Hyperparameter Optimization

Gaussian Process (GP) kernels are central to Bayesian optimization (BO), yet designing effective kernels for high-dimensional problems still relies on extensive manual engineering. Existing automated approaches struggle in high dimensions for two bottlenecks: their kernel search space is limited to additions and multiplications of base kernels, and LLM-based approaches require conditioning on raw observations, which becomes infeasible due to context-length limits and the difficulty of extracting meaningful patterns. We introduce \textbf{Kernel Discovery}, a LLM-driven evolutionary framework for high-dimensional BO that searches a broader kernel space beyond predefined composition rules and does not require conditioning on observations. Motivated by the observation that directly prompting an LLM to generate kernel code yields syntactically varied but functionally identical kernels, we adopt a two-stage approach: an LLM first proposes novel mathematical forms, then a second LLM call converts each form into validated, executable code. We also propose a leave-one-out continuous ranked probability score (LOO-CRPS) as a selection criterion that penalizes overfitted kernels. On five high-dimensional BO benchmarks, our method achieves an average rank of \textbf{1.2 out of 17}, outperforming competitive baselines. We further analyze the discovered kernels to identify which kernels lead to improvements in high-dimensional BO.

Approximate nearest neighbor (ANN) indexes deployed against streaming corpora silently lose recall over weeks. The standard diagnosis is distribution shift, but under shuffled-i.i.d. ingestion -- no shift at all -- product quantization still degrades -3.8pp at sub-matched bit budgets. The dominant production compression methods (PQ, OPQ, ScaNN) all fit a codebook to an initial sample and reuse it as the database grows by orders of magnitude. This paper presents IVF-TQ, an inverted-file index whose residual compression layer is data-independent: a fixed random rotation followed by a precomputed Lloyd-Max scalar quantizer parameterised only by the bit width b and dimension d. Only the IVF coarse k-means partition is trained. A uniform-over-sphere inner-product error bound depending only on (b, d, delta) provides a structural guarantee no learned-codebook method admits. The same codebook-free design enables an IVF-amplification effect that closes the gap to Extended RaBitQ to within statistical noise (+17.7pp over flat TQ at matched bit budget), and an Adaptive variant that refreshes the partition without touching the compression layer. Across nine controlled cells (three 10M datasets, three PQ memory regimes, three seeds), per-batch PQ codebook retraining never recovers the streaming gap; IVF-PQ streaming stability requires per-dataset bit-budget tuning, while IVF-TQ holds at one fixed (b, d) configuration on all three datasets with Delta in [-0.80, +0.56]pp. The contribution is operational: no codebook to train, no per-dataset bit-budget tuning, no retraining cycle that ever closes the gap.

Modern machine learning forces practitioners to choose between powerful but expensive deep networks and fast but limited classical algorithms. Here we introduce Soft Learning, a framework that maintains a library of heterogeneous specialists -- spanning linear models, tree ensembles, kernel machines, and neural networks -- and discovers provably optimal combination weights through cross-validated non-negative least squares. Soft Learning is guaranteed to match or exceed the best weighted combination of its specialists, trains over two orders of magnitude faster than deep networks on CPU alone (72-435x faster across tested configurations), provides inherent interpretability through learned weights that reveal which algorithmic paradigm best fits the data, and is future-proof: adding specialists is mathematically guaranteed to maintain or improve performance. Across 37 datasets (25 classification, 12 regression) against nine methods including CatBoost and tuned deep networks, Soft Learning ranks first on 70% of tasks, achieves the best mean rank (Friedman test, p = 1.12 x 10^-12), and is the only method to simultaneously excel at both classification and regression -- all without GPU hardware or hyperparameter tuning. These results suggest a paradigm shift from "which algorithm is best?" to "what is the provably optimal combination?" -- a question Soft Learning answers with formal guarantees for any data modality.

Between the narrow systems we deploy and the general intelligence we speculate about lies an entire regime of machine behavior that has never received its own name. This monograph argues that this regime is not empty: it is where meta-learning, neural architecture search, AutoML, continual learning, evolutionary computation, and physics-informed modeling have quietly converged on a common principle, namely the steady removal of the human from the loop of parameter specification. We name this regime Artificial Adaptive Intelligence (AAI) and define it operationally: a system exhibits AAI to the extent that it requires no human-specified tunable hyperparameters while maintaining competitive performance across a diverse distribution of tasks. To make the definition quantitative, we introduce an adaptivity index that measures progress along an axis orthogonal to scale, combining the fraction of hyperparameters absorbed by the system with the performance ratio against a task-specialized baseline. We develop the principle of parametric minimality and ground it in the minimum description length framework, showing that the appropriate hyperparameter count is data-determined rather than designer-determined. We then organize the field around three pathways to minimality: data- and task-aware configuration, structural and evolutionary morphing, and in-training self-adaptation. We analyze their stability, convergence, and governance implications, and illustrate them through case studies spanning aerospace design, financial regime detection, turbulence modeling, ecological dynamics, and vision-language systems. The thesis is that the path from ANI to AGI passes through AAI, and that naming this stage changes what we measure, what we build, and what we call a success.

The minima of modern neural network loss functions are typically not isolated, rather they form connected components of reparameterization invariant solutions on the training data. Analytically characterizing these solutions is a hard problem, but sampling approaches are feasible. By construction, existing methods either spread over low-loss regions, and thus do not sample reparameterization invariant solutions exactly, or are inherently local, which limits exploration of other minima valleys. We propose sampling such reparameterization invariant models using a dynamical system based on kinetic energy, subject to a gravitational pull and a friction term that dissipates energy from the system. Our proposed sampler, DiMS, is guaranteed to sample exactly from the minimum level sets and depends on physically motivated hyperparameters which allows control over the exploration capabilities of the sampler. We consider uncertainty quantification in Bayesian inference as the motivating problem and observe improved performance compared to previously proposed approaches.

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

Learning-assisted algorithm design often has to make reliable search decisions under small evaluation budgets, where committing to a single metaheuristic can be unreliable. We propose WASHH, a Whale-guided Adaptive Selection Hyper-Heuristic for continuous black-box optimization. WASHH uses WOA as the main exploitation backbone, but treats PSO-style memory, GWO-style leader averaging, DE-style variation, local coordinate search, and anchor-guided refinement as selectable search behaviors. An online reward controller allocates evaluations according to observed improvements, while anchor refinement exploits inexpensive reference configurations such as box centers or default model settings without bypassing black-box evaluation. On ten 30-dimensional benchmark functions with 10 independent runs and 12,000 evaluations, WASHH achieves the best average rank, 1.10, and is best or tied best on all ten functions. It strictly improves over WOA on eight functions and ties WOA at the numerical optimum on Rastrigin and Griewank. We further study SVC hyperparameter configuration for breast cancer diagnosis under a 300-evaluation budget. WASHH obtains the lowest mean validation log loss among the compared optimizers, suggesting that anchor-aware selection hyper-heuristics are a practical lightweight direction for LEAD systems.

For most languages of the world, language model pre-training operates in a data-constrained regime where models must repeat their training data many times, degrading generalization. Two remedies exist: aggressive hyperparameter tuning such as high weight decay, and mixing in data from a high-resource auxiliary language to directly aid the low-resource target. While hyperparameter tuning regularizes the model by shrinking weights to restrict network capacity, auxiliary data mixing uses a tunable mixing ratio to expand the training distribution and diversify the training signal with new knowledge. Both offer a principled way to improve training in a data-constrained domain. We compare these levers systematically across four model scales from 150M to 1.43B parameters, using Arabic as the low-resource target and English as the auxiliary, over approximately 1000 pre-training runs. Three findings emerge. First, mixing yields larger improvements than hyperparameter tuning on both validation loss and downstream task accuracy, and the gap grows with model size. Second, we quantify how much mixing helps: it boosts performance by an amount equivalent to 2--3$\times$ the unique target data on validation loss and 2--13$\times$ on downstream task accuracy, with the gain scaling steeply with model size. Third, this divergence reveals that target-language validation loss systematically underestimates mixing's value. Mixing regularizes by diversifying the training signal and contributes knowledge the repeated target corpus cannot supply; validation loss captures only the first effect. Our practical recommendations are: mix in a high-resource language, prioritize the mixing ratio over hyperparameter tuning, and transfer hyperparameters from a small proxy model via $μ$P.

Reinforcement learning is structurally harder than supervised learning because the policy changes the data distribution it learns from. The resulting fragility is especially visible in large-model training, where the training and rollout systems differ in numerical precision, sampling, and other implementation details. Existing methods manage this fragility by adding hyper-parameters to the training objective, which makes the algorithm more sensitive to its configuration and requires retuning whenever the task, model scale, or distribution mismatch changes. This fragility traces to two concerns that current objectives entangle through hyper-parameters set before training begins: a trust-region concern, that updates should not move the policy too far from its current value, and an off-policy concern, that data from older or different behavior policies should influence the update only to the extent that it remains reliable. Neither concern is a constant to set in advance, and their severity is reflected in the policy-ratio distribution of the current batch. We present a simple yet effective batch-adaptive objective that replaces fixed clipping with the normalized effective sample size of the policy ratios. The same statistic caps the score-function weight and sets the strength of an off-policy regularizer, so the update stays close to the usual on-policy score-function update when ratios are nearly uniform, and tightens automatically when stale or mismatched data cause ratio concentration, while retaining a nonzero learning signal on high-ratio tokens. Experiments across a wide range of settings show that our method matches or exceeds tuned baselines, introducing no new objective hyper-parameters and removing several existing ones. The code is available at https://github.com/FeynRL-project/FeynRL.

Constant Liar (CL), Kriging Believer (KB), and fantasy models are widely used for batch selection in parallel Bayesian Optimization, yet a unified theory explaining their effectiveness and conditions under which they fail has been lacking. We identify efficient conditioning as the key surrogate property the ability to update predictions in closed form when data is augmented. We prove that Gaussian Processes satisfy this requirement, producing provably distinct batch points with separation of order l, and that this holds for any acquisition function monotonically non decreasing in posterior uncertainty (EI, UCB, PI), with qualitatively similar behavior for Thompson Sampling. We unify CL, KB, and fantasy models as instances of a single conditioning mechanism differing only in the lie value distribution, and draw quantitative connections to Local Penalization (LP) and qualitative connections to Determinantal Point Processes (DPPs). To disentangle model structure from optimizer randomness, we introduce the Structural Diversity Diagnostic (SDD), a reusable methodology for testing surrogate compatibility. Experiments on Hartmann6D, Ackley 8D, Levy10D, and SVM hyperparameter tuning validate all theoretical predictions: CL or KBs implicit penalty matches or outperforms explicit LP greedy conditioning achieves convergence on par with joint qEI efficient conditioning extends to Multiquadric RBF networks; and parametric surrogates produce degenerate batches even when fully retrained (random forests), while neural networks regain diversity only at 15x the wall clock cost of GP conditioning. Robustness is confirmed across multiple initial datasets and under observation noise.

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.

Bayesian optimization (BO) is a widely used framework for optimizing expensive black-box functions, commonly based on Gaussian process (GP) surrogate models. Its effectiveness relies on uncertainty quantification that is both sharp (informative) and well-calibrated along the BO trajectory. In practice, GP kernel hyperparameters are unknown and are refit online from sequentially collected (non-i.i.d.) data, which can yield miscalibrated or overly conservative uncertainty and lies outside the fixed-kernel assumptions of standard BO regret theory. We propose Online Sharp-Calibrated Bayesian Optimization (OSCBO), a BO algorithm that adaptively balances GP sharpness and calibration by casting hyperparameter selection as a constrained online-learning problem. We also show that OSCBO preserves sublinear regret bounds by leveraging the theoretical guarantees of the underlying online learning algorithm. Empirically, OSCBO performs competitively across synthetic and real-world benchmarks, ranking among the strongest methods in final simple regret while maintaining robust cumulative-regret behavior.

Stochastic bilevel optimization (SBO) has become a standard framework for hyperparameter learning, data reweighting, representation learning, and data-mixture optimization in deep learning. Existing exact single-loop SBO methods and memory-efficient surrogate SBO methods either create severe memory pressure for large lower-level neural networks or lack competitive convergence guarantees under standard assumptions. In this paper, we propose BROS, a memory-efficient single-loop SBO method with the same convergence rate order as exact single-loop SBO methods. BROS performs lower and auxiliary updates in randomized subspaces with a Rademacher bi-probe correction that recovers an unbiased Hessian-action estimator. We prove that BROS preserves the $\mathcal O(\varepsilon^{-2})$ sample complexity of MA-SOBA for finding an $\varepsilon$-stationary point under only standard assumptions. Experiments on hyper-data cleaning, data-mixture learning, hyper-representation learning, and ViT sample reweighting show that BROS reduces peak memory by up to 44.9% while closely matching full-space baseline performance.

Dense Associative Memory (DenseAM) is a promising family of AI architectures that is represented by a neural network performing temporal dynamics on an energy landscape. While hyperparameter transfer methods are well-studied for feed-forward networks, these methods have not been developed for settings in which weights are shared across layers and within the layer, which is common in DenseAMs. Additionally, DenseAMs utilize rapidly peaking activation functions that are rarely used in feed-forward architectures. The confluence of these aspects makes DenseAM a challenging framework for using existing methods for hyperparameter transfer. Our work initiates the development of hyperparameter transfer methods for this class of models. We derive explicit prescriptions for how the hyperparameters tuned on small models can be transferred to models trained at scale. We demonstrate excellent agreement between these theoretical findings and empirical results.

We present AQMP, a novel image codec combining Adaptive Quadtree Refinement with Matching Pursuit. Unlike conventional Matching Pursuit methods that operate on fixed-size sub-images, AQMP dynamically adapts block sizes to local image structure, allocating finer partitions where the image is complex and coarser ones where it is smooth. This adaptivity yields superior compression ratios compared to fixed-size block Matching Pursuit at equivalent image quality, while offering significant parallelization opportunities at both the tree-leaf level and during compression of individual nodes. The algorithm is governed by user-specified accuracy and sparsity parameters alongside a small set of additional hyperparameters. To navigate the trade-off between compression efficiency and visual quality, we perform multi-objective hyperparameter optimization using the Tree-Structured Parzen Estimator, producing comprehensive Pareto fronts. Experimental results show that AQMP achieves up to $4\times$ higher compression rates than JPEG at comparable SSIM values, while maintaining competitive quality across a broad range of compression regimes. Performance evaluation is provided using a representative set of test images. To ensure reproducibility and promote adoption, we have made our implementation publicly available on GitHub under the MIT license.

In the recent literature, Support Vector Regression (SVR) has been cited as one of the weakest performers on the California Housing benchmark dataset, with Preethi et al. (2025)specifically ranking it last among the algorithms they tested, reporting an R2 of only 0.60. This paper examines whether the previously reported performance reflects experimental configuration choices rather than an inherent algorithmic limitation. A structured experimental workflow is applied: ten domain-motivated derived features are constructed from the eight raw inputs, an exploratory ensemble feature importance analysis identifies the most predictive candidates, and a randomised search over hyperparameter combinations with three-fold cross-validation selects the optimal SVR configuration within a leakage-safe scikit-learn Pipeline. A formal four-stage ablation study isolates the contribution of each component: scaling alone accounts for +0.744 in R2 (from -0.054 to 0.690), feature engineering adds +0.026 (to 0.716), and hyperparameter tuning contributes +0.008 (to 0.723). The resulting tuned SVR achieves a test R2 of 0.723, a 0.123-point absolute improvement over the previously reported SVR result (from 0.60 to 0.723, approximately 20% relative gain). In the ten-model comparison, the tuned SVR ranks fourth with R2 = 0.723, below XGBoost (0.832), Random Forest (0.814) and Gradient Boosting (0.783), while substantially outperforming simpler baselines. Ten-fold cross-validation yields a mean R2 of 0.703 (95% CI: [0.630, 0.775]), confirming robust generalisation. The observed improvement from R2 = 0.60 to R2 = 0.723 is associated primarily with proper feature scaling within a unified preprocessing pipeline, with domain-motivated feature engineering and systematic hyperparameter tuning, providing further incremental gains.

Retrieval-Augmented Generation (RAG) is sensitive to the vast hyperparameters of the retriever and generator, yet optimizing them using given queries is a challenging task due to the complex interactions and expensive evaluation costs. Existing algorithms are ineffective and slow in convergence, since they often treat RAG as a monolithic black box or only optimize partial hyperparameters. In this paper, we propose CDS4RAG, a framework that optimizes the full RAG hyperparameters using given queries via a new cyclic dual-sequential formulation. CDS4RAG is special in the sense that it distinguishes the hyperparameters of the retriever and generator, cyclically optimizing them in turn. Such a paradigm allows us to design fine-grained within-cycle budget provision and expedite the optimization via cross-cycle seeding when optimizing the generator. CDS4RAG is also an algorithm-agnostic framework that can be paired with diverse general algorithms. Through experiments on four common benchmarks and two backbone LLMs, we reveal that CDS4RAG considerably boosts the vanilla algorithms in 21/24 cases while significantly outperforming state-of-the-art algorithms in all cases with up to 1.54x improvements of generation quality and better speedup.

Feedback-based adaptive quantum optimization (FALQON) is a promising approach for solving combinatorial problems on noisy intermediate-scale quantum (NISQ) devices, requiring only single circuit evaluations per layer. However, standard FALQON relies on fixed hyperparameters that severely limit convergence speed, requiring hundreds to thousands of layers for acceptable solutions. This paper proposes Optimal FALQON, an optimization-based formulation that treats the per-layer time step ($δ_k$) and scaling factor ($M_k$) as decision variables optimized via classical methods. We present a comprehensive empirical study on all 94 non-isomorphic 3-regular graphs with 12 vertices, comparing Optimal FALQON with standard FALQON and multiple QAOA variants. Results demonstrate statistically significant improvements in success probability, evaluation efficiency, and depth-normalized cost across the evaluated benchmarks. Furthermore, initializing QAOA with parameters from Optimal FALQON yields superior warm-start performance compared to fixed initialization.

Modern deep models are often pretrained on large-scale data with missing labels using composite objectives, where the relative weights of multiple loss terms act as hyperparameters. Tuning these weights with random search or Bayesian optimization is computationally expensive, as it requires many independent training runs. To address this, we propose a gradient-based bilevel method that learns pretraining loss weights online by aligning the composite pretraining gradient with a downstream objective. By exploiting the structure of the loss, the method avoids the multiple backward passes typically required by truncated backpropagation through the full model, reducing the overhead of hyperparameter tuning to approximately 30% above a single training run. We evaluate the approach on event-sequence modeling and self-supervised computer vision, where it matches or improves upon carefully tuned baselines while substantially reducing the cost of hyperparameter tuning compared to random or Bayesian search.

Classifier-Free Guidance (CFG) is a widely used mechanism for controlling diffusion-based generative models, yet its guidance scale is typically treated as a fixed hyperparameter throughout generation. This static design yields a suboptimal controllability and quality tradeoff, as the optimal degree of guidance varies across tasks and across different stages of the diffusion process, especially in NLP domain. We recast CFG scale selection as a sequential decision-making problem and propose to learn dynamic guidance trajectories via reinforcement learning. Specifically, we model the guidance scale as a discrete control action selected at each generation step based on the evolving diffusion state, and optimize a policy using Proximal Policy Optimization (PPO) under task-level rewards. Experiments on three controlled NLP generation tasks using discrete diffusion language models demonstrate that adaptive guidance consistently achieves a better balance between controllability and generation quality than fixed-scale strategies. Further analysis of the learned policies reveals distinct and interpretable guidance trajectories across tasks, underscoring the importance of treating guidance as a dynamic control process rather than a static design choice.

Large Language Model (LLM) systems have been the frontier of AI in many application domains, leading to new challenges and opportunities for hyperparameter optimization (HPO) for the AutoML community. However, this type of system exhibits an unprecedented compound space of hyperparameter configuration from both the AI and non-AI components; rich and nonlinear implications from the fidelity factors; and diverse costs of measuring hyperparameter configurations, none of which have been fully captured in existing benchmarks. This paper presents the first (live) benchmark suite and datasets for HPO of real-world LLM systems, dubbed LLMSYS-HPOBench, covering data related to the inference objective values of hyperparameter configurations profiled from running the LLM systems. Currently, LLMSYS-HPOBench contains 364,450 hyperparameter configurations with a dimensionality of 12-23, 3-5 dimensions of fidelity factor leading to 932 settings, 3-9 inference objective metrics, and 2-10 cost metrics, together with generated logs from measuring the LLM systems. What we seek to advocate is not only a revalidation of the existing HPO algorithms over the frontier LLM systems, but also to provide an evolving platform for the AutoML community to explore new directions of research in this regard. The benchmark suite has been made available at: https://github.com/ideas-labo/llmsys-hpobench

Denoising score matching (DSM) provides a way to learn data distributions by training a neural network to recover the score function, defined as the gradient of the log density, from noise-corrupted samples. Once trained, the score magnitude at a test point reflects how consistent that point is with the learned distribution, making it a natural anomaly signal. The key practical challenge is selecting the perturbation scale: too little noise yields unstable score estimates in sparse regions, while too much erases local structure and weakens anomaly sensitivity. This is compounded by the difficulty of hyperparameter tuning when anomalies are unknown and no validation set is available. We introduce kurtosis-based noise scaling (K-DSM), a per-feature scheme that sets noise levels from the shape of each marginal distribution, improving coverage of low-density regions and precision in high-density regions without extra model complexity. Contrary to prior claims that multi-scale or noise-conditioned training is necessary, we find that a carefully trained single-scale model is already a strong anomaly detector. On standard tabular anomaly detection benchmarks, K-DSM achieves state-of-the-art performance in the semi-supervised setting. When combined with a lightweight EMA-teacher filtering rule that removes low-density training points before each gradient step, it also achieves strong performance in the fully unsupervised (contaminated) setting, suggesting that simple, data-adaptive noise scaling enables robust anomaly detection while reducing reliance on hyperparameter tuning.

We propose a distributionally robust approach to learning hyperparameters for first-order methods in convex optimization. Given a dataset of problem instances, we minimize a Wasserstein distributionally robust version of the performance estimation problem (PEP) over algorithm parameters such as step sizes. Our framework unifies two extremes: as the robustness radius vanishes, we recover classical learning to optimize (L2O); as it grows, we recover worst-case optimal algorithm design via PEP. We solve the resulting problem with stochastic gradient descent, differentiating through the solution of an inner semidefinite program at each step. We prove high-probability bounds showing that the true risk of the learned algorithm is at most the in-sample L2O optimum plus a slack that shrinks with the sample size, and is no worse than the worst-case PEP bound. On unconstrained quadratic minimization, LASSO, and linear programming benchmarks, our learned algorithms achieve strong out-of-sample performance with certifiable robustness, outperforming both worst-case optimal and vanilla L2O baselines.

Bayesian optimization is widely used for hyperparameter optimization when model evaluations are expensive; however, noisy acquisition estimates can lead to unstable decisions. We identify acquisition estimation noise as a failure mode that was previously overlooked: even when the surrogate model and acquisition target are correctly specified, finite-sample Monte Carlo error can perturb acquisition values. This can, in turn, flip candidate rankings and lead to suboptimal BO decisions. As a remedy, we aim at variance reduction and propose an orthogonal acquisition estimator that subtracts an optimally weighted score-function control variate, which yields an acquisition residual orthogonal to posterior score directions and which thus reduces Monte Carlo variance. We further introduce OrthoBO: a Bayesian optimization framework that combines our orthogonal acquisition estimator with ensemble surrogates and an outer log transformation. We show theoretically that our estimator preserves the target, leads to variance reduction, and improves pairwise ranking stability. We further verify the theoretical properties of OrthoBO through numerical experiments where our framework reduces acquisition estimation variance, stabilizes candidate rankings, and achieves strong performance. We also demonstrate the downstream utility of OrthoBO in hyperparameter optimization for neural network training and fine-tuning.

The performance of end-to-end automatic speech recognition (ASR) systems enables their increasing integration into numerous applications. While there are various benefits to such speech-to-text systems, the choice of hyperparameters and models plays a crucial role in their performance. Typically, these choices are determined by considering only the character (CER) and/or word error rate (WER) metrics. However, it has been shown in several studies that these metrics are largely incomplete and fail to adequately describe the downstream application of automatic transcripts. In this paper, we conduct a qualitative study on the French language that investigates the impact of subword tokenization algorithms and self-supervised learning models from different linguistic and acoustic perspectives, using a comprehensive set of evaluation metrics.

Despite significant advances in Reinforcement Learning (RL), model performance remains highly sensitive to algorithm and hyperparameter configurations, while generalization gaps across environments complicate real-world deployment. Although prior work has studied RL generalization, the relative contribution of specific configurations to the generalization gap has not been quantitatively decomposed and systematically leveraged for configuration selection. To address this limitation, we propose an explainable framework that evaluates RL performance across robotic environments using SHapley Additive exPlanations (SHAP) to quantify configuration impacts. We establish a theoretical foundation connecting Shapley values to generalizability, empirically analyze configuration impact patterns, and introduce SHAP-guided configuration selection to enhance generalization. Our results reveal distinct patterns across algorithms and hyperparameters, with consistent configuration impacts across diverse tasks and environments. By applying these insights to configuration selection, we achieve improved RL generalizability and provide actionable guidance for practitioners.

Hyperledger Fabric performance depends on many interacting configuration parameters, making manual tuning difficult. We study automated throughput tuning by treating benchmarking as a noisy black-box optimization problem and applying Bayesian optimization (BO) with dimensionality reduction (DR). We implement an end-to-end Caliper-in-the-loop pipeline that deploys candidate configurations, benchmarks them, and updates the optimizer from observed throughput. The search space, derived from Fabric configuration files, has 317 dimensions. In a cloud testbed, we evaluate 16 BO+DR variants and a random-search baseline. The best method, DYCORS-PCA, achieves a 12% TPS improvement relative to the first evaluated configuration, while MPI-REMBO achieves 9%. These results suggest that BO with DR is a practical approach for high-dimensional Hyperledger Fabric tuning, while also highlighting the role of measurement noise in interpreting gains.

Near-infrared (NIR; a.k.a.\ NIRS) deep-learning studies in chemometrics increasingly report mutually inconsistent conclusions regarding convolutional neural network (CNN) design, including small versus large kernels, shallow versus deep architectures, raw spectra versus preprocessing, and single-domain training versus transfer learning. As a result, the same architecture can appear superior in one study and inferior in another, creating a practical impasse for chemometric practitioners. In this review, we argue that these contradictions are not evidence of irreconcilable methods but a structurally expected consequence of uncontrolled moderating variables. Specifically, we trace recurring disagreements to (i) the indirect nature of Vis--NIR measurement in water-dominated matrices, (ii) mismatch between effective receptive field (ERF) and the width of informative spectral structure, and (iii) validation design (including split strategy, hyperparameter tuning budget, and exposure to deployment-like shifts) acting as a hidden hyperparameter that can dominate model ranking. Building on evidence from published chemometrics and spectroscopy studies, we propose a conditional design framework that links architecture and preprocessing choices to spectral physics, dataset regime, and intended deployment scenario. Overall, the proposed perspective moves DL Chemometrics from template-driven architecture selection toward reproducible, physics-aware, and deployment-aligned model comparison.

This paper introduces the use of per-class regularization hyperparameters in Gabriel graph-based binary classifiers. We demonstrate how the quality index used for regularization behaves both in the margin region and in the presence of outliers, and how incorporating this regularization flexibility can lead to solutions that effectively eliminate outliers while training the classifier. We also show how it can address class imbalance by generating higher and lower thresholds for the majority and minority classes, respectively. Thus, rather than having a single solution based on fixed thresholds, flexible thresholds expand the solution space and can be optimized through hyperparameter tuning algorithms. Friedman test shows that flexible thresholds are capable of improving Gabriel graph-based classifiers.

Retrieval-Augmented Generation (RAG) enhances LLMs, but performance is highly sensitive to complex architecture designs and hyper-parameter configurations, which currently rely on inefficient manual tuning. We present AutoRAGTuner, a declarative, configuration-driven framework that automates the RAG life cycle: construction, execution,evaluation, and optimization. AutoRAGTuner employs a modular architecture to decouple pipeline stages through a component registration mechanism. To unify heterogeneous data, we introduce the Domain-Element Model (DEM), representing objects as atomic elements with bidirectional pointers to support nodes, edges, and hyperedges. Furthermore, AutoRAGTuner integrates an adaptive Bayesian optimization engine for end-to-end hyper-parameter tuning. Experimental results demonstrate AutoRAGTuner's architectural generality: across diverse RAG pipelines, ranging from vanilla to graph-based, the framework consistently outperforms default baselines. Notably, AutoRAGTuner significantly mitigates engineering overhead, where its declarative configuration language enables a up to 95% reduction in code churn for architectural adjustments. Overall, AutoRAGTuner provides a systematically optimizable foundation for building evolvable and reusable RAG systems.

The Normalized Transformer, or nGPT (arXiv:2410.01131) achieves impressive training speedups and does not require weight decay or learning rate warmup. However, despite having hyperparameters that explicitly scale with model size, we observe that nGPT does not exhibit learning rate transfer across model dimension and token horizon. To rectify this, we combine numerical experiments with a principled use of alignment exponents (arXiv:2407.05872) to revisit and modify the $μ$P approach to hyperparameter transfer (arXiv:2011.14522). The result is a novel nGPT parameterization we call $ν$GPT. Through extensive empirical validation, we find $ν$GPT exhibits learning rate transfer across width, depth, and token horizon.

3D Gaussian Splatting (3DGS) achieves high-quality novel view synthesis with real-time rendering, but its storage cost remains prohibitive for practical deployment. Existing post-training compression methods still rely on many coupled hyperparameters across pruning, transformation, quantization, and entropy coding, making it difficult to control the final compressed size and fully exploit the rate-distortion trade-off. We propose MesonGS++, a size-aware post-training codec for 3D Gaussian compression. On the codec side, MesonGS++ combines joint importance-based pruning, octree geometry coding, attribute transformation, selective vector quantization for higher-degree spherical harmonics, and group-wise mixed-precision quantization with entropy coding. On the configuration side, it treats the reserve ratio and bit-width allocation as the dominant rate-distortion knobs and jointly optimizes them under a target storage budget via discrete sampling and 0--1 integer linear programming. We further propose a linear size estimator and a CUDA parallel quantization operator to accelerate the hyperparameter searching process. Extensive experiments show that MesonGS++ achieves over 34$\times$ compression while preserving rendering fidelity, outperforming state-of-the-art post-training methods and accurately meeting target size budgets. Remarkably, without any training, MesonGS++ can even surpass the PSNR of vanilla 3DGS at a 20$\times$ compression rate on the Stump scene. Our code is available at https://github.com/mmlab-sigs/mesongs_plus

The vulnerabilities of deep neural networks against singularities have raised serious concerns regarding their deployment in the physical world. One of the most prominent and impactful physical-world adversarial perturbations is the attachment of patches to clean images, known as an adversarial patch attack. Similarly, natural noises such as Gaussian and Salt&Pepper are highly prevalent in the real world. The current research need arises from the above vulnerabilities and the lack of efforts to tackle these two singularities independently and, especially, in combination. In this research, we have, for the first time, combined these two prominent singularities and proposed a novel dataset. Using this dataset, we have conducted a benchmark study of singularity data-point detection using features from several convolutional neural networks. For classification, rather than the popular neural network-based parameter tuning, we have used traditional yet effective machine learning classifiers. The extensive experiments across various in- and out-of-distribution (OOD) singularities reveal several interesting findings about the effectiveness of classifiers and show that it is hard to defend against adversaries when they are treated independently, and inefficient classifiers are selected.

Probabilistic Transformer (PT), a white-box probabilistic model for contextual word representation, has demonstrated substantial similarity to standard Transformers in both computational structure and downstream task performance on small models and small to medium sized datasets. However, PT is less robust to hyperparameter choices than standard Transformers, making it harder to scale efficiently. In this work, we follow Maximal Update Parametrization (muP) to rescale PT's parameters, so that hyperparameters optimized on small models can be transferred to larger models without additional tuning. With this approach, we successfully scale PT to models with up to 0.4B parameters. Experiments show that PT consistently outperforms standard transformer under the same parameter budget on Masked Language Modeling (MLM) tasks. We hope this work will contribute to the practical deployment of probabilistic models at substantially larger scales in the future.

Deploying machine learning models under production constraints requires joint optimization over model family, quantization scheme, runtime backend, and serving configuration. This induces a hierarchical mixed-variable search space in which many configurations are invalid: evaluations may crash, exceed memory limits, or violate latency constraints. Standard black-box optimizers such as Tree-structured Parzen Estimators (TPE) and constrained Bayesian optimization are effective when valid configurations are common, but they can spend a large fraction of a small evaluation budget on invalid or uninformative trials in hostile deployment spaces. This paper studies that regime and asks whether optimization should be decomposed into an explicit exploration stage followed by model-guided exploitation. We propose Thermal Budget Annealing (TBA), a feasible-first exploration procedure that maps valid and feasible regions before warm-starting TPE. The method includes two robustness mechanisms for hostile hardware: trial timeouts that abort clearly infeasible evaluations early, and subspace blacklisting that temporarily suppresses categorical subspaces after repeated failures. We also introduce DeployBench, a benchmark suite for deployment optimization with hierarchical structure, hidden crash zones, hard constraints, and unequal evaluation costs. On synthetic benchmarks and real GPU deployment with five pre-trained vision models across five GPU targets (NVIDIA H100, A100, RTX 5080, L4, and T4), the proposed hybrid improves model-family discovery under tight constraints while reducing wasted budget relative to cold-start TPE.

OpenClaw requests are dominated by long, tool-augmented prefixes, including system prompts, conversation history, and tool outputs fed back into the context window. For this workload, with about 28k-30k input tokens and 500 output tokens per request, serving quality is governed by throughput, TTFT, and tail latency rather than short-prompt throughput alone. This report studies GLM-5 serving-parameter tuning within a MaaS multi-model inference optimization architecture. The scope is the Single-Node Optimization block of the inference-optimization layer, where chunked prefill, tensor parallelism (TP), pipeline parallelism (PP), and request concurrency are tuned for one GLM-5 serving deployment; in this report, "Single-Node Optimization" denotes the architecture block, while experiments run on a two-node, sixteen-GPU cluster. Within the tested space, the best configuration is chunked-prefill-size=3072, tp=4, pp-size=4, and max-running-requests=24. Compared with the conservative 2048/4/4/16 baseline, it increases request throughput from 0.43 to 0.48 req/s and total token throughput from 9029.64 to 9993.23 tok/s, while reducing average TTFT from 8.98 to 6.69 s and latency P90 from 40.23 to 32.64 s. Under the same hardware footprint, this corresponds to an estimated 10.4% lower serving cost per request and 9.6% lower cost per token. The results show that the optimum is workload-specific: larger chunk sizes and deeper queueing do not monotonically improve performance. We therefore recommend 3072 / tp4 / pp4 / max24 as the default OpenClaw deployment profile.

Offline preference optimization methods, such as Direct Preference Optimization (DPO), offer significant advantages in aligning Large Language Models (LLMs) with human values. However, achieving optimal performance with these methods typically involves additional hyperparameter tuning, resulting in substantial time overhead. Although prior work has proposed a range of improvements, these methods remain limited in effectiveness and have not fully eliminated reliance on hyperparameter tuning. In this work, we propose RMiPO, a lightweight and efficient framework for offline preference optimization. RMiPO leverages intrinsic Response-level Mutual information for Preference Optimization with hyperparameter modulation, dynamically decoupling preference contributions at negligible additional computational cost. Extensive experimental results demonstrate that RMiPO achieves consistently superior performance over existing methods while reducing training overhead by more than 15%. Our code is available at https://github.com/liavonpenn/rmipo.

Scaling laws are used to plan multi-million-dollar training runs, but fitting those laws can itself cost millions. In modern large-scale workflows, assembling a sufficiently informative set of pilot experiments is already a major budget-allocation problem rather than a routine preprocessing step. We formulate scaling-law fitting as budget-aware sequential experimental design: given a finite pool of runnable experiments with heterogeneous costs, choose which runs to execute so as to maximize extrapolation accuracy in a high-cost target region. We then propose an uncertainty-aware method for sequentially allocating experimental budget toward the runs most useful for target-region extrapolation. Across a diverse benchmark of scaling-law tasks, our method consistently outperforms classical design-based baselines, and often approaches the performance of fitting on the full experimental set while using only about 10% of the total training budget. Our code is available at https://github.com/PlanarG/active-sl.

Benchmarking of open-source LLMs for hardware design focuses on which LLMs to use, while treating inference-time decoding configuration as a secondary concern. This work shows that it matters more how an LLM is configured than which model is selected. Benchmarking 26 open-source LLMs on VerilogEval and RTLLM with synthesis-in-the-loop evaluation, the study first maps the current capability landscape and then conducts an extensive 108-configuration hyperparameter sweep on three prominent models. The sweep reveals absolute pass-rate gaps of up to 25.5% between the best and worst settings for the same LLM, which is 5x larger than the average spread observed across various model families under their respective default configurations. Ranking all configurations by Spearman's $ρ$ across the two benchmark suites yields near-zero correlation, demonstrating that optimal configurations do not transfer. These results show that benchmarking conducted under default hyperparameters confounds model capabilities with configuration effects. Realizing the full potential of open-source LLMs for RTL generation requires architecture and benchmark aware hyperparameter selection, as enabled by the proposed methodology.

Parameter-free stochastic optimization aims to design algorithms that are agnostic to the underlying problem parameters while still achieving convergence rates competitive with optimally tuned methods. While some parameter-free methods do not require the specific values of the problem parameters, they still rely on prior knowledge, such as the lower or upper bounds of them. We refer to such methods as partially parameter-free''. In this work, we target achieving fully parameter-free'' methods, i.e., the algorithmic inputs do not need to satisfy any unverifiable condition related to the true problem parameters. We propose a powerful and general grid search framework, named \textsc{Grasp}, with a novel self-bounding analysis technique that effectively determines the search ranges of parameters, in contrast to previous work. Our method demonstrates generality in: (i) the non-convex case, where we propose a fully parameter-free method that achieves near-optimal convergence rate, up to logarithmic factors; (ii) the convex case, where our parameter-free methods are competitive with strong performance in terms of acceleration and universality. Finally, we contribute a sharper guarantee for the model ensemble, a final step of the grid search framework, under interpolated variance characterization.

Large language models (LLMs) with a large number of parameters achieve strong performance but are often prohibitively expensive to deploy. Recent work explores using teams of smaller, more efficient LLMs that collectively match or even outperform a single large model. However, jointly updating multiple agents introduces compounding distribution shifts, making coordination and stability during training difficult. We address this by introducing Sequential Agent Tuning (SAT), a coordinator-free training paradigm. SAT represents the team as a factorized policy and employs block-coordinate updates over agents, enabling scalable, decentralized training without a central controller. Specifically, we develop a sequence-aware, on-policy advantage estimator that conditions on the evolving team policy, coupled with per-agent KL trust regions that isolate occupancy drift. Theoretically, this framework provides two critical guarantees. First, it ensures monotonic improvement, stabilizing the training process. Second, it establishes provable plug-and-play invariance: any agent can be upgraded to a stronger model without retraining the rest of the team, with a formal guarantee that the performance bound improves. Empirically, a team of three 4B agents (12B total) trained with SAT surpasses the much larger Qwen3-32B on AIME24/25 benchmarks by 3.9% on average. We validate our plug-and-play theory by swapping in two 8B agents, which boosts the composite score by 10.4%. We provide code and appendix of proof at https://github.com/Yydc/SAT-AAMAS

Chronic rhinosinusitis (CRS) is a common heterogeneous inflammatory disorder that causes substantial morbidity and healthcare costs. CRS is difficult to identify early from routine encounters, as symptom presentations overlap with common conditions such as allergic rhinitis, and heterogeneous phenotypes further obscure risk patterns. Prior predictive studies often rely on single-institutional cohorts , which reduce population-level generalizability. To overcome this, we leveraged nationwide longitudinal EHR data from the \textit{All of Us} Research Program to predict CRS diagnosis using two years of pre-diagnostic history. To address extreme feature sparsity and dimensionality in coded EHR data, we implemented a hybrid feature-selection pipeline that combines prevalence-based statistical screening with model-based importance ranking, compressing approximately 110,000 candidate codes into 100 interpretable features. To capture demographic heterogeneity, we trained demographic stratified models across six adult sex and life-stage subgroups with subgroup-specific hyperparameter tuning. Our framework achieved an overall AUC of 0.8461, improving discrimination by 0.0168 over the best baseline. These results demonstrate that routinely collected EHR data may support population-representative CRS risk stratification and inform earlier triage and referral prioritization in primary care.

Augmentation has become a central technique for improving deep forecasting models, but classification-style transformations tend to break the coherence between the look-back window and its continuous future target. We describe a simple procedure that unfolds the joint input-target sequence into overlapping sliding windows, randomly reorders a controlled fraction of them-prioritized by a lightweight variance criterion-and reconstructs the sequence by averaging across the overlaps, producing synthetic samples with controlled variation while limiting temporal distortion. The procedure is model-agnostic, introduces only three interpretable hyperparameters, and achieves strong improvements over a comprehensive set of competing augmentations across nine long-term forecasting benchmarks with five backbone families (TSMixer, DLinear, PatchTST, TiDE, LightTS) and four short-term traffic benchmarks with PatchTST. Component-wise ablations, hyperparameter sensitivity studies, distributional-alignment diagnostics, probabilistic forecasting evaluation, and a transfer experiment to univariate and multivariate time series classification clarify the contribution of each design choice.

Fine-tuning foundation models for Earth Observation is computationally expensive, with high training time and memory demands for both training and deployment. Parameter-efficient methods reduce training cost but retain full inference complexity, while post-hoc compression optimizes inference only after costly full fine-tuning. We introduce SIMPLER, a pre-fine-tuning architecture selection method that reduces inference and deployment costs by identifying an effective model depth before adaptation. SIMPLER exploits stabilization of representations in deeper layers of pre-trained vision transformers: it computes layer-wise representation similarity on unlabeled task data and applies an automated scoring function to select redundant layers, with no gradients, magnitude heuristics, or hyperparameter tuning required. On Prithvi-EO-2, SIMPLER prunes up to 79% of parameters while retaining 94% of baseline performance, yielding a 2.1x training speedup and 2.6x inference speedup. The method generalizes to TerraMind (a multimodal EO foundation model) and ImageNet-pretrained ViT-MAE, demonstrating applicability across tasks, architectures, and spectral modalities. Code is available at https://gitlab.citius.gal/hpc4rs/simpler.

Autonomous navigation in highly constrained environments remains challenging for mobile robots. Classical navigation approaches offer safety assurances but require environment-specific parameter tuning; end-to-end learning bypasses parameter tuning but struggles with precise control in constrained spaces. To this end, recent robot learning approaches automate parameter tuning while retaining classical systems' safety, yet still face challenges in generalizing to unseen environments. Recently, Vision-Language-Action (VLA) models have shown promise by leveraging foundation models' scene understanding capabilities, but still struggle with precise control and inference latency in navigation tasks. In this paper, we propose Adaptive Planner Parameter Learning from Vision-Language-Action Model (\textsc{applv}). Unlike traditional VLA models that directly output actions, \textsc{applv} leverages pre-trained vision-language models with a regression head to predict planner parameters that configure classical planners. We develop two training strategies: supervised learning fine-tuning from collected navigation trajectories and reinforcement learning fine-tuning to further optimize navigation performance. We evaluate \textsc{applv} across multiple motion planners on the simulated Benchmark Autonomous Robot Navigation (BARN) dataset and in physical robot experiments. Results demonstrate that \textsc{applv} outperforms existing methods in both navigation performance and generalization to unseen environments.

This paper addresses the distributed stochastic minimax optimization problem subject to stochastic constraints. We propose a novel first-order Softmax-Weighted Switching Gradient method tailored for federated learning. Under full client participation, our algorithm achieves the standard $\tilde{\mathcal{O}}(ε^{-4})$ oracle complexity to satisfy a unified bound $ε$ for both the optimality gap and feasibility tolerance. We extend our theoretical analysis to the practical partial participation regime by quantifying client sampling noise through a stochastic superiority assumption. Furthermore, by relaxing standard boundedness assumptions on the objective functions, we establish a strictly tighter lower bound for the softmax hyperparameter. We provide a unified error decomposition and establish a sharp $\mathcal{O}(\log\frac{1}δ)$ high-probability convergence guarantee. Ultimately, our framework demonstrates that a single-loop primal-only switching mechanism provides a stable alternative for optimizing worst-case client performance, effectively bypassing the hyperparameter sensitivity and convergence oscillations often encountered in traditional primal-dual or penalty-based approaches. We verify the efficacy of our algorithm via experiment on the Neyman-Pearson (NP) classification, fair classification, and federated safe reinforcement learning tasks.

Modern large-scale neural networks are often trained and released in multiple sizes to accommodate diverse inference budgets. To improve efficiency, recent work has explored model upscaling: initializing larger models from trained smaller ones to accelerate convergence. However, this method can be sensitive to hyperparameters that need to be tuned at the target upscaled model size, which is prohibitively costly to do directly. It remains unclear whether tuning hyperparameters on smaller models and extrapolating via scaling laws is sound in this setting. We address this with principled approaches to width-based upscaling and efficient hyperparameter tuning in this setting. Motivated by $μ$P and any-dimensional architectures, we introduce a general upscaling method that, like Net2Net, copies and perturbs weights, but uses theoretically grounded, width-dependent scalings for the perturbation noise and optimizer hyperparameters. First, we prove that under zero perturbation, the upscaled model is functionally equivalent to the base model throughout training. Second, we extend the $μ$P theory to enable infinite-width limit analysis and establish hyperparameter transfer for upscaled models, greatly reducing the tuning cost. We empirically demonstrate that this method is effective on realistic datasets and architectures.

Tree-boosting is a widely used machine learning technique for tabular data. However, its out-of-sample accuracy is critically dependent on multiple hyperparameters. In this article, we empirically compare several popular methods for hyperparameter optimization for tree-boosting including random grid search, the tree-structured Parzen estimator (TPE), Gaussian-process-based Bayesian optimization (GP-BO), Hyperband, the sequential model-based algorithm configuration (SMAC) method, and deterministic full grid search using $59$ regression and binary classification data sets. We find that the SMAC method clearly outperforms all the other considered methods on average, and it gives stable performance across a diverse collection of tabular data sets under a fixed tuning budget, which is relevant for users who cannot afford extensive manual trial-and-error tuning. We further observe that (i) a relatively large number of trials larger than $100$ is typically required for accurate tuning, (ii) using default values for hyperparameters or a full search over a small grid often yields very inaccurate models, (iii) all considered hyperparameters can have a material effect on the accuracy of tree-boosting, i.e., there is no small set of hyperparameters that is more important than others, and (iv) choosing the number of boosting iterations using early stopping yields more accurate results compared to including it in the search space for regression tasks.

Clustering algorithms often assume all features contribute equally to the data structure, an assumption that usually fails in high-dimensional or noisy settings. Feature weighting methods can address this, but most require additional parameter tuning. We propose SHARK (Shapley Reweighted $k$-means), a feature-weighted clustering algorithm motivated by the use of Shapley values from cooperative game theory to quantify feature relevance, which requires no additional parameters beyond those in $k$-means. We prove that the $k$-means objective can be decomposed into a sum of per-feature Shapley values, providing an axiomatic foundation for unsupervised feature relevance and reducing Shapley computation from exponential to polynomial time. SHARK iteratively re-weights features by the inverse of their Shapley contribution, emphasising informative dimensions and down-weighting irrelevant ones, and is equivalent to replacing the arithmetic mean of feature dispersions with their harmonic mean. Experiments on synthetic and real-world data sets show that SHARK consistently matches or outperforms existing methods, achieving superior robustness and accuracy, particularly in scenarios where noise may be present. Software: https://github.com/rickfawley/SHARK.

When training autoregressive models to forecast dynamical systems, a critical question arises: how far into the future should the model be trained to predict for optimal performance? In this work, we address this question by analyzing the relationship between the geometry of the loss landscape and the training time horizon. Using dynamical systems theory, we prove that loss minima for long horizons generalize well to short-term forecasts, whereas minima found on short horizons result in worse long-term predictions. However, we also prove that the loss landscape becomes rougher as the training horizon grows, making long-horizon training inherently challenging. We validate our theory through numerical experiments and discuss practical implications for selecting training horizons. Our results provide a principled foundation for hyperparameter optimization in autoregressive forecasting models.

Offline RL (ORL) promises safe and sample-efficient deployment but existing methods rely on undocumented online interactions for hyperparameter tuning and lack reliable fully offline estimates of initial online performance. We introduce SOReL, a fully offline Bayesian model-based RL method that learns a posterior over dynamics, estimates policy value via predictive uncertainty, and enables complete offline hyperparameter selection. We further propose TOReL, which extends this tuning framework to arbitrary model-free and model-based ORL algorithms. We provide a regret analysis showing that Bayesian offline RL achieves the minimax-optimal parametric rate under standard regularity conditions. Together, our methods establish a practical and theoretically grounded framework for fully offline RL.

Large language models (LLMs) reproduce homogeneity bias -- the tendency to portray marginalized groups as more internally similar than dominant groups -- but whether this bias is stable or an artifact of inference settings has only been studied in single proprietary models. We map homogeneity bias across a 5x5 temperature-by-top-p grid in seven open-weight instruction-tuned LLMs (7-20B parameters). Hispanic and Asian Americans are portrayed as more homogeneous than White Americans in at least 18 of 20 hyperparameter configurations across six of seven models, including at extreme sampling settings. African American and gender bias show model-specific variation in direction. A conservative cell-level re-analysis confirms Hispanic and Asian homogeneity as robust, while weaker African American and gender signals largely do not survive, establishing group-specific robustness. We also apply the same grid to a names-based paradigm in which group identity is signaled via racially distinctive surnames rather than explicit labels. The names paradigm corroborates Hispanic and Asian homogeneity bias, but Black-coded surnames elicit robustly less homogeneous outputs than White-coded names in every model tested -- a reversal absent from the label paradigm -- showing that how group identity is operationalized shapes which biases surface and in which direction.

We study hyperparameter optimization (HPO) from a numerical-optimization perspective and propose a multi-objective damped Newton--Gauss--Newton search method. Rather than perturbing each hyperparameter separately or treating model evaluations as independent trials, the method uses performance changes between successive full hyperparameter vectors to construct an iterative secant approximation of the local sensitivity matrix. Each iteration therefore requires only one new full-vector model evaluation while jointly updating all optimized hyperparameters. A Tikhonov-regularized Gauss--Newton system stabilizes the update when the number of hyperparameters exceeds the number of performance objectives. The search is initialized from readily available empirical/default settings of the underlying learner, without requiring a separate initialization search. We evaluate four-dimensional XGBoost HPO on three public classification datasets against exhaustive grid search, random search, and tree-structured Parzen estimator (TPE) optimization. On Breast Cancer Wisconsin, the proposed method matches the best validation accuracy of a 320-configuration grid search with slightly better log loss and ROC--AUC. Across three datasets and three seeds, predictive performance remains competitive with random search and TPE while using substantially fewer search iterations. A supplementary proprietary eight-dimensional threshold-optimization case study further demonstrates joint multi-parameter optimization under competing performance targets and reveals non-monotonic, oscillatory trajectories that motivate damping and best-iterate selection. Overall, the results establish iterative secant sensitivity as an evaluation-efficient local alternative to exhaustive HPO.

Given a high-dimensional covariate matrix and a response vector, ridge-regularized sparse linear regression selects a subset of features that explains the relationship between covariates and the response in an interpretable manner. To choose hyperparameters that control the sparsity level and amount of regularization, practitioners commonly use k-fold cross-validation. However, cross-validation substantially increases the computational cost of sparse regression as it requires solving many mixed-integer optimization problems (MIOs) for each hyperparameter combination. To address this computational burden, we derive computationally tractable relaxations of the k-fold cross-validation loss, facilitating hyperparameter selection while solving $50$--$80\%$ fewer MIOs in practice. Our computational results demonstrate, across eleven real-world UCI datasets, that exact MIO-based cross-validation can be competitive with mature software packages such as glmnet and L0Learn.

Efficiently merging several models fine-tuned for different tasks, but stemming from the same pretrained base model, is of great practical interest. Despite extensive prior work, most evaluations of model merging in computer vision are restricted to image classification using CLIP, where different classification datasets define different tasks. In this work, our goal is to make model merging more practical and show its relevance on challenging scenarios beyond this specific setting. In most vision scenarios, different tasks rely on trainable and usually heterogeneous decoders. Differently from previous studies with frozen decoders, where merged models can be evaluated right away, the non-trivial cost of decoder training renders hyperparameter selection based on downstream performance impractical. To address this, we introduce the task alignment proxy, and show how it can be used to speed up hyperparameter selection by orders of magnitude while retaining performance. Equipped with the task alignment proxy, we extend the applicability of model merging to multi-task vision models beyond CLIP-based classification. Project page: https://europe.naverlabs.com/task-alignment

Neuroevolution of Augmenting Topologies (NEAT) and its advanced version, Evolvable-Substrate HyperNEAT (ES-HyperNEAT), have shown great potential in developing neural networks. However, their effectiveness heavily depends on the selection of hyperparameters. This study investigates the optimization of ES-HyperNEAT hyperparameters using the Tree-structured Parzen Estimator (TPE) on the MNIST classification task, exploring a search space of over 3 billion potential combinations. TPE effectively navigates this vast space, significantly outperforming random search in terms of mean, median, and best accuracy. During the validation process, the best hyperparameter configuration found by TPE achieves an accuracy of 29.00% on MNIST, surpassing previous studies while using a smaller population size and fewer generations. The transferability of the optimized hyperparameters is explored in logic operations and Fashion-MNIST tasks, revealing successful transfer to the more complex Fashion-MNIST problem but limited to simpler logic operations. This study emphasizes a method to unlock the full potential of neuroevolutionary algorithms and provides insights into the hyperparameters' transferability across tasks of varying complexity.

We study learning to learn through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a regression task with convex objective. For classification tasks, the LGD algorithm estimates the posterior probabilities of each class on the test set. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss on regression tasks, and for which LGD closely approximates the posterior probabilities for well-specified classification tasks. Subsequently, we study generalization guarantees on meta learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters $d$ and hyperparameter dimension $h$, we show a pseudo-dimension bound of $O(dh)$, up to logarithmic terms under mild assumptions on LGD. This matches the dependence of the bounds on number of parameters obtained in prior work for linear regression using the elastic net, which only allows for $h=2$ hyperparameters, and extends their bounds to regression on convex loss. Compared to bounds on regularized logistic regression that allow for only $h=1$ hyperparameter, our bounds improve greatly on the dependence on samples per task at the cost of worse dependence on the number of parameters by accounting for hardware-aware procedures. Finally, we show empirical evidence of the success of LGD and the meta learning procedure for few-shot learning on linear and logistic regression using synthetically created datasets.

Hyperparameter tuning remains a significant challenge in the training of deep neural networks (DNNs), requiring manual search or time-intensive grid searches that increase resource costs and limit the accessibility of machine learning. The global initial learning rate is among the most consequential of these hyperparameters. Adaptive and scheduling-based methods manage the learning rate during training but still require manual selection of an initial global value; learning-rate-free alternatives remove this selection at the cost of performance or stability on non-convex problems. We present ExpTest, an autonomous learning-rate controller that treats the training loss curve as an online signal and performs sequential statistical tests on theoretically motivated windows to detect convergent behavior and trigger learning-rate reductions. The framework combines a covariance-based initial learning-rate estimate, curvature-motivated window sizing, and two-phase test-driven decay, drawing on the approximately exponential decay behavior predicted under linearized network dynamics. We provide a mathematical motivation for ExpTest and evaluate it on regression, classification, forecasting, and natural-language tasks across fully-connected, convolutional, transformer-based, and pretrained architectures. Across these tasks, ExpTest achieves competitive performance relative to hand-tuned SGD-based baselines and recent learning-rate-free methods, without manual initial learning-rate selection or predefined scheduling.