise of $O(\epsilon^{10}/d^5)$, perturbed accelerated gradient descent equipped with quantum gradient estimation takes $O(\log d/\epsilon^{1.75})$ quantum queries to find an $\epsilon$-SOSP. We then prove that standard perturbed gradient descent is robust to the noise of $O(\epsilon^6/d^4)$ and $O(\epsilon/d^{0.5+\zeta})$ for any $\zeta>0$ on the zeroth- and first-order oracles, respectively, which provides a quantum algorithm with poly-logarithmic query complexity. Furthermore, we propose a stochastic gradient descent algorithm using quantum mean estimation on the Gaussian smoothing of noisy oracles, which is robust to $O(\epsilon^{1.5}/d)$ and $O(\epsilon/\sqrt{d})$ noise on the zeroth- and first-order oracles, respectively. The quantum algorithm takes $O(d^{2.5}/\epsilon^{3.5})$ and $O(d^2/\epsilon^3)$ queries to the two oracles, giving a polynomial speedup over the classical counterparts. As a complement, we characterize the domains where quantum algorithms can find an $\epsilon$-SOSP with poly-logarithmic, polynomial, or exponential number of queries in $d$, or the problem is information-theoretically unsolvable even with an infinite number of queries. In addition, we prove an $\Omega(\epsilon^{-12/7})$ lower bound on $\epsilon$ for any randomized classical and quantum algorithm to find an $\epsilon$-SOSP using either noisy zeroth- or first-order oracles.

Poster
Boosting Perturbed Gradient Ascent for Last-Iterate Convergence in Games

Kenshi Abe, Mitsuki Sakamoto, Kaito Ariu, Atsushi Iwasaki

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This paper presents a payoff perturbation technique, introducing a strong convexity to players' payoff functions in games. This technique is specifically designed for first-order methods to achieve last-iterate convergence in games where the gradient of the payoff functions is monotone in the strategy profile space, potentially containing additive noise. Although perturbation is known to facilitate the convergence of learning algorithms, the magnitude of perturbation requires careful adjustment to ensure last-iterate convergence. Previous studies have proposed a scheme in which the magnitude is determined by the distance from a periodically re-initialized anchoring or reference strategy. Building upon this, we propose Gradient Ascent with Boosting Payoff Perturbation, which incorporates a novel perturbation into the underlying payoff function, maintaining the periodically re-initializing anchoring strategy scheme. This innovation empowers us to provide faster last-iterate convergence rates against the existing payoff perturbed algorithms, even in the presence of additive noise.

Poster
Revisiting Large-Scale Non-convex Distributionally Robust Optimization

Qi Zhang, Yi Zhou, Simon Khan, Ashley Prater-Bennette, Lixin Shen, Shaofeng Zou

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Distributionally robust optimization (DRO) is a powerful technique to train robust machine learning models that perform well under distribution shifts. Compared with empirical risk minimization (ERM), DRO optimizes the expected loss under the worst-case distribution in an uncertainty set of distributions. This paper revisits the important problem of DRO with non-convex smooth loss functions. For this problem, Jin et al. (2021) showed that its dual problem is generalized $(L_0, L_1)$-smooth condition and gradient noise satisfies the affine variance condition, designed an algorithm of mini-batch normalized gradient descent with momentum, and proved its convergence and complexity. In this paper, we show that the dual problem and the gradient noise satisfy simpler yet more precise partially generalized smoothness condition and partially affine variance condition by studying the optimization variable and dual variable separately, which further yields much simpler algorithm design and convergence analysis. We develop a double stochastic gradient descent with clipping (D-SGD-C) algorithm that converges to an $\epsilon$-stationary point with $\mathcal O(\epsilon^{-4})$ gradient complexity, which matches with results in Jin et al. (2021). Our algorithm does not need to use momentum, and the proof is much simpler, thanks to the more precise characterization of partially generalized smoothness and partially affine variance noise. We further design a variance-reduced method that achieves a lower gradient complexity of $\mathcal O(\epsilon^{-3})$. Our theoretical results and insights are further verified numerically on a number of tasks, and our algorithms outperform the existing DRO method (Jin et al., 2021).

Poster
The Directionality of Optimization Trajectories in Neural Networks

Sidak Pal Singh, Bobby He, Thomas Hofmann, Bernhard Schölkopf

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The regularity or implicit bias in neural network optimization has been typically studied via the parameter norms or the landscape curvature, often overlooking the trajectory leading to these parameters. However, properties of the trajectory --- particularly its directionality --- capture critical aspects of how gradient descent navigates the landscape to converge to a solution. In this work, we introduce the notion of a Trajectory Map and derive natural complexity measures that highlight the directional characteristics of optimization trajectories. Our comprehensive analysis across vision and language modeling tasks reveals that (a) the trajectory's directionality at the macro-level saturates by the initial phase of training, wherein weight decay and momentum play a crucial but understated role; and (b) in subsequent training, trajectory directionality manifests in micro-level behaviors, such as oscillations, for which we also provide a theoretical analysis. This implies that neural optimization trajectories have, overall, a more linear form than zig-zaggy, as evident by high directional similarity, especially towards the end. To further hone this point, we show that when the trajectory direction gathers such an inertia, optimization proceeds largely unaltered even if the network is severely decapacitated (by freezing >99% of the parameters), --- thereby demonstrating the potential for significant computational and resource savings without compromising performance.

Poster
From Decoupling to Adaptive Transformation: a Wider Optimization Space for PTQ

Zhaojing Wen, Qiulin Zhang, Yuan Zhang, Rudan Chen, Xichao Yang, Di Xie, Jiang Zhu

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Post-Training low-bit Quantization (PTQ) is useful to accelerate DNNs due to its high efficiency, the current SOTAs of which mostly adopt feature reconstruction with self-distillation finetuning. However, when bitwidth goes to be extremely low, we find the current reconstruction optimization space is not optimal. Considering all possible parameters and the ignored fact that integer weight can be obtained early before actual inference, we thoroughly explore different optimization space by quant-step decoupling, where a wider PTQ optimization space, which consistently makes a better optimum, is found out. Based on these, we propose an Adaptive Quantization Transformation (AdaQTransform) for PTQ reconstruction, which makes the quantized output feature better fit the FP32 counterpart with adaptive per-channel transformation, thus achieves lower feature reconstruction error. In addition, it incurs negligible extra finetuning cost and no extra inference cost. Based on AdaQTransform, for the first time, we build a general quantization setting paradigm subsuming current PTQs, QATs and other potential forms. Experiments demonstrate AdaQTransform expands the optimization space for PTQ and helps current PTQs find a better optimum over CNNs, ViTs, LLMs and image super-resolution networks, e.g., it improves NWQ by 5.7% on ImageNet for W2A2-MobileNet-v2.

Poster
Accelerated training through iterative gradient propagation along the residual path

Erwan Fagnou, Paul Caillon, Blaise Delattre, Alexandre Allauzen

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Despite being the cornerstone of deep learning, backpropagation is criticized for its inherent sequentiality, which can limit the scalability of very deep models. Such models faced convergence issues due to vanishing gradient, later resolved using residual connections. Variants of these are now widely used in modern architectures. However, the computational cost of backpropagation remains a major burden, accounting for most of the training time. Taking advantage of residual-like architectural designs, we introduce Highway backpropagation, a parallelizable iterative algorithm that approximates backpropagation, by alternatively i) accumulating the gradient estimates along the residual path, and ii) backpropagating them through every layer in parallel. This algorithm is naturally derived from a decomposition of the gradient as the sum of gradients flowing through all paths, and is adaptable to a diverse set of common architectures, ranging from ResNets and Transformers to recurrent neural networks. Through an extensive empirical study on a large selection of tasks and models, we evaluate Highway-BP and show that major speedups can be achieved with minimal performance degradation.

Oral
How Does Critical Batch Size Scale in Pre-training?

Hanlin Zhang, Depen Morwani, Nikhil Vyas, Jingfeng Wu, Difan Zou, Udaya Ghai, Dean Foster, Sham M. Kakade

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Training large-scale models under given resources requires careful design of parallelism strategies. In particular, the efficiency notion of critical batch size (CBS), concerning the compromise between time and compute, marks the threshold beyond which greater data parallelism leads to diminishing returns. To operationalize it, we propose a measure of CBS and pre-train a series of auto-regressive language models, ranging from 85 million to 1.2 billion parameters, on the C4 dataset. Through extensive hyper-parameter sweeps and careful control of factors such as batch size, momentum, and learning rate along with its scheduling, we systematically investigate the impact of scale on CBS. Then we fit scaling laws with respect to model and data sizes to decouple their effects. Overall, our results demonstrate that CBS scales primarily with data size rather than model size, a finding we justify theoretically through the analysis of infinite-width limits of neural networks and infinite-dimensional least squares regression. Of independent interest, we highlight the importance of common hyper-parameter choices and strategies for studying large-scale pre-training beyond fixed training durations.

Poster
Optimizing Posterior Samples for Bayesian Optimization via Rootfinding

Taiwo Adebiyi, Bach Do, Ruda Zhang

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Bayesian optimization devolves the global optimization of a costly objective function to the global optimization of a sequence of acquisition functions. This inner-loop optimization can be catastrophically difficult if it involves posterior sample paths, especially in higher dimensions. We introduce an efficient global optimization strategy for posterior samples based on global rootfinding. It provides gradient-based optimizers with two sets of judiciously selected starting points, designed to combine exploration and exploitation. The number of starting points can be kept small without sacrificing optimization quality. Remarkably, even with just one point from each set, the global optimum is discovered most of the time. The algorithm scales practically linearly to high dimensions, breaking the curse of dimensionality. For Gaussian process Thompson sampling (GP-TS), we demonstrate remarkable improvement in both inner- and outer-loop optimization, surprisingly outperforming alternatives like EI and GP-UCB in most cases. Our approach also improves the performance of other posterior sample-based acquisition functions, such as variants of entropy search. Furthermore, we propose a sample-average formulation of GP-TS, which has a parameter to explicitly control exploitation and can be computed at the cost of one posterior sample.

Poster