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 gradient-based optimization




Trivializations for Gradient-Based Optimization on Manifolds

Neural Information Processing Systems

We introduce a framework to study the transformation of problems with manifold constraints into unconstrained problems through parametrizations in terms of a Euclidean space.


Differentiable Spline Approximations

Neural Information Processing Systems

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically require that the machine learning models be differentiable, limiting their applicability. Our goal in this paper is to use a new, principled approach to extend gradient-based optimization to functions well modeled by splines, which encompass a large family of piecewise polynomial models. We derive the form of the (weak) Jacobian of such functions and show that it exhibits a block-sparse structure that can be computed implicitly and efficiently. Overall, we show that leveraging this redesigned Jacobian in the form of a differentiable layer'' in predictive models leads to improved performance in diverse applications such as image segmentation, 3D point cloud reconstruction, and finite element analysis.


Black-Box Optimization with Local Generative Surrogates

Neural Information Processing Systems

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with intractable likelihoods. Optimization of these forward models is particularly challenging, especially when the simulator is stochastic. To address such cases, we introduce the use of deep generative models to iteratively approximate the simulator in local neighborhoods of the parameter space. We demonstrate that these local surrogates can be used to approximate the gradient of the simulator, and thus enable gradient-based optimization of simulator parameters. In cases where the dependence of the simulator on the parameter space is constrained to a low dimensional submanifold, we observe that our method attains minima faster than baseline methods, including Bayesian optimization, numerical optimization and approaches using score function gradient estimators.


How to Boost Any Loss Function

Neural Information Processing Systems

Boosting is a highly successful ML-born optimization setting in which one is required to computationally efficiently learn arbitrarily good models based on the access to a weak learner oracle, providing classifiers performing at least slightly differently from random guessing. A key difference with gradient-based optimization is that boosting's original model does not requires access to first order information about a loss, yet the decades long history of boosting has quickly evolved it into a first order optimization setting -- sometimes even wrongfully *defining* it as such. Owing to recent progress extending gradient-based optimization to use only a loss' zeroth ($0^{th}$) order information to learn, this begs the question: what loss functions be efficiently optimized with boosting and what is the information really needed for boosting to meet the *original* boosting blueprint's requirements?We provide a constructive formal answer essentially showing that *any* loss function can be optimized with boosting and thus boosting can achieve a feat not yet known to be possible in the classical $0^{th}$ order setting, since loss functions are not required to be be convex, nor differentiable or Lipschitz -- and in fact not required to be continuous either. Some tools we use are rooted in quantum calculus, the mathematical field -- not to be confounded with quantum computation -- that studies calculus without passing to the limit, and thus without using first order information.


Universal Adversarial Suffixes Using Calibrated Gumbel-Softmax Relaxation

Soor, Sampriti, Ghosh, Suklav, Sur, Arijit

arXiv.org Artificial Intelligence

Language models (LMs) are often used as zero-shot or few-shot classifiers by scoring label words, but they remain fragile to adversarial prompts. Prior work typically optimizes task- or model-specific triggers, making results difficult to compare and limiting transferability. We study universal adversarial suffixes: short token sequences (4-10 tokens) that, when appended to any input, broadly reduce accuracy across tasks and models. Our approach learns the suffix in a differentiable "soft" form using Gumbel-Softmax relaxation and then discretizes it for inference. Training maximizes calibrated cross-entropy on the label region while masking gold tokens to prevent trivial leakage, with entropy regularization to avoid collapse. A single suffix trained on one model transfers effectively to others, consistently lowering both accuracy and calibrated confidence. Experiments on sentiment analysis, natural language inference, paraphrase detection, commonsense QA, and physical reasoning with Qwen2-1.5B, Phi-1.5, and TinyLlama-1.1B demonstrate consistent attack effectiveness and transfer across tasks and model families.


JaxWildfire: A GPU-Accelerated Wildfire Simulator for Reinforcement Learning

Çakır, Ufuk, Darvariu, Victor-Alexandru, Lacerda, Bruno, Hawes, Nick

arXiv.org Artificial Intelligence

Artificial intelligence methods are increasingly being explored for managing wildfires and other natural hazards. In particular, reinforcement learning (RL) is a promising path towards improving outcomes in such uncertain decision-making scenarios and moving beyond reactive strategies. However, training RL agents requires many environment interactions, and the speed of existing wildfire simulators is a severely limiting factor. We introduce $\texttt{JaxWildfire}$, a simulator underpinned by a principled probabilistic fire spread model based on cellular automata. It is implemented in JAX and enables vectorized simulations using $\texttt{vmap}$, allowing high throughput of simulations on GPUs. We demonstrate that $\texttt{JaxWildfire}$ achieves 6-35x speedup over existing software and enables gradient-based optimization of simulator parameters. Furthermore, we show that $\texttt{JaxWildfire}$ can be used to train RL agents to learn wildfire suppression policies. Our work is an important step towards enabling the advancement of RL techniques for managing natural hazards.


Pathlet Variational Auto-Encoder for Robust Trajectory Generation

Tang, Yuanbo, Tang, Yan, Zhang, Zixuan, Zhao, Zihui, Li, Yang

arXiv.org Artificial Intelligence

Trajectory generation has recently drawn growing interest in privacy-preserving urban mobility studies and location-based service applications. Although many studies have used deep learning or generative AI methods to model trajectories and have achieved promising results, the robustness and interpretability of such models are largely unexplored. This limits the application of trajectory generation algorithms on noisy real-world data and their trustworthiness in downstream tasks. To address this issue, we exploit the regular structure in urban trajectories and propose a deep generative model based on the pathlet representation, which encode trajectories with binary vectors associated with a learned dictionary of trajectory segments. Specifically, we introduce a probabilistic graphical model to describe the trajectory generation process, which includes a Variational Autoencoder (VAE) component and a linear decoder component. During training, the model can simultaneously learn the latent embedding of pathlet representations and the pathlet dictionary that captures mobility patterns in the trajectory dataset. The conditional version of our model can also be used to generate customized trajectories based on temporal and spatial constraints. Our model can effectively learn data distribution even using noisy data, achieving relative improvements of $35.4\%$ and $26.3\%$ over strong baselines on two real-world trajectory datasets. Moreover, the generated trajectories can be conveniently utilized for multiple downstream tasks, including trajectory prediction and data denoising. Lastly, the framework design offers a significant efficiency advantage, saving $64.8\%$ of the time and $56.5\%$ of GPU memory compared to previous approaches.


CLAX: Fast and Flexible Neural Click Models in JAX

Hager, Philipp, Zoeter, Onno, de Rijke, Maarten

arXiv.org Artificial Intelligence

CLAX is a JAX-based library that implements classic click models using modern gradient-based optimization. While neural click models have emerged over the past decade, complex click models based on probabilistic graphical models (PGMs) have not systematically adopted gradient-based optimization, preventing practitioners from leveraging modern deep learning frameworks while preserving the interpretability of classic models. CLAX addresses this gap by replacing EM-based optimization with direct gradient-based optimization in a numerically stable manner. The framework's modular design enables the integration of any component, from embeddings and deep networks to custom modules, into classic click models for end-to-end optimization. We demonstrate CLAX's efficiency by running experiments on the full Baidu-ULTR dataset comprising over a billion user sessions in $\approx$ 2 hours on a single GPU, orders of magnitude faster than traditional EM approaches. CLAX implements ten classic click models, serving both industry practitioners seeking to understand user behavior and improve ranking performance at scale and researchers developing new click models. CLAX is available at: https://github.com/philipphager/clax