Step-size selection remains a central challenge in large-scale neural network optimization; conservative steps slow convergence, while aggressive steps can destabilize it. We combine \textbf{Z}ero-and-\textbf{F}irst-\textbf{O}rder optimization~(ZFO) and propose a lightweight framework that decouples direction selection from step-size. ZFO uses a trusted first-order optimizer to determine the direction and performs zeroth-order evaluations only along this one-dimensional subspace to choose how far to move. Using the current {gradient information} and two additional objective function evaluations, ZFO instances construct a local model of the objective function along the proposed direction and select a curvature-aware step within a bounded search interval. This yields an adaptive step-selection mechanism that costs less than a full line search. We provide theoretical guarantees to show that shared-sample evaluations produce reliable finite-difference curvature estimates, that the induced local model selects a near-optimal step along the search interval, and that ZFO converges to a neighborhood of a stationary point. Across the evaluated settings, language models and datasets, ZFO frequently improves optimization and final performance relative to fixed-step first-order baselines, with the magnitude and preferred local model depending on the objective. Our code is publicly available at: https://github.com/nizswan/Zeroth-First-Order-Framework.

Given a set of $n$ points $X$ in a metric space and an integer $k$, max-min diversification aims to select $k$ points of $X$ maximizing their minimum pairwise distance. This objective function is however highly vulnerable to noisy points. In[Amagata, AAAI23], a robust formulation is proposed which addresses this vulnerability by excluding solutions containing any of $z$ outliers, defined as the $z$ points in $X$ with the largest nearest-neighbor distances. That paper also presents a coreset-based streaming algorithm for the new formulation, based on a suitable inlier-outlier separation assumption. However, we identify three shortcomings in the algorithm by [Amagata, AAAI23]: its coreset construction requires an offline computation over $X$, which needs memory linear in $n$, in stark contrast with the typical goals of stream processing; the one-pass procedure used to extract the solution from the coreset may return fewer than $k$ points (hence, an unfeasible solution) because it permanently discards points too far from the current solution; and its outlier-exclusion guarantee is only probabilistic and weakens as the coreset size shrinks. In contrast, we present a deterministic coreset-based algorithm that, under a natural inlier-outlier separation assumption (similar to the one used in [Amagata, AAAI23]), returns exactly $k$ inliers which are a $(2+\varepsilon)$-approximate solution, for any $\varepsilon>0$, thus only $\varepsilon$ above the best polynomial-time sequential approximation, even without outliers. Its one-pass streaming implementation adapts obliviously to the dataset's doubling dimension $D$ and, for wide ranges of $k$, $z$, $\varepsilon$, and $D$, it uses memory independent of $n$. For sufficiently long streams, its amortized update time is proportional to the coreset size, thus also independent of $n$.

Inference-time scaling adapts pretrained diffusion models to new sampling tasks without additional training. Existing methods rely primarily on Monte Carlo sampling with more particles, yet are premised on the pretrained model being exact. In practice, data and training limitations make the model imperfect, and these methods inherit its error. More particles reduce Monte Carlo error but cannot remove the mismatch between the endpoint and the desired target or the error in tracking the prescribed probability path. We introduce the Energy-based Feynman-Kac Corrector (EBFKC), a framework for energy-based diffusion models that corrects these errors on the fly given a reference energy. We first derive Feynman-Kac dynamics that track a prescribed path exactly in the continuous-time population limit even when the model is imperfect, and approximate these dynamics using sequential Monte Carlo with variance-controlling guidance. To remove the endpoint mismatch, we use the pretrained energy as a surrogate along the diffusion path and progressively incorporate the discrepancy between the learned and target terminal energies. Experiments on Gaussian mixture models, particle systems, alanine dipeptide, and alanine tetrapeptide show that our method closely matches target distributions and molecular free-energy profiles under annealing and reward tilting, whereas standard inference-time scaling baselines retain substantial sampling errors.

Multi-agent reinforcement learning (MARL) provides a powerful framework for learning coordinated behaviors through interactions with the environment. Developing MARL policies requires balancing expressive modeling of complex and multimodal action distributions with efficient training and execution. Generative policies, particularly diffusionbased policies, can faithfully capture complex and multimodal behaviors, but costly iterative sampling hinders their scalability in online multi-agent settings. We propose an Online MARL framework via one-step Flow model (OMAF) that combines expressive generative policies with efficient one-step action generation. OMAF employs a Transformer-based flow policy to capture complex coordination behaviors, while its approximate path score surrogate provides a principled route to synchronized flow policy optimization. To enable stable and sampleefficient learning, we further develop a joint optimization scheme coupling softmax Q-value estimation with a joint flow policy objective for coordinated policy learning. By eliminating iterative sampling, OMAF dramatically reduces training overhead without sacrificing policy expressiveness. Extensive experiments across 10 standard tasks from MPE and MAMuJoCo show that OMAF consistently achieves superior performance, with up to 3.4x higher returns and 10.5x sample efficiency improvement compared with baseline methods. These results validate the effectiveness of OMAF as an expressive and computationally efficient one-step flow policy paradigm for online MARL.

Quasi-Newton (QN) methods have long been among the most effective methods for large-scale unconstrained convex optimization. Two obstacles have limited their use in deep learning: non-convexity and enormous parameter sizes. We introduce SoftServe, a family of QN methods designed to overcome these obstacles without line searches or ad hoc curvature corrections. SoftServe derives positivedefinite curvature estimates from the variational objective of Berglund et al. (2025), even in the presence of negative curvature. We develop diagonal and Kroneckerfactored variants that preserve positive definiteness by construction and scale to massive neural networks. Finally, SoftServe relies on the stable coupled Newton-Schulz iteration for the required matrix operations, replacing costly matrix decompositions with GPU-friendly matrix multiplications. SoftServe excels on problems that are severely ill-conditioned, including tasks such as recurrent networks, deep autoencoders, physics-informed neural networks, and a 136M-parameter physics-informed diffusion model, often achieving lower losses than established baselines including Adam, Muon, and SOAP.

UMAP achieves scalable layout optimization through stochastic negative sampling. However, this stochasticity can lead to unstable embeddings across reruns and downstream reuse, as the estimated repulsive forces depend on the ordering of sampling events. We present ibUMAP, a coherent field-based alternative that evaluates attraction and repulsion from a shared embedding snapshot and applies them synchronously. Its degree-weighted repulsive field is motivated by the conditional expectation of negative sampling for a fixed embedding and represented by three scalar moments, which are evaluated efficiently on CPUs and GPUs using an interpolation-based FFT scheme. This formulation avoids explicit all-pairs computations while inducing optimization dynamics that differ from those of standard online UMAP. Controlled experiments show that synchrony and kernel capping alter the local-global fidelity trade-off, whereas FFT evaluation produces small average changes in final quality. End-to-end benchmarks show median speedups of 3.29x unseeded and 5.79x seeded over umap-learn on CPU, and 1.44x over cuML on million-scale datasets under unseeded GPU execution. These gains accompany greater run-to-run stability and measurable fidelity trade-offs.

Byte-level byte-pair encoding (BBPE) tokenizers are attractive for multilingual large language models (LLMs) because they cover all Unicode text. In UTF-8-based BBPE, however, many scripts start from a higher fallback cost than English: when no learned merges can be applied, a multibyte character requires multiple byte-derived symbols. We call this worst-case pre-merge cost the encoding floor. A higher floor can increase token counts and per-request cost and shrink usable context. Changing the text encoding can reduce this gap, but a single global encoding can make already-efficient English spans more expensive in mixed-script text. We propose Universal Byte-Level Encoding (UBE), a dual-alphabet tokenizer that keeps 1-2-byte UTF-8 characters on the UTF-8 path while routing 3-4-byte UTF-8 characters through UTF-16. This lowers the encoding floor for 3-byte Basic Multilingual Plane (BMP) characters in scripts with high token premiums (token counts relative to English) without raising it for already-efficient spans in mixed-script text. UBE changes only the byte representation presented to byte-pair encoding (BPE); the merge rule remains standard, and exact decoding is preserved. UBE also composes with alternative boundary policies and morphology-based representations. In a Unicode 17 audit, UBE exactly round-trips all Unicode scalar values and all inputs in the official normalization, grapheme-break, and emoji test suites. Across intrinsic evaluations, UBE lowers dispersion in English-normalized token-count ratios, reducing cross-lingual token-budget disparity. In multilingual language model (LM) experiments, UBE matches BBPE's LM quality. In the main multilingual settings, UBE reduces token counts most for high-premium scripts and slightly lowers English token counts, yielding more usable context under fixed token budgets and faster prompt processing in content-matched benchmarks.

We consider estimating the conditional distribution of a multivariate outcome given covariates when its coordinates may be continuous, binary, categorical, ordinal or rankings, and are conditionally dependent on one another. Different statistical methods have been developed for each outcome type, and most of them target a summary of the conditional distribution, such as the mean of each coordinate, rather than the joint distribution of the outcome vector. We develop generalized engression models, a unified nonparametric distributional regression framework for outcomes of any type. The proposed method builds upon engression, a scoring-rule-based deep generative model, and introduces a data-type-specific link function and a stochastic perturbation that smooths the loss, enabling gradient-based training even with discontinuous links. We establish universal representation results for continuous, discrete and mixed outcomes. In simulations and in two applications, 242 species in a community ecology benchmark and a 17-dimensional mixed-type health outcome, the method matches type-specific models on marginal scores, improves on them on the joint distribution, and matches or exceeds purpose-built state-of-the-art joint species distribution models. Software is available in Python.

Neural activity often exhibits multiple timescales that can vary with behavioral states and task conditions. Identifying these timescales from neural recordings is important for better understanding neural computation and function. However, traditional approaches based on autocorrelation fitting are difficult to scale to high-dimensional population recordings and can become unreliable when neural dynamics change with behavior. State-space models have been a powerful framework for modeling high-dimensional neural population activity through latent dynamical systems, but standard formulations and inference methods do not explicitly account for multiple timescales and therefore do not guarantee accurate recovery of the underlying temporal structure. Motivated by these questions, we introduce the Multi-Timescale Switching Linear Dynamical System (MTS-SLDS), a framework for identifying regime-specific latent timescales from continuous or spiking neural observations. MTS-SLDS combines a multi-lag moment initialization, which captures temporal structure across multiple observation lags, with \textit{regime-conditioned} Laplace-EM inference, which reduces mixing of dynamical statistics across uncertain regimes. Characteristic timescales can then be extracted directly from the eigenvalues of the learned latent transition matrices. In synthetic and neural experiments with Gaussian and Poisson spike observations, MTS-SLDS accurately recovers timescales and switching structure over multiple datasets.

Building datasets remains one of the most manual and brittle parts of AI development. In this technical report, we focus on the most extreme but also most prevalent setting real world practitioners face: a zero data regime. Here, practitioners don't have any data for the capability they want to learn. We introduce Invent-A-Dataset which is a prompt based system to go from dataset description to realistic and large scale post-training datasets. We evaluate Invent-A-Dataset against five frontier model APIs including Anthropic, Google, Open AI, DeepSeek, Zai. Across eight task types and dataset sizes up to 20K samples, Invent-A-Dataset significantly outperforms with both the highest quality (17% relative gains) while simultaneously producing the most diverse samples (19% relative gains). Its diversity advantage widens with scale of training dataset size (from parity at 200 samples to 37% relative gains at 20K samples). This translates into considerable downstream training gains, resulting in far more performant post-trained models. Invent-A-Dataset fine-tune consistently ranks higher compared to other generator fine-tunes across different post-trained model architectures.

Federated Learning (FL) enables privacy-preserving fine-tuning of Large Language Models (LLMs), yet the massive communication overhead remains a critical bottleneck. Furthermore, applying Low-Rank Adaptation (LoRA) in FL faces a fundamental "aggregation dilemma" between the accurate Sum-of-Products (SoP) and the communication-efficient Product-of-Sums (PoS) implementations. To tackle these challenges, we propose FedFit. First, to significantly reduce communication overhead, we introduce a disjoint shared vector-bank parameterization that reconstructs high-dimensional adapter matrices from two compact and disjoint global vector banks. Second, to address the aggregation dilemma, we devise an alternating optimization schedule. By cycling between decoupled single-bank updates (which allow for accurate aggregation) and joint updates corrected by a Residual Spectral Aggregation mechanism, we resolve the conflict between SoP and PoS. Additionally, we integrate blockwise quantization with client-side error feedback to further compress the transmitted vectors. Furthermore, we establish theoretical convergence guarantees for the proposed algorithm. Extensive experiments on Qwen2.5 models demonstrate that FedFit achieves perplexity performance comparable to standard federated LoRA methods, while providing compression ratios up to 100x higher.

Modern machine-learning models often contain strongly dependent or redundant features, making feature attribution difficult because shared predictive information can be distributed across correlated predictors. Existing methods such as SHAP, LIME, HSIC, MI/CMI, and SAGE may therefore produce unstable rankings under multicollinearity or near-duplicate predictors. We propose the Mutual Correlation Impact Ratio Method (MCIR-M), a dependence-aware global feature-importance approach that quantifies the unique predictive information contributed by each feature beyond a selected dependence neighbourhood. MCIR-M introduces the Mutual Correlation Impact Ratio (MCIR), which conditions each feature on strongly dependent neighbours and computes a normalized ratio of conditional to block-level information. The population score lies in [0,1] and equals zero under exact conditional redundancy. We also introduce a lightweight estimation procedure that computes MCIR using a fraction of the available data and evaluates agreement with full-data explanations. Across controlled synthetic redundancy experiments and the UCI HAR benchmark, MCIR shows dependence-aware ranking behaviour, with its clearest advantage under injected near-duplicate predictors. Comparisons with independent and conditional SHAP, SAGE, HSIC, MI-based scores, and CIR-family baselines are mixed across real-data criteria. Reduced explanation samples lower computational burden in the evaluated configurations, while agreement with full-data explanations is assessed separately through ranking, head-set, and faithfulness diagnostics. Overall, MCIR-M provides a practical dependence-aware diagnostic for global explanation under strong feature dependence.

When developers change one component of an agent, such as its controller, a learned model or its verifier, they usually judge the change by an aggregate task score. That score cannot tell whether improvement was attainable, which component lost value, or what the agent's own checks certify. We introduce a claim-specific verification audit for modular agents that plan, act, check and refine. Instead of scoring the agent, the audit scores the evidence: each conclusion is recorded with the evidence behind it, one of four verdicts (supported, unsupported, unresolved or not evaluated) and the boundary within which it holds. Three tools supply that evidence. Oracle policies measure attainable improvement under an explicitly stated action set, so that a low value can be traced to the evaluation rather than to the environment. Replacing one component at a time with a perfect counterpart locates lost value, with null results read as unresolved whenever a downstream component could mask them. A separate test asks whether the verifier's score identifies the quantity it is read as bounding. Applied to a constrained portfolio-allocation agent in a synthetic market with known hidden regimes, the audit shows that the value of perfect regime information depends on the action set used to measure it, that the scenario generator discards most of the regime signal while better local fidelity does not improve decisions, and that the runtime verifier can be bypassed with no visible change in outcomes. The contribution is the protocol and the evidential distinctions it enforces; the empirical findings are specific to the agent and environment studied.

Photoacoustic tomography (PAT) is a hybrid imaging modality that combines high optical contrast with high ultrasonic resolution for biomedical imaging applications. In this work, we investigate the inverse problem of recovering the initial pressure distribution from boundary measurements in the presence of nonlinear acoustic propagation and viscous attenuation effects. To model these phenomena more accurately, we consider a nonlinear damped viscoelastic wave equation incorporating spatially varying sound speed, temporal attenuation, and nonlinear propagation mechanisms. We first establish the well-posedness of the corresponding forward problem using a Galerkin approximation combined with energy estimates and a fixed-point argument. For the inverse problem, we derive existence, uniqueness, and local uniqueness results under suitable assumptions through a harmonic extension reduction, spectral Laplace transform techniques, and observability estimates. To numerically reconstruct the initial pressure field, we develop a hybrid reconstruction framework that combines a convolutional neural network (CNN) with a gradient-free optimization strategy based on the sequential quadratic Hamiltonian (SQH) method derived from Pontryagin's maximum principle. The CNN is used to generate an informative initial guess, while the SQH framework enforces the governing PDE dynamics during the reconstruction process. Numerical experiments demonstrate that the proposed hybrid strategy significantly improves reconstruction quality, contrast, and robustness compared to standalone time-reversal and CNN-based approaches.

Reliable roll prediction of unmanned surface vehicles (USVs) is essential for ensuring navi?gational safety and enhancing autonomous decision-making. While existing studies primarily focus on improving prediction accuracy, the quantification of prediction reliability remains insufficiently addressed. To bridge this gap, this paper proposes a reliability-aware prediction paradigm that integrates confidence assessment into the predictive pipeline. The architecture utilizes a multi-task learning structure where a shared feature extraction backbone feeds into dual heads: a regression head for precise roll prediction and a quantification head for confidence scoring. This configuration provides accurate prediction and corresponding confidence for risk?sensitive downstream tasks. In addition, an adaptive centralization strategy tailored for short?term real-time roll prediction is introduced to improve model generalization under varying operational conditions. Experiments conducted on a real-sea dataset demonstrate that the proposed method effectively quantifies the reliability of prediction results and maintains superior generalization under varying conditions, offering significant potential for practical engineering applications.

We study episodic adversarial linear constrained Markov decision processes (CMDPs) with unknown transitions, where both the loss and constraint functions may vary adversarially across episodes. The best previous algorithm achieves $\widetilde{\mathcal{O}}(K^{3/4})$ regret and cumulative constraint violation, leaving a gap to the optimal $\widetilde{\mathcal{O}}(\sqrt{K})$ dependence on the number of episodes $K$. We close this gap by proposing a new primal dual algorithm that achieves $\widetilde{\mathcal{O}}(\sqrt{K})$ regret and cumulative constraint violation without assuming Slater's condition. The main challenge is that learning linear CMDPs requires uniform concentration over a value function class with a controlled covering number, whereas standard techniques in constrained online learning, such as policy mixing, can make this class more complex. Our algorithm combines adaptive Follow the Regularized Leader (FTRL), contracted value estimation, and an exponential Lyapunov function. An adaptive dual regularizer offsets the dependence on the dual weights in the primal regret bound, removing the need for policy mixing. We further show that the normalization in the FTRL update bounds the policy parameters independently of the magnitudes of the dual weights, which explains why the resulting policy class remains compatible with uniform concentration. Under feature access, the computational complexity is independent of the size of the state space.

Background and Objective: Clinicians expect recurrence risk to climb with cancer severity. In a UK multicentre trial, an unconstrained XGBoost model learnt that higher tumour stage and carcinoma in situ predicted lower recurrence risk, and discrimination, calibration, and SHAP were all blind to it. We developed a counterfactual testing framework to detect this inversion and a monotonic-constraint framework to remove it without hurting performance. Methods: BOXIT enrolled 472 patients with protocol-mandated cystoscopy across 51 UK sites (2007-2012); 435 had at least two years' follow-up (153 recurrences, 35.2%). We developed a counterfactual direction test and a monotonic-constraint correction, with constraint directions drawn from the EORTC and EAU risk systems, and evaluated both against unconstrained XGBoost and logistic regression on 18 predictors (seven directed) over 50 cross-validation folds. The test worsened each patient on one directed feature at a time to check whether risk fell; SHAP direction and calibration were also assessed. Key Findings and Limitations: Tumour stage and carcinoma in situ were associated with lower recurrence, opposite to medical intuition; the unconstrained model reversed carcinoma in situ counterfactuals in 90.2% of cases and stage in 74.3%. Discrimination ($\Delta$AUC 0.005, p=0.47), calibration, and SHAP magnitude were all blind to the inversion. Monotonic constraints eliminated every violation at no cost to discrimination (0.723 vs 0.718) and outperformed EORTC (p=8.9e-16). Limitations: single trial, internal-external validation only. Conclusions and Clinical Implications: A model that had learned this inversion passed every conventional check. A counterfactual direction test, run as a single refit with pre-specified monotonic constraints, catches this failure at no cost to performance and should be routine before clinical deployment.