Daily Papers

The diffusion model is a state-of-the-art generative model that generates an image by applying a neural network iteratively. Moreover, this generation process is regarded as an algorithm solving an ordinary differential equation or a stochastic differential equation. Based on the analysis of the truncation error of the diffusion ODE and SDE, our study proposes a training-free algorithm that generates high-quality 512 x 512 and 1024 x 1024 images in eight steps, with flexible guidance scales. To the best of my knowledge, our algorithm is the first one that samples a 1024 x 1024 resolution image in 8 steps with an FID performance comparable to that of the latest distillation model, but without additional training. Meanwhile, our algorithm can also generate a 512 x 512 image in 8 steps, and its FID performance is better than the inference result using state-of-the-art ODE solver DPM++ 2m in 20 steps. We validate our eight-step image generation algorithm using the COCO 2014, COCO 2017, and LAION datasets. And our best FID performance is 15.7, 22.35, and 17.52. While the FID performance of DPM++2m is 17.3, 23.75, and 17.33. Further, it also outperforms the state-of-the-art AMED-plugin solver, whose FID performance is 19.07, 25.50, and 18.06. We also apply the algorithm in five-step inference without additional training, for which the best FID performance in the datasets mentioned above is 19.18, 23.24, and 19.61, respectively, and is comparable to the performance of the state-of-the-art AMED Pulgin solver in eight steps, SDXL-turbo in four steps, and the state-of-the-art diffusion distillation model Flash Diffusion in five steps. We also validate our algorithm in synthesizing 1024 * 1024 images within 6 steps, whose FID performance only has a limited distance to the latest distillation algorithm. The code is in repo: https://github.com/TheLovesOfLadyPurple/Hyperparameters-are-all-you-need

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

Various algorithms for continual learning (CL) have been designed with the goal of effectively alleviating the trade-off between stability and plasticity during the CL process. To achieve this goal, tuning appropriate hyperparameters for each algorithm is essential. As an evaluation protocol, it has been common practice to train a CL algorithm using diverse hyperparameter values on a CL scenario constructed with a benchmark dataset. Subsequently, the best performance attained with the optimal hyperparameter value serves as the criterion for evaluating the CL algorithm. In this paper, we contend that this evaluation protocol is not only impractical but also incapable of effectively assessing the CL capability of a CL algorithm. Returning to the fundamental principles of model evaluation in machine learning, we propose an evaluation protocol that involves Hyperparameter Tuning and Evaluation phases. Those phases consist of different datasets but share the same CL scenario. In the Hyperparameter Tuning phase, each algorithm is iteratively trained with different hyperparameter values to find the optimal hyperparameter values. Subsequently, in the Evaluation phase, the optimal hyperparameter values is directly applied for training each algorithm, and their performance in the Evaluation phase serves as the criterion for evaluating them. Through experiments on CIFAR-100 and ImageNet-100 based on the proposed protocol in class-incremental learning, we not only observed that the existing evaluation method fail to properly assess the CL capability of each algorithm but also observe that some recently proposed state-of-the-art algorithms, which reported superior performance, actually exhibit inferior performance compared to the previous algorithm.

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex problems. The recent introduction of multi-objective reinforcement learning (MORL) has further expanded the scope of RL by enabling agents to make trade-offs among multiple objectives. This advancement not only has broadened the range of problems that can be tackled but also created numerous opportunities for exploration and advancement. Yet, the effectiveness of RL agents heavily relies on appropriately setting their hyperparameters. In practice, this task often proves to be challenging, leading to unsuccessful deployments of these techniques in various instances. Hence, prior research has explored hyperparameter optimization in RL to address this concern. This paper presents an initial investigation into the challenge of hyperparameter optimization specifically for MORL. We formalize the problem, highlight its distinctive challenges, and propose a systematic methodology to address it. The proposed methodology is applied to a well-known environment using a state-of-the-art MORL algorithm, and preliminary results are reported. Our findings indicate that the proposed methodology can effectively provide hyperparameter configurations that significantly enhance the performance of MORL agents. Furthermore, this study identifies various future research opportunities to further advance the field of hyperparameter optimization for MORL.

Hyperparameter (HP) tuning in deep learning is an expensive process, prohibitively so for neural networks (NNs) with billions of parameters. We show that, in the recently discovered Maximal Update Parametrization (muP), many optimal HPs remain stable even as model size changes. This leads to a new HP tuning paradigm we call muTransfer: parametrize the target model in muP, tune the HP indirectly on a smaller model, and zero-shot transfer them to the full-sized model, i.e., without directly tuning the latter at all. We verify muTransfer on Transformer and ResNet. For example, 1) by transferring pretraining HPs from a model of 13M parameters, we outperform published numbers of BERT-large (350M parameters), with a total tuning cost equivalent to pretraining BERT-large once; 2) by transferring from 40M parameters, we outperform published numbers of the 6.7B GPT-3 model, with tuning cost only 7% of total pretraining cost. A Pytorch implementation of our technique can be found at github.com/microsoft/mup and installable via `pip install mup`.

Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, and expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to over 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

Membership Inference Attacks (MIAs) have emerged as a valuable framework for evaluating privacy leakage by machine learning models. Score-based MIAs are distinguished, in particular, by their ability to exploit the confidence scores that the model generates for particular inputs. Existing score-based MIAs implicitly assume that the adversary has access to the target model's hyperparameters, which can be used to train the shadow models for the attack. In this work, we demonstrate that the knowledge of target hyperparameters is not a prerequisite for MIA in the transfer learning setting. Based on this, we propose a novel approach to select the hyperparameters for training the shadow models for MIA when the attacker has no prior knowledge about them by matching the output distributions of target and shadow models. We demonstrate that using the new approach yields hyperparameters that lead to an attack near indistinguishable in performance from an attack that uses target hyperparameters to train the shadow models. Furthermore, we study the empirical privacy risk of unaccounted use of training data for hyperparameter optimization (HPO) in differentially private (DP) transfer learning. We find no statistically significant evidence that performing HPO using training data would increase vulnerability to MIA.

Hyperparameters are a critical factor in reliably training well-performing reinforcement learning (RL) agents. Unfortunately, developing and evaluating automated approaches for tuning such hyperparameters is both costly and time-consuming. As a result, such approaches are often only evaluated on a single domain or algorithm, making comparisons difficult and limiting insights into their generalizability. We propose ARLBench, a benchmark for hyperparameter optimization (HPO) in RL that allows comparisons of diverse HPO approaches while being highly efficient in evaluation. To enable research into HPO in RL, even in settings with low compute resources, we select a representative subset of HPO tasks spanning a variety of algorithm and environment combinations. This selection allows for generating a performance profile of an automated RL (AutoRL) method using only a fraction of the compute previously necessary, enabling a broader range of researchers to work on HPO in RL. With the extensive and large-scale dataset on hyperparameter landscapes that our selection is based on, ARLBench is an efficient, flexible, and future-oriented foundation for research on AutoRL. Both the benchmark and the dataset are available at https://github.com/automl/arlbench.

To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.

Neural radiance fields (NeRFs) are a widely accepted standard for synthesizing new 3D object views from a small number of base images. However, NeRFs have limited generalization properties, which means that we need to use significant computational resources to train individual architectures for each item we want to represent. To address this issue, we propose a few-shot learning approach based on the hypernetwork paradigm that does not require gradient optimization during inference. The hypernetwork gathers information from the training data and generates an update for universal weights. As a result, we have developed an efficient method for generating a high-quality 3D object representation from a small number of images in a single step. This has been confirmed by direct comparison with the state-of-the-art solutions and a comprehensive ablation study.

Cross-lingual transfer learning is an important property of multilingual large language models (LLMs). But how do LLMs represent relationships between languages? Every language model has an input layer that maps tokens to vectors. This ubiquitous layer of language models is often overlooked. We find that similarities between these input embeddings are highly interpretable and that the geometry of these embeddings differs between model families. In one case (XLM-RoBERTa), embeddings encode language: tokens in different writing systems can be linearly separated with an average of 99.2% accuracy. Another family (mT5) represents cross-lingual semantic similarity: the 50 nearest neighbors for any token represent an average of 7.61 writing systems, and are frequently translations. This result is surprising given that there is no explicit parallel cross-lingual training corpora and no explicit incentive for translations in pre-training objectives. Our research opens the door for investigations in 1) The effect of pre-training and model architectures on representations of languages and 2) The applications of cross-lingual representations embedded in language models.

Models with fewer parameters are necessary for the neural control of memory-limited, performant robots. Finding these smaller neural network architectures can be time-consuming. We propose HyperPPO, an on-policy reinforcement learning algorithm that utilizes graph hypernetworks to estimate the weights of multiple neural architectures simultaneously. Our method estimates weights for networks that are much smaller than those in common-use networks yet encode highly performant policies. We obtain multiple trained policies at the same time while maintaining sample efficiency and provide the user the choice of picking a network architecture that satisfies their computational constraints. We show that our method scales well - more training resources produce faster convergence to higher-performing architectures. We demonstrate that the neural policies estimated by HyperPPO are capable of decentralized control of a Crazyflie2.1 quadrotor. Website: https://sites.google.com/usc.edu/hyperppo

Hyperparameter optimization (HPO) is crucial for fine-tuning machine learning models but can be computationally expensive. To reduce costs, Multi-fidelity HPO (MF-HPO) leverages intermediate accuracy levels in the learning process and discards low-performing models early on. We compared various representative MF-HPO methods against a simple baseline on classical benchmark data. The baseline involved discarding all models except the Top-K after training for only one epoch, followed by further training to select the best model. Surprisingly, this baseline achieved similar results to its counterparts, while requiring an order of magnitude less computation. Upon analyzing the learning curves of the benchmark data, we observed a few dominant learning curves, which explained the success of our baseline. This suggests that researchers should (1) always use the suggested baseline in benchmarks and (2) broaden the diversity of MF-HPO benchmarks to include more complex cases.

In order to improve reproducibility, deep reinforcement learning (RL) has been adopting better scientific practices such as standardized evaluation metrics and reporting. However, the process of hyperparameter optimization still varies widely across papers, which makes it challenging to compare RL algorithms fairly. In this paper, we show that hyperparameter choices in RL can significantly affect the agent's final performance and sample efficiency, and that the hyperparameter landscape can strongly depend on the tuning seed which may lead to overfitting. We therefore propose adopting established best practices from AutoML, such as the separation of tuning and testing seeds, as well as principled hyperparameter optimization (HPO) across a broad search space. We support this by comparing multiple state-of-the-art HPO tools on a range of RL algorithms and environments to their hand-tuned counterparts, demonstrating that HPO approaches often have higher performance and lower compute overhead. As a result of our findings, we recommend a set of best practices for the RL community, which should result in stronger empirical results with fewer computational costs, better reproducibility, and thus faster progress. In order to encourage the adoption of these practices, we provide plug-and-play implementations of the tuning algorithms used in this paper at https://github.com/facebookresearch/how-to-autorl.

Learned Iterative Shrinkage-Thresholding Algorithm (LISTA) introduces the concept of unrolling an iterative algorithm and training it like a neural network. It has had great success on sparse recovery. In this paper, we show that adding momentum to intermediate variables in the LISTA network achieves a better convergence rate and, in particular, the network with instance-optimal parameters is superlinearly convergent. Moreover, our new theoretical results lead to a practical approach of automatically and adaptively calculating the parameters of a LISTA network layer based on its previous layers. Perhaps most surprisingly, such an adaptive-parameter procedure reduces the training of LISTA to tuning only three hyperparameters from data: a new record set in the context of the recent advances on trimming down LISTA complexity. We call this new ultra-light weight network HyperLISTA. Compared to state-of-the-art LISTA models, HyperLISTA achieves almost the same performance on seen data distributions and performs better when tested on unseen distributions (specifically, those with different sparsity levels and nonzero magnitudes). Code is available: https://github.com/VITA-Group/HyperLISTA.

For many differentially private algorithms, such as the prominent noisy stochastic gradient descent (DP-SGD), the analysis needed to bound the privacy leakage of a single training run is well understood. However, few studies have reasoned about the privacy leakage resulting from the multiple training runs needed to fine tune the value of the training algorithm's hyperparameters. In this work, we first illustrate how simply setting hyperparameters based on non-private training runs can leak private information. Motivated by this observation, we then provide privacy guarantees for hyperparameter search procedures within the framework of Renyi Differential Privacy. Our results improve and extend the work of Liu and Talwar (STOC 2019). Our analysis supports our previous observation that tuning hyperparameters does indeed leak private information, but we prove that, under certain assumptions, this leakage is modest, as long as each candidate training run needed to select hyperparameters is itself differentially private.

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).

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.

As hyperparameter tuning becomes increasingly costly at scale, efficient tuning methods are essential. Yet principles for guiding hyperparameter tuning remain limited. In this work, we seek to establish such principles by considering a broad range of hyperparameters, including batch size, learning rate, and weight decay. We identify a phenomenon we call trajectory invariance, where pre-training loss curves, gradient noise, and gradient norm exhibit invariance--closely overlapping--with respect to a quantity that combines learning rate and weight decay. This phenomenon effectively reduces the original two-dimensional hyperparameter space to one dimension, yielding an efficient tuning rule: follow the salient direction revealed by trajectory invariance. Furthermore, we refine previous scaling laws and challenge several existing viewpoints. Overall, our work proposes new principles for efficient tuning and inspires future research on scaling laws.

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.

Efficient hyperparameter or architecture search methods have shown remarkable results, but each of them is only applicable to searching for either hyperparameters (HPs) or architectures. In this work, we propose a unified pipeline, AutoHAS, to efficiently search for both architectures and hyperparameters. AutoHAS learns to alternately update the shared network weights and a reinforcement learning (RL) controller, which learns the probability distribution for the architecture candidates and HP candidates. A temporary weight is introduced to store the updated weight from the selected HPs (by the controller), and a validation accuracy based on this temporary weight serves as a reward to update the controller. In experiments, we show AutoHAS is efficient and generalizable to different search spaces, baselines and datasets. In particular, AutoHAS can improve the accuracy over popular network architectures, such as ResNet and EfficientNet, on CIFAR-10/100, ImageNet, and four more other datasets.

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.

Coding problems are problems that require a solution in the form of a computer program. Coding problems are popular among students and professionals as it enhances their skills and career opportunities. An AI system that would help those who practice coding problems would be highly useful and there is a huge potential for such a system. In this work, we propose a model which uses stacking of hyperparameter tuned boosting models to achieve impressive metric scores of 77.8% accuracy and 0.815 PR-AUC on the dataset that was scraped from Codeforces and Leetcode. We open source the dataset and the models developed for this work.

Approximate inference in Gaussian process (GP) models with non-conjugate likelihoods gets entangled with the learning of the model hyperparameters. We improve hyperparameter learning in GP models and focus on the interplay between variational inference (VI) and the learning target. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, we show that a direct approximation of the marginal likelihood as in Expectation Propagation (EP) is a better learning objective for hyperparameter optimization. We design a hybrid training procedure to bring the best of both worlds: it leverages conjugate-computation VI for inference and uses an EP-like marginal likelihood approximation for hyperparameter learning. We compare VI, EP, Laplace approximation, and our proposed training procedure and empirically demonstrate the effectiveness of our proposal across a wide range of data sets.

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a black-box optimization problem. However, gray-box HPO methods, which incorporate more information about the setup, have emerged as a promising direction for more efficient optimization. For example, using intermediate loss evaluations to terminate bad selections. In this work, we propose an HPO method for neural networks using logged checkpoints of the trained weights to guide future hyperparameter selections. Our method, Forecasting Model Search (FMS), embeds weights into a Gaussian process deep kernel surrogate model, using a permutation-invariant graph metanetwork to be data-efficient with the logged network weights. To facilitate reproducibility and further research, we open-source our code at https://github.com/NVlabs/forecasting-model-search.

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their ability to capture uncertainty but they make strong assumptions about the observation noise, which might not be warranted in practice. In this work, we propose to leverage conformalized quantile regression which makes minimal assumptions about the observation noise and, as a result, models the target function in a more realistic and robust fashion which translates to quicker HPO convergence on empirical benchmarks. To apply our method in a multi-fidelity setting, we propose a simple, yet effective, technique that aggregates observed results across different resource levels and outperforms conventional methods across many empirical tasks.

In recent years, people from all over the world are suffering from one of the most severe diseases in history, known as Coronavirus disease 2019, COVID-19 for short. When the virus reaches the lungs, it has a higher probability to cause lung pneumonia and sepsis. X-ray image is a powerful tool in identifying the typical features of the infection for COVID-19 patients. The radiologists and pathologists observe that ground-glass opacity appears in the chest X-ray for infected patient cozzi2021ground, and it could be used as one of the criteria during the diagnosis process. In the past few years, deep learning has proven to be one of the most powerful methods in the field of image classification. Due to significant differences in Chest X-Ray between normal and infected people rousan2020chest, deep models could be used to identify the presence of the disease given a patient's Chest X-Ray. Many deep models are complex, and it evolves with lots of input parameters. Designers sometimes struggle with the tuning process for deep models, especially when they build up the model from scratch. Genetic Algorithm, inspired by the biological evolution process, plays a key role in solving such complex problems. In this paper, I proposed a genetic-based approach to optimize the Convolutional Neural Network(CNN) for the Chest X-Ray classification task.

Convolutional Neural Networks (CNN) have gained great success in many artificial intelligence tasks. However, finding a good set of hyperparameters for a CNN remains a challenging task. It usually takes an expert with deep knowledge, and trials and errors. Genetic algorithms have been used in hyperparameter optimizations. However, traditional genetic algorithms with fixed-length chromosomes may not be a good fit for optimizing deep learning hyperparameters, because deep learning models have variable number of hyperparameters depending on the model depth. As the depth increases, the number of hyperparameters grows exponentially, and searching becomes exponentially harder. It is important to have an efficient algorithm that can find a good model in reasonable time. In this article, we propose to use a variable length genetic algorithm (GA) to systematically and automatically tune the hyperparameters of a CNN to improve its performance. Experimental results show that our algorithm can find good CNN hyperparameters efficiently. It is clear from our experiments that if more time is spent on optimizing the hyperparameters, better results could be achieved. Theoretically, if we had unlimited time and CPU power, we could find the optimized hyperparameters and achieve the best results in the future.

Machine learning models are often tuned by nesting optimization of model weights inside the optimization of hyperparameters. We give a method to collapse this nested optimization into joint stochastic optimization of weights and hyperparameters. Our process trains a neural network to output approximately optimal weights as a function of hyperparameters. We show that our technique converges to locally optimal weights and hyperparameters for sufficiently large hypernetworks. We compare this method to standard hyperparameter optimization strategies and demonstrate its effectiveness for tuning thousands of hyperparameters.

We describe an end-to-end trainable model for image compression based on variational autoencoders. The model incorporates a hyperprior to effectively capture spatial dependencies in the latent representation. This hyperprior relates to side information, a concept universal to virtually all modern image codecs, but largely unexplored in image compression using artificial neural networks (ANNs). Unlike existing autoencoder compression methods, our model trains a complex prior jointly with the underlying autoencoder. We demonstrate that this model leads to state-of-the-art image compression when measuring visual quality using the popular MS-SSIM index, and yields rate-distortion performance surpassing published ANN-based methods when evaluated using a more traditional metric based on squared error (PSNR). Furthermore, we provide a qualitative comparison of models trained for different distortion metrics.

The recent surge of open-source large language models (LLMs) enables developers to create AI-based solutions while maintaining control over aspects such as privacy and compliance, thereby providing governance and ownership of the model deployment process. To utilize these LLMs, inference engines are needed. These engines load the model's weights onto available resources, such as GPUs, and process queries to generate responses. The speed of inference, or performance, of the LLM, is critical for real-time applications, as it computes millions or billions of floating point operations per inference. Recently, advanced inference engines such as vLLM have emerged, incorporating novel mechanisms such as efficient memory management to achieve state-of-the-art performance. In this paper, we analyze the performance, particularly the throughput (tokens generated per unit of time), of 20 LLMs using two inference libraries: vLLM and HuggingFace's pipelines. We investigate how various hyperparameters, which developers must configure, influence inference performance. Our results reveal that throughput landscapes are irregular, with distinct peaks, highlighting the importance of hyperparameter optimization to achieve maximum performance. We also show that applying hyperparameter optimization when upgrading or downgrading the GPU model used for inference can improve throughput from HuggingFace pipelines by an average of 9.16% and 13.7%, respectively.

Recent advances in diffusion models have revolutionized text-guided image editing, yet existing editing methods face critical challenges in hyperparameter identification. To get the reasonable editing performance, these methods often require the user to brute-force tune multiple interdependent hyperparameters, such as inversion timesteps and attention modification, etc. This process incurs high computational costs due to the huge hyperparameter search space. We consider searching optimal editing's hyperparameters as a sequential decision-making task within the diffusion denoising process. Specifically, we propose a reinforcement learning framework, which establishes a Markov Decision Process that dynamically adjusts hyperparameters across denoising steps, integrating editing objectives into a reward function. The method achieves time efficiency through proximal policy optimization while maintaining optimal hyperparameter configurations. Experiments demonstrate significant reduction in search time and computational overhead compared to existing brute-force approaches, advancing the practical deployment of a diffusion-based image editing framework in the real world.

Large language models achieve high task performance yet often hallucinate or rely on outdated knowledge. Retrieval-augmented generation (RAG) addresses these gaps by coupling generation with external search. We analyse how hyperparameters influence speed and quality in RAG systems, covering Chroma and Faiss vector stores, chunking policies, cross-encoder re-ranking, and temperature, and we evaluate six metrics: faithfulness, answer correctness, answer relevancy, context precision, context recall, and answer similarity. Chroma processes queries 13% faster, whereas Faiss yields higher retrieval precision, revealing a clear speed-accuracy trade-off. Naive fixed-length chunking with small windows and minimal overlap outperforms semantic segmentation while remaining the quickest option. Re-ranking provides modest gains in retrieval quality yet increases runtime by roughly a factor of 5, so its usefulness depends on latency constraints. These results help practitioners balance computational cost and accuracy when tuning RAG systems for transparent, up-to-date responses. Finally, we re-evaluate the top configurations with a corrective RAG workflow and show that their advantages persist when the model can iteratively request additional evidence. We obtain a near-perfect context precision (99%), which demonstrates that RAG systems can achieve extremely high retrieval accuracy with the right combination of hyperparameters, with significant implications for applications where retrieval quality directly impacts downstream task performance, such as clinical decision support in healthcare.

Model and hyperparameter selection are critical but challenging in machine learning, typically requiring expert intuition or expensive automated search. We investigate whether large language models (LLMs) can act as in-context meta-learners for this task. By converting each dataset into interpretable metadata, we prompt an LLM to recommend both model families and hyperparameters. We study two prompting strategies: (1) a zero-shot mode relying solely on pretrained knowledge, and (2) a meta-informed mode augmented with examples of models and their performance on past tasks. Across synthetic and real-world benchmarks, we show that LLMs can exploit dataset metadata to recommend competitive models and hyperparameters without search, and that improvements from meta-informed prompting demonstrate their capacity for in-context meta-learning. These results highlight a promising new role for LLMs as lightweight, general-purpose assistants for model selection and hyperparameter optimization.

As the use of artificial intelligence rapidly increases, the development of trustworthy artificial intelligence has become important. However, recent studies have shown that deep neural networks are susceptible to learn spurious correlations present in datasets. To improve the reliability, we propose a simple yet effective framework called controllable feature whitening. We quantify the linear correlation between the target and bias features by the covariance matrix, and eliminate it through the whitening module. Our results systemically demonstrate that removing the linear correlations between features fed into the last linear classifier significantly mitigates the bias, while avoiding the need to model intractable higher-order dependencies. A particular advantage of the proposed method is that it does not require regularization terms or adversarial learning, which often leads to unstable optimization in practice. Furthermore, we show that two fairness criteria, demographic parity and equalized odds, can be effectively handled by whitening with the re-weighted covariance matrix. Consequently, our method controls the trade-off between the utility and fairness of algorithms by adjusting the weighting coefficient. Finally, we validate that our method outperforms existing approaches on four benchmark datasets: Corrupted CIFAR-10, Biased FFHQ, WaterBirds, and Celeb-A.

Annotating data is a time-consuming and costly task, but it is inherently required for supervised machine learning. Active Learning (AL) is an established method that minimizes human labeling effort by iteratively selecting the most informative unlabeled samples for expert annotation, thereby improving the overall classification performance. Even though AL has been known for decades, AL is still rarely used in real-world applications. As indicated in the two community web surveys among the NLP community about AL, two main reasons continue to hold practitioners back from using AL: first, the complexity of setting AL up, and second, a lack of trust in its effectiveness. We hypothesize that both reasons share the same culprit: the large hyperparameter space of AL. This mostly unexplored hyperparameter space often leads to misleading and irreproducible AL experiment results. In this study, we first compiled a large hyperparameter grid of over 4.6 million hyperparameter combinations, second, recorded the performance of all combinations in the so-far biggest conducted AL study, and third, analyzed the impact of each hyperparameter in the experiment results. In the end, we give recommendations about the influence of each hyperparameter, demonstrate the surprising influence of the concrete AL strategy implementation, and outline an experimental study design for reproducible AL experiments with minimal computational effort, thus contributing to more reproducible and trustworthy AL research in the future.

Deep subspace clustering (DSC) algorithms face several challenges that hinder their widespread adoption across variois application domains. First, clustering quality is typically assessed using only the encoder's output layer, disregarding valuable information present in the intermediate layers. Second, most DSC approaches treat representation learning and subspace clustering as independent tasks, limiting their effectiveness. Third, they assume the availability of a held-out dataset for hyperparameter tuning, which is often impractical in real-world scenarios. Fourth, learning termination is commonly based on clustering error monitoring, requiring external labels. Finally, their performance often depends on post-processing techniques that rely on labeled data. To address this limitations, we introduce a novel single-view DSC approach that: (i) minimizes a layer-wise self expression loss using a joint representation matrix; (ii) optimizes a subspace-structured norm to enhance clustering quality; (iii) employs a multi-stage sequential learning framework, consisting of pre-training and fine-tuning, enabling the use of multiple regularization terms without hyperparameter tuning; (iv) incorporates a relative error-based self-stopping mechanism to terminate training without labels; and (v) retains a fixed number of leading coefficients in the learned representation matrix based on prior knowledge. We evaluate the proposed method on six datasets representing faces, digits, and objects. The results show that our method outperforms most linear SC algorithms with careffulyl tuned hyperparameters while maintaining competitive performance with the best performing linear appoaches.

In the realm of Large Language Models (LLMs), users commonly employ diverse decoding strategies and adjust hyperparameters to control the generated text. However, a critical question emerges: Are LLMs conscious of the existence of these decoding strategies and capable of regulating themselves? The current decoding generation process often relies on empirical and heuristic manual adjustments to hyperparameters based on types of tasks and demands. However, this process is typically cumbersome, and the decoding hyperparameters may not always be optimal for each sample. To address the aforementioned challenges, we propose a novel text generation paradigm termed Hyperparameter Aware Generation (HAG). By leveraging hyperparameter-aware instruction tuning, the LLM autonomously determines the optimal decoding strategy and configs based on the input samples, enabling self-regulation. Our approach eliminates the need for extensive manual tuning, offering a more autonomous, self-regulate model behavior. Experimental results spanning six datasets across reasoning, creativity, translation, and mathematics tasks demonstrate that hyperparameter-aware instruction tuning empowers the LLMs to self-regulate the decoding strategy and hyperparameter. HAG extends the current paradigm in the text generation process, highlighting the feasibility of endowing the LLMs with self-regulate decoding strategies.

Systems based on artificial neural networks (ANNs) have achieved state-of-the-art results in many natural language processing tasks. Although ANNs do not require manually engineered features, ANNs have many hyperparameters to be optimized. The choice of hyperparameters significantly impacts models' performances. However, the ANN hyperparameters are typically chosen by manual, grid, or random search, which either requires expert experiences or is computationally expensive. Recent approaches based on Bayesian optimization using Gaussian processes (GPs) is a more systematic way to automatically pinpoint optimal or near-optimal machine learning hyperparameters. Using a previously published ANN model yielding state-of-the-art results for dialog act classification, we demonstrate that optimizing hyperparameters using GP further improves the results, and reduces the computational time by a factor of 4 compared to a random search. Therefore it is a useful technique for tuning ANN models to yield the best performances for natural language processing tasks.

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through adaptive resource allocation and early-stopping. We formulate hyperparameter optimization as a pure-exploration non-stochastic infinite-armed bandit problem where a predefined resource like iterations, data samples, or features is allocated to randomly sampled configurations. We introduce a novel algorithm, Hyperband, for this framework and analyze its theoretical properties, providing several desirable guarantees. Furthermore, we compare Hyperband with popular Bayesian optimization methods on a suite of hyperparameter optimization problems. We observe that Hyperband can provide over an order-of-magnitude speedup over our competitor set on a variety of deep-learning and kernel-based learning problems.

The goal of this article is to provide an introduction to the desirability function approach to multi-objective optimization (direct and surrogate model-based), and multi-objective hyperparameter tuning. This work is based on the paper by Kuhn (2016). It presents a `Python` implementation of Kuhn's `R` package `desirability`. The `Python` package `spotdesirability` is available as part of the `sequential parameter optimization` framework. After a brief introduction to the desirability function approach is presented, three examples are given that demonstrate how to use the desirability functions for classical optimization, surrogate-model based optimization, and hyperparameter tuning.

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the effectiveness of five hyperparameter optimization (HPO) algorithms -- Random Search, Covariance Matrix Adaptation Evolution Strategy (CMA--ES), Bayesian Optimization, Partial Swarm Optimization (PSO), and Nevergrad Optimizer (NGOpt) across univariate and multivariate Short-Term Load Forecasting (STLF) tasks. Using the Panama Electricity dataset (n=48,049), we evaluate HPO algorithms' performances on a surrogate forecasting algorithm, XGBoost, in terms of accuracy (i.e., MAPE, R^2) and runtime. Performance plots visualize these metrics across varying sample sizes from 1,000 to 20,000, and Kruskal--Wallis tests assess the statistical significance of the performance differences. Results reveal significant runtime advantages for HPO algorithms over Random Search. In univariate models, Bayesian optimization exhibited the lowest accuracy among the tested methods. This study provides valuable insights for optimizing XGBoost in the STLF context and identifies areas for future research.

In this paper, we present a cross-entropy optimization method for hyperparameter optimization in stochastic gradient-based approaches to train deep neural networks. The value of a hyperparameter of a learning algorithm often has great impact on the performance of a model such as the convergence speed, the generalization performance metrics, etc. While in some cases the hyperparameters of a learning algorithm can be part of learning parameters, in other scenarios the hyperparameters of a stochastic optimization algorithm such as Adam [5] and its variants are either fixed as a constant or are kept changing in a monotonic way over time. We give an in-depth analysis of the presented method in the framework of expectation maximization (EM). The presented algorithm of cross-entropy optimization for hyperparameter optimization of a learning algorithm (CEHPO) can be equally applicable to other areas of optimization problems in deep learning. We hope that the presented methods can provide different perspectives and offer some insights for optimization problems in different areas of machine learning and beyond.

The study emphasizes the challenge of finding the optimal trade-off between bias and variance, especially as hyperparameter optimization increases in complexity. Through empirical analysis, three hyperparameter tuning algorithms Tree-structured Parzen Estimator (TPE), Genetic Search, and Random Search are evaluated across regression and classification tasks. The results show that nonlinear models, with properly tuned hyperparameters, significantly outperform linear models. Interestingly, Random Search excelled in regression tasks, while TPE was more effective for classification tasks. This suggests that there is no one-size-fits-all solution, as different algorithms perform better depending on the task and model type. The findings underscore the importance of selecting the appropriate tuning method and highlight the computational challenges involved in optimizing machine learning models, particularly as search spaces expand.

Large Language Models (LLMs) have sparked significant interest in their generative capabilities, leading to the development of various commercial applications. The high cost of using the models drives application builders to maximize the value of generation under a limited inference budget. This paper presents a study of optimizing inference hyperparameters such as the number of responses, temperature and max tokens, which significantly affects the utility/cost of text generation. We design a framework named EcoOptiGen which leverages economical hyperparameter optimization and cost-based pruning. Experiments with the GPT-3.5/GPT-4 models on a variety of tasks verify its effectiveness. EcoOptiGen is implemented in the `autogen' package of the FLAML library: https://aka.ms/autogen.

We first adopt a human-guided machine learning framework to develop a new dataset for hyperpartisan news title detection with 2,200 manually labeled and 1.8 million machine-labeled titles that were posted from 2014 to the present by nine representative media organizations across three media bias groups - Left, Central, and Right in an active learning manner. The fine-tuned transformer-based language model achieves an overall accuracy of 0.84 and an F1 score of 0.78 on an external validation set. Next, we conduct a computational analysis to quantify the extent and dynamics of partisanship in news titles. While some aspects are as expected, our study reveals new or nuanced differences between the three media groups. We find that overall the Right media tends to use proportionally more hyperpartisan titles. Roughly around the 2016 Presidential Election, the proportions of hyperpartisan titles increased in all media bias groups where the relative increase in the proportion of hyperpartisan titles of the Left media was the most. We identify three major topics including foreign issues, political systems, and societal issues that are suggestive of hyperpartisanship in news titles using logistic regression models and the Shapley values. Through an analysis of the topic distribution, we find that societal issues gradually receive more attention from all media groups. We further apply a lexicon-based language analysis tool to the titles of each topic and quantify the linguistic distance between any pairs of the three media groups. Three distinct patterns are discovered. The Left media is linguistically more different from Central and Right in terms of foreign issues. The linguistic distance between the three media groups becomes smaller over recent years. In addition, a seasonal pattern where linguistic difference is associated with elections is observed for societal issues.

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

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.

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

We introduce a framework based on bilevel programming that unifies gradient-based hyperparameter optimization and meta-learning. We show that an approximate version of the bilevel problem can be solved by taking into explicit account the optimization dynamics for the inner objective. Depending on the specific setting, the outer variables take either the meaning of hyperparameters in a supervised learning problem or parameters of a meta-learner. We provide sufficient conditions under which solutions of the approximate problem converge to those of the exact problem. We instantiate our approach for meta-learning in the case of deep learning where representation layers are treated as hyperparameters shared across a set of training episodes. In experiments, we confirm our theoretical findings, present encouraging results for few-shot learning and contrast the bilevel approach against classical approaches for learning-to-learn.

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 HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of parametric PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parametrizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that compares the physics of the generated PINN to the requested PDE and uses the discrepancy to generate a "delta" PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves over 100x gain in average L_2 loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptile-meta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems with significantly improved accuracy and reduced computational cost.

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 develop a method for training small-scale (under 100M parameter) neural information retrieval models with as few as 10 gold relevance labels. The method depends on generating synthetic queries for documents using a language model (LM), and the key step is that we automatically optimize the LM prompt that is used to generate these queries based on training quality. In experiments with the BIRCO benchmark, we find that models trained with our method outperform RankZephyr and are competitive with RankLLama, both of which are 7B parameter models trained on over 100K labels. These findings point to the power of automatic prompt optimization for synthetic dataset generation.

Reinforcement learning is essential for neural architecture search and hyperparameter optimization, but the conventional approaches impede widespread use due to prohibitive time and computational costs. Inspired by DeepSeek-V3 multi-token prediction architecture, we propose Sequential Policy Gradient modeling (SPG), a novel trajectory generation paradigm for lightweight online hyperparameter optimization. In contrast to conventional policy gradient methods, SPG extends the base model with temporary modules, enabling it to generate state-action (padded) trajectories in a single forward pass. Our experiments demonstrate that models gain performance when retrained with SPG on their original datasets and also outperform standard transfer fine-tuning. We evaluate on five datasets spanning computer vision (ImageNet, COCO), natural language processing (GLUE, SQuAD), and audio (SUPERB) to assess the industrial applicability of SPG. The proposed method demonstrates consistent improvements across widely adopted models, achieving performance gains of +0.2sim7%, with significantly low computational costs. Fully reproducible code and pre-trained models: https://huggingface.co/UniversalAlgorithmic/SPG.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box alternative, strategically allocating scarce resources incrementally to different configurations. However, the frequent surrogate model updates inherent to this approach pose challenges for existing methods, requiring retraining or fine-tuning their neural network surrogates online, introducing overhead, instability, and hyper-hyperparameters. In this work, we propose FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data fitted network (PFN) that leverages the transformers' in-context learning ability to efficiently and reliably do Bayesian learning curve extrapolation in a single forward pass. Our empirical analysis across three benchmark suites shows that the predictions made by FT-PFN are more accurate and 10-100 times faster than those of the deep Gaussian process and deep ensemble surrogates used in previous work. Furthermore, we show that, when combined with our novel acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO method (ifBO), yields new state-of-the-art performance in the same three families of deep learning HPO benchmarks considered in prior work.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

This paper studies using foundational large language models (LLMs) to make decisions during hyperparameter optimization (HPO). Empirical evaluations demonstrate that in settings with constrained search budgets, LLMs can perform comparably or better than traditional HPO methods like random search and Bayesian optimization on standard benchmarks. Furthermore, we propose to treat the code specifying our model as a hyperparameter, which the LLM outputs, going beyond the capabilities of existing HPO approaches. Our findings suggest that LLMs are a promising tool for improving efficiency in the traditional decision-making problem of hyperparameter optimization.

Parameter-efficient finetuning (PEFT) has become ubiquitous to adapt foundation models to downstream task requirements while retaining their generalization ability. However, the amount of additionally introduced parameters and compute for successful adaptation and hyperparameter searches can explode quickly, especially when deployed at scale to serve numerous individual requests. To ensure effective, parameter-efficient, and hyperparameter-robust adaptation, we propose the ETHER transformation family, which performs Efficient fineTuning via HypErplane Reflections. By design, ETHER transformations require a minimal number of parameters, are less likely to deteriorate model performance, and exhibit robustness to hyperparameter and learning rate choices. In particular, we introduce ETHER and its relaxation ETHER+, which match or outperform existing PEFT methods with significantly fewer parameters (sim10-100 times lower than LoRA or OFT) across multiple image synthesis and natural language tasks without exhaustive hyperparameter tuning. Finally, we investigate the recent emphasis on Hyperspherical Energy retention for adaptation and raise questions on its practical utility. The code is available at https://github.com/mwbini/ether.

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.

While existing work on neural architecture search (NAS) tunes hyperparameters in a separate post-processing step, we demonstrate that architectural choices and other hyperparameter settings interact in a way that can render this separation suboptimal. Likewise, we demonstrate that the common practice of using very few epochs during the main NAS and much larger numbers of epochs during a post-processing step is inefficient due to little correlation in the relative rankings for these two training regimes. To combat both of these problems, we propose to use a recent combination of Bayesian optimization and Hyperband for efficient joint neural architecture and hyperparameter search.

Modern machine learning algorithms crucially rely on several design decisions to achieve strong performance, making the problem of Hyperparameter Optimization (HPO) more important than ever. Here, we combine the advantages of the popular bandit-based HPO method Hyperband (HB) and the evolutionary search approach of Differential Evolution (DE) to yield a new HPO method which we call DEHB. Comprehensive results on a very broad range of HPO problems, as well as a wide range of tabular benchmarks from neural architecture search, demonstrate that DEHB achieves strong performance far more robustly than all previous HPO methods we are aware of, especially for high-dimensional problems with discrete input dimensions. For example, DEHB is up to 1000x faster than random search. It is also efficient in computational time, conceptually simple and easy to implement, positioning it well to become a new default HPO method.

While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This includes the LLM, embedding, and ranker models themselves, as well as hyperparameters governing individual RAG components. Yet, collectively optimizing the entire configuration in a RAG or LLM system remains under-explored - especially in multi-objective settings - due to intractably large solution spaces, noisy objective evaluations, and the high cost of evaluations. In this work, we introduce the first approach for multi-objective parameter optimization of cost, latency, safety and alignment over entire LLM and RAG systems. We find that Bayesian optimization methods significantly outperform baseline approaches, obtaining a superior Pareto front on two new RAG benchmark tasks. We conclude our work with important considerations for practitioners who are designing multi-objective RAG systems, highlighting nuances such as how optimal configurations may not generalize across tasks and objectives.