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Sunday 26 July

Machine Learning · Cross-listed from cs.CY

AI Strategy: How to Choose What AI Product to Implement

Firms struggle to choose AI projects that pay off: two projects can look equally promising to smart, motivated stakeholders and yet deserve opposite decisions. At the residential real-estate brokerage Compass, one AI product (Likely-to-Sell recommendations) flagged sales outreach opportunities and went on to account for nine figures in annual gross commission revenue. Another championed AI product (a Time-on-Market pricing tool) was rightly shelved. A simple ROI estimate could not distinguish the two. We present expected ROI (eROI), a framework that decomposes each bet into three components and rates them separately: Value if Successful, Likelihood of Success, and Investment Required. Each maps to a question executives can answer before building: How valuable would it be if it worked? How likely is it to work? And what would it cost to implement? Separating the three breaks a common catch-22: teams cannot estimate ROI until they know whether a project will work, yet cannot know whether it will work without building it. Judging Value if Successful on its own dissolves the loop, letting a team argue that a product would be valuable if it worked while it weighs how likely that is. The framework also asks, before ranking anything, whether there are enough good ideas on the table. After ranking, it guides assembling a portfolio of bets rather than funding only the single top-ranked project. We illustrate eROI on Compass's candidate AI products. Precise ROI estimates are hard to make given the inherent uncertainty of AI projects. Coarse business-level ratings of the three components are enough to tell strong bets from weak ones.
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Machine Learning

Outcome-Confounded Local Supervision in On-Policy Distillation

On-policy distillation (OPD) trains a student on its own trajectories while a teacher supplies dense token-level likelihoods at student-visited prefixes. These likelihoods are often read locally: agreement appears safe to imitate, whereas disagreement appears to identify an error. We show that both readings are confounded by the outcome of the completed trajectory. We introduce an outcome-resolved diagnostic that crosses pointwise teacher-student divergence with final-answer correctness, separating safe imitation, productive divergence, harmful divergence, and agreement-on-failure. In an eight-seed mathematical-reasoning study with a Qwen3-8B student and Qwen3-32B teacher, agreement-on-failure constitutes 67.84% of pooled response-token mass; with a Qwen2.5-7B/32B pair it remains 67.68%. The result persists across threshold, sequence-level, format, and truncation audits. Even on prompts that the Qwen3 teacher solves in all four independent attempts, student accuracy rises to 86.91% but agreement-on-failure remains 14.76%. We then run three matched training probes that use the available signals to imitate, mask, or contrast whole trajectories; none consistently reduces agreement-on-failure. The result points to a localization limitation: local divergence paired with a trajectory-level outcome does not identify where a failed trajectory became unrecoverable. Addressing this limitation requires additional positional information, such as process labels, teacher continuations from student prefixes, or token-level alignment across rollouts. Our contribution is therefore diagnostic rather than a new training method.
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Machine Learning · Cross-listed from cs.RO

Hierarchical Soft Actor-Critic for Sparse-Reward Long-Horizon Reinforcement Learning

Exploration in sparse-reward long-horizon tasks poses significant challenges for reinforcement learning. To address these challenges, we propose a two-level Hierarchical Reinforcement Learning (HRL) framework. The first level handles high-level strategic planning, while the low-level uses the continuous-control Soft Actor-Critic (SAC) algorithm, and they utilize entropy-regularized policy optimization. The proposed framework was trained and evaluated using the Search-and-Rescue-2 (SAR-2) dataset. HRL-SAC effectively addresses sparse-reward long-horizon search problems characterized by delayed rewards and continuous control, and its outperforming the flat SAC baseline reinforcement learning in terms of success rates, coverage efficiency, and convergence. These findings indicate that hierarchical entropy-regularized policies are a promising solution to tackle long-horizon sparse-reward reinforcement learning tasks.
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All authors Zahra Abdalla Elashaal, Afef Hfaiedh, Nahla Khraief, Issmail Ellabib, Giansalvo Cirrincione

Machine Learning · Cross-listed from stat.ML

Distributional Split Criteria for Random Forests: Extensions, Shrinkage, and the Robustness of Mean Splitting

Distributional random forests replace mean-based CART splitting with criteria that compare the full conditional response distribution in candidate children. We implement and systematically study a family of such criteria inside a single honest-forest implementation: isotropic random-Fourier-feature maximum mean discrepancy (MMD), an anisotropic diagonal-bandwidth variant, an adaptive per-split frequency-selection variant, and a non-kernel sliced-Wasserstein criterion, together with post-hoc kernel-mean shrinkage of the forest weights. Using paired-seed comparisons across synthetic quantile mechanisms, real univariate benchmarks, a California-housing subsample curve, and multivariate synthetic and real responses, we characterize where each extension pays. Three findings recur. First, among distributional criteria ordinary isotropic MMD is already close to best in class: the anisotropic, adaptive-frequency, and sliced-Wasserstein extensions, and post-hoc shrinkage, do not systematically improve on it. Second, on scalar tabular regression mean-based CART splitting remains the robust default and wins many cells. Third, multivariate responses are the regime where distributional splitting clearly earns its keep, most sharply on a pure-dependence copula where the energy score separates the criteria even though marginal CRPS does not. The evidence supports a simple allocation story: distributional splitting helps only when non-location structure is both present and estimable; otherwise it dilutes split-selection power away from the mean. All criteria, the honest forest, and the paired-comparison harness are implemented in the open-source drforest library, whose Rust-backed split search makes broad criterion sweeps inexpensive.
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Machine Learning

The Intruder Threshold: A Spectral Law for LoRA Fine-Tuning

LoRA fine-tuning can create intruder dimensions: new leading singular vectors of the updated weight matrix $W+BA$ that are nearly orthogonal to all pretrained singular vectors and that drive catastrophic forgetting. Since their discovery, no theory has predicted, layer by layer on measured spectra, when they appear. We derive a per-layer critical update strength $s^\ast=\bar\theta/(\gamma\sigma_1(BA))$, computed from the measured spectrum of $W$ alone through the rectangular spiked-deformation transform, together with an exact secular-equation characterization of the updated spectrum, with no fitted parameters. In a pre-specified study spanning four dense Transformer families, a state-space model, a mixture-of-experts model, and an encoder-decoder (18 adapters, 9{,}840 layer scans), the law localizes the empirical threshold within a factor of two on $82\%$ of layers, separates intruder-bearing from intruder-free layers at deployment with a mean AUC of $0.89$, holds unchanged on six third-party adapters, and predicts where WikiText-2 perplexity begins to degrade; a combination of the two pre-specified edge evaluations reaches $98\%$ and is confirmed out-of-bag on the external adapters ($0.997$). Full fine-tuning disperses its update far below the threshold of every layer, which resolves the asymmetry between LoRA and full fine-tuning. Norm-matched interventions confirm that threshold-crossing layers, rather than update magnitude, carry the forgetting, and a spike-budget rule derived from the thresholds, requiring one SVD and no validation sweeps, reduces forgetting by $62\%$ on the most fragile model at no task cost.
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Machine Learning · Cross-listed from cs.CR

The Illusion of Secure LLM Code: Closing the Security Gap via Iterative Reprompting

Large Language Models (LLMs) are increasingly integrated into software development workflows, yet their ability to autonomously generate secure authentication code remains uncertain. This paper evaluates the security architecture of authentication systems generated by five prominent AI coding assistants through a bi-modal assessment framework combining static code analysis and dynamic penetration testing, mapped to NIST SP 800-63B guidelines. The study examines model behavior across four prompting strategies Basic, Secure, NIST-Based, and Reprompting to reflect varying levels of developer guidance. Empirical results demonstrate that code generated from functional or generically secure prompts consistently omits critical protections, particularly concerning brute-force resistance, session management, and robust password handling. While providing explicit, single-shot NIST context significantly improves compliance, the findings reveal that this remains structurally inadequate. Instead, iterative Reprompting: forcing models into a contextual self-auditing loop is strictly required to achieve a comprehensive, defense-in-depth security architecture. Ultimately, this study proves that current AI coding assistants do not produce secure-by-default applications, dictating that enterprise deployments must transition from single-shot prompt engineering to continuous, standards-driven verification pipelines.
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All authors Ishpuneet Singh, Shreyas Mahajan, Gurjot Singh, Maninder Singh

Machine Learning · Cross-listed from cs.AI

Offline-to-Online Creative Optimization with Generative Models and Adaptive Testing

Ad creative optimization is increasingly constrained by evaluation rather than generation. Generative models can produce many plausible creatives, but reliable evaluation requires online experiments, in which only a limited slate can be tested. We study how to use data from historical A/B tests to generate and select the candidates in that slate. We developed and deployed a performance-driven offline-to-online workflow that guides creative generation with a predictive model as an inference-time critic. In the offline phase, we use a predictive model trained on historical experiments to rank and refine variants created by a generative model. A final test slate is then deployed in an online adaptive experiment. In a 50-arm field experiment, we found that the best creative generated with this method yielded 45.1% higher engagement than the best human-authored creative. Two additional experiments showed the same upper-tail pattern, with lifts of 46.7% and 36.2%. We found that despite the predictive model being too noisy to directly identify the best creative offline, it effectively guides the generative model toward creating strong candidates that can be efficiently evaluated in an adaptive experiment. The results suggest a design principle for creative optimization with generative models: use predictive models to guide generation of a slate to test, judge the slate by whether it contains high-performing candidates at a feasible test size, and use adaptive experiments to select among candidates while limiting traffic lost to weak arms.
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All authors Kevin Lee, Benjamin Letham, Zhiyuan Jerry Lin, Elodie Samson, Eric Onofrey, Poppy Zhang, Shawndra Hill, Eytan Bakshy

Machine Learning

Extreme Volatility Warning under Label Scarcity via Multi-Source Anomaly Fusion

Early warning of extreme market volatility is central to financial risk management, but actionable events are rare, nonstationary, and often triggered by exogenous information shocks. In our CSI~300 setting, only $\sim$80 positive samples are observed across 791 training days, making heavily supervised multi-source models unstable. We first analyze a 100K-parameter hierarchical text-signal fusion model (HTSF) and find that added parameterization hurts in this low-label regime. Motivated by this failure, we propose AAMSF (Anomaly-Augmented Multi-Signal Fusion), a semisupervised framework that combines Isolation Forest anomaly scores over market indicators, GDELT events, Chinese financial news, and English media with lightweight Ridge score fusion. We further introduce T-AAMSF, a temporal extension for multi-day anomaly accumulation. On CSI~300 (2018–2023), AAMSF achieves test AUC-ROC 0.680, outperforming the strongest unsupervised baseline (0.630) and neural baseline (0.588), while T-AAMSF improves PR-AUC to 0.291. Ablations reveal strong source asymmetry: GDELT and domestic financial news provide complementary risk signals, whereas English media consistently reduces performance, and learned weighting is unreliable under validation noise. These results suggest an empirical design principle for label-scarce financial risk warning: robust anomaly geometry and source reliability can matter more than supervised representation capacity.
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All authors Jin Qian, Zhangzhi Xiong, Mingrui Li, Zhen Liu

Machine Learning

Breaking the Total Variance Barrier: Sharp Sample Complexity for Linear Heteroscedastic Bandits with Fixed Action Set

Recent years have witnessed increasing interests in tackling heteroscedastic noise in bandits and reinforcement learning. In these works, the cumulative variance of the noise $\Lambda = \sum_{t=1}^T \sigma_t^2$, where $\sigma_t^2$ is the variance of the noise at round $t$, is used to characterize the statistical complexity of the problem, yielding simple regret bounds of order $\tilde{\cal{O}}(d \sqrt{\Lambda / T^2})$ for $d$-dimensional linear bandits with heteroscedastic noise. However, with a closer look, $\Lambda$ remains the same order even if the noise is close to zero at half of the rounds, which indicates that the $\Lambda$-dependence is not optimal. In this paper, we revisit the stochastic linear bandit problem with heteroscedastic noise, where the action set is prefixed throughout the learning process. We propose a novel variance-adaptive algorithm VAEE (Variance-Aware Exploration with Elimination) for large action set, which actively explores actions that maximizes the information gain among a candidate set of actions that are not eliminated. With the active-exploration strategy, we show that VAEE achieves a simple regret with a nearly harmonic-mean dependent rate. For finitely many actions, we propose a variance-aware variant of G-optimal design based exploration, which achieves a simple regret with sharper dependence on $d$. We also establish a nearly matching lower bound for the fixed action set setting indicating that harmonic-mean dependent rate is unavoidable. To the best of our knowledge, this is the first work that breaks the $\sqrt{\Lambda}$ barrier for stochastic linear bandits with heteroscedastic noise.
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All authors Heyang Zhao, Tianyuan Jin, Weixin Wang, Vincent Y. F. Tan, Pan Xu, Quanquan Gu

Machine Learning · Cross-listed from math.NA

No Free Lunch in Flow Surrogates under Time-Varying Boundary Conditions: A Two-Regime Study

We test whether an architecture that succeeds on a simple flow regime also succeeds on a richer one, with each trained separately on each regime. We explore two transient flows under time-varying boundary conditions: the three-dimensional slurry film in chemical-mechanical planarisation (CMP), central to semiconductor manufacturing, and the two-dimensional Kármán vortex street (KVS). Eight surrogate models on one shared pipeline differ in whether they learn the full field or a latent representation, and in whether they predict in one shot or step by step. No single architecture wins both regimes. On the film, a one-shot full-field model reconstructs the cumulative wall shear stress to 2.7% relative error. On the wake, a latent autoregressive DeepONet retains 90% of the shedding power that direct and one-shot models damp to almost zero. The treatment of time decides the outcome. The self-sustained wake calls for autoregressive feedback and the boundary-driven film for a direct map. Pointwise RMSE hides the damped oscillation on the wake, compresses the sixfold lead on the film's process target, and picks the damped model under wake extrapolation. The evaluation scores five physical questions. Trained surrogates answer queries 10^3 to 10^4 times faster than the finite-element solver and pay off from the first query beyond the training set on the film and from the third on the wake. Neither the winning architecture nor its validation holds across regimes. The choice of surrogate should follow the dynamical character of the target flow, and its validation should resolve the failure modes.
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Machine Learning

DP-IVON-Gradsq: Differentially Private Squared-Gradient Improved Variational Online Newton

Differential privacy provides formal privacy guarantees for training neural networks on sensitive data, while Bayesian deep learning offers a principled framework for uncertainty-aware prediction. Combining these two objectives remains challenging, as privacy noise can interact with the stochasticity introduced by Bayesian posterior sampling. In this work, we investigate differentially private variational Bayesian learning through the Improved Variational Online Newton (IVON) optimizer. We introduce DP-IVON-Gradsq, a private variant of IVON. The proposed method constructs its curvature estimate from the privatized gradient using a noise-corrected squared-gradient estimator, reducing the direct interaction between posterior-sampling noise and privacy noise while preserving the Adam-like computational efficiency of IVON. We evaluate DP-IVON-Gradsq on CIFAR-10 against the standard private optimizers DP-SGD and DP-Adam over a range of privacy budgets. The results show that DP-IVON-Gradsq is competitive under weak-to-moderate privacy constraints, i.e., large-to-moderate values of $\varepsilon$, while degrading under strong privacy. Code is available at https://github.com/NourJamoussi/DP-IVON-Gradsq.git.
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All authors Nour Jamoussi, Ikram Dridi, Giuseppe Serra, Marios Kountouris

Machine Learning

CALMRec: Causally Aligned Language Memory for Long-Horizon Recommendation

Large language models (LLMs) can summarize heterogeneous user evidence in natural language, but current LLM recommenders often collapse enduring preferences, transient intent, and exposure-induced behavior into one profile. This makes recommendation vulnerable to feedback loops: repeated exposure is mistaken for preference, immediate clicks dominate delayed satisfaction, and fluent explanations need not reflect the ranking decision. We propose our method, a model-agnostic framework for long-horizon recommendation. Our method uses a frozen multimodal language model to convert item content and feedback into evidence-grounded semantic atoms, then maintains separate short-term, long-term, and exposure memories. Propensity-weighted updates reduce policy-induced exposure bias, while a conservative offline critic reranks candidates for delayed satisfaction under a behavior-support constraint. Explanations use only influential evidence atoms and are checked by counterfactual deletion. We provide an identification result and evaluate the framework in e-commerce-like, news-like, and short-video-like environments. Across ten seeds, our method improves discounted long-term value over the strongest alternative by 6.1%, 7.6%, and 6.7%, respectively. Twenty-seed paired ablations show significant value drops after removing propensity correction (0.739 +/- 0.191) or conservative support regularization (0.523 +/- 0.234). A frozen instruction language model also more than doubles semantic-atom NDCG over TF-IDF on a held-out paraphrase benchmark.
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Machine Learning · Cross-listed from math.OC

When Rates Are Geometric: Rate-Certificate Transfer for Contact Splittings in Optimization

Discrete optimization algorithms are often analyzed through continuous-time limiting ODEs, but a convergence certificate for the ODE is not automatically one for the discrete algorithm. We develop contact Hamiltonian systems as a setting where the transfer can be made precise. A contact Hamiltonian $H$ on $J^1(\mathbb{R}^n)$ obeys the intrinsic decay identity $\dot H = -H\,\partial_s H$, so an augmented energy $\mathcal{E}$ built from $H$, together with the conformal rate $\partial_s H$, is a continuous-time rate certificate whenever $\mathcal{E}$ controls the objective gap. Our main theorem states, under three named and independently checkable hypotheses, that an order-$r$ contact splitting with step $h$ transfers this certificate over the finite horizon set by backward error analysis. The discrete decay envelope is governed by the modified conformal factor up to $O(h^r)$ perturbations plus a backward-error shadowing defect, and the mechanism is inherited exactly because the modified Hamiltonian is itself a contact Hamiltonian. Quadratic heavy ball is a fully solvable example: its projected dissipative-leapfrog spectrum agrees with established conformal-symplectic optimization theory, while the augmented contact Hamiltonian yields a sharp objective-to-certificate comparison that verifies the transfer hypotheses. For strongly convex objectives with state-dependent damping, an explicit Bregman-type Lyapunov certificate instead transfers by an auxiliary-shadowing corollary. The decomposition $H=K+V+D$ into kinetic, objective-encoding potential, and dissipation terms serves as a design template, with a catalogue of closed-form sub-flows including contact-specific damping families. Numerical experiments confirm the predicted conformal-factor tracking orders and show competitive performance on ill-conditioned benchmarks and deep-learning tasks.
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Machine Learning · Cross-listed from stat.ME

Distributed Convolutional Rank Regression over Decentralized Networks

This paper studies convolution rank regression (CRR) over decentralized distributed learning networks. We propose a novel decentralized CRR framework, in which estimators are obtained by solving consensus-constrained optimization with kernel-smoothed rank loss. The developed estimation scheme relies solely on local node data and information shared by neighboring nodes, thereby achieving privacy preservation and high communication efficiency. For heterogeneous network settings, we establish finite-sample error bounds for the decentralized CRR estimator and derive exact support recovery guarantees for the sparse decentralized CRR Lasso estimator. To facilitate numerical implementation, we adopt a generalized consensus ADMM to efficiently solve local subproblems across all network nodes. We verify the favorable performance of our developed approach via extensive numerical simulations and real-data experiments.
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Machine Learning · Cross-listed from cs.DB

Extending Desbordante with Probabilistic Functional Dependency Discovery Support

Data profiling aims to extract complex patterns from data for further analysis and use that data in domains such as data cleaning, data deduplication, anomaly detection, and many more. Functional dependencies (FDs) are one of the most well-known patterns. However, they are poorly suited for these tasks, as real data is usually dirty, and the rigid definition of FDs does not allow algorithms to locate them. For this reason, there are several formulations aimed at relaxing FDs to support dirty data, with approximate functional dependency (AFD) being the most popular one. Another formulation is the Probabilistic Functional Dependency (pFD), which we aim to support inside Desbordante - a science-intensive, high-performance and open-source data profiling tool implemented in C++. However, pFDs are relatively poorly studied, compared to AFDs. In this paper we study pFDs, both analytically and empirically. We start by assessing how different pFDs and AFDs are by studying cases in which pFDs have an edge over AFDs. Then, we implement the algorithm for pFD discovery, as well as study its run time and memory consumption. We also compare it with an AFD discovery algorithm. Lastly, we study the output of both algorithms to learn whether or not it is possible to use AFD discovery algorithm to get pFDs and vice versa.
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All authors Ilia Barutkin, Maxim Fofanov, Sergey Belokonny, Vladislav Makeev, George Chernishev

Machine Learning

Variational-Ising-Attention:Tailored Attention Matters for Science

Attention enables context modeling via query-key scoring with softmax normalization. Driven by industrial long-context demands, mainstream research has converged toward sparsity and efficiency, yet softmax's independence assumption persists. For scientific tasks unburdened by long-token constraints, however, richer structured coupling may often be essential, making tailored attention both viable and more appropriate. To this end, we propose Variational-Ising-Attention (VIA), which augments softmax normalization with an interacting Ising model; attention patterns emerge from learnable pairwise couplings via variational mean-field inference, extending attention from a ranking over isolated items to a collective state over interacting entities. We instantiate VIA on retrosynthesis reaction center prediction and, as a controlled internal ablation, on protein residue contact prediction, two structured prediction tasks governed by cooperative constraints: cooperative bond-breaking for retrosynthesis and inter-residue interactions for protein contact prediction. Comprehensive experiments across model variants, coupled with mechanistic analyses, demonstrate that VIA substantially outperforms standard softmax attention. More broadly, our findings suggest that for scientific problems, the optimal solution is not general-purpose efficiency, but appropriately tailored attention aligned with intrinsic domain structure. This work provides a theoretically grounded and empirically validated instantiation of this paradigm.
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Machine Learning · Cross-listed from cs.DB

Order in Desbordante: Techniques for Efficient Implementation of Order Dependency Discovery Algorithms

Science-intensive data profiling focuses on discovery and validation of various patterns in datasets. This study considers discovery of one such pattern - order dependency (OD). Simply put, OD states that some list of columns is ordered according to another one. It is of use for database query optimization, data cleaning and deduplication, anomaly detection, and much more. Existing discovery methods have approached this problem solely from the algorithmic standpoint, without focusing on the implementation side. At the same time, this problem is very computationally intensive, and therefore this part should not be ignored, as it brings ODs closer to industrial use. In this paper, we study two algorithms for OD discovery which target different OD axiomatizations - FASTOD and ORDER. We start by reimplementing these algorithms in C++ in order to speed them up and lower their memory consumption. We then analyze their bottlenecks and propose several techniques which improve their performance even further. To perform evaluation, we have implemented these algorithms inside Desbordante - a science-intensive, high-performance, and open-source data profiling tool developed in C++. Experiments have demonstrated a performance improvement of up to 3x obtained by reimplemented versions, and, with the application of our techniques, up to 10x. Memory consumption has been lowered by up to 2.9x.
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All authors Yakov Kuzin, Dmitriy Shcheka, Michael Polyntsov, Kirill Stupakov, Mikhail Firsov, George Chernishev

Machine Learning

Optimal Reward Shaping: Autonomous Car Parking Case Study

Designing effective reward functions for model-free reinforcement learning under non-holonomic constraints remains a persistent challenge, often resulting in severe local minima such as policy paralysis or over-conservative hazard avoidance. In this work, we present a parameterized reward shaping framework featuring coverage-gated alignment feedback, drive-direction switch regularization, and an aligned episode termination mechanism evaluated on an autonomous parallel parking task. Crucially, we show that environmental reward parameters and algorithmic hyperparameters are deeply co-dependent, requiring joint meta-optimization to achieve stable convergence. By employing surrogate-based Bayesian optimization, our co-optimized Deep Q-Network (DQN) agent resolves characteristic control failure modes, significantly outperforming uncalibrated baselines across both success rate and trajectory smoothness.
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Machine Learning

Restoration Flow Matching-Based Channel Refinement and Equalization Correction for MIMO Semantic Communications

In multiple-input multiple-output (MIMO) semantic communication, imperfect channel state information (CSI) and equalization mismatch can seriously degrade semantic reconstruction quality. To address this issue, we propose a unified restoration flow matching (RFM)-based framework for channel refinement and equalization correction. Specifically, the channel RFM (CRFM) module is developed to refine the coarse channel, thereby improving channel estimation accuracy. Based on the refined channel, the developed semantic RFM (SRFM) module is employed to correct the residual distortions in the post-equalization latent space. The key idea is to formulate the two cascaded inverse problems of channel estimation and equalization as the unified conditional restoration task, in which the learned conditional velocity field guides the perturbed distribution towards the target distribution. To enhance the robustness of these two modules under various distortion conditions, we develop a dual-anchor perturbation training strategy that jointly learns near-manifold refinement and large-error correction, and implement inference through a few-step deterministic ordinary differential equation (ODE) solver. Extensive experiments on MIMO channels and visual semantic transmission tasks demonstrate that the proposed scheme improves key metrics for channel estimation and semantic reconstruction quality. Moreover, compared with representative diffusion-based generative baselines, the proposed method requires fewer sampling steps.
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All authors Wenkai Liu, Nan Ma, Jianqiao Chen, Xiaodong Xu, Meixia Tao, Ping Zhang

Machine Learning · Cross-listed from cs.CR

DualityCert: Verifier-Gated Language-Model Repair of Broken Duality Claims in Quantum Field Theory

We present DualityCert, a symbolic verifier for candidate Seiberg-duality claims in four-dimensional N=1 quiver gauge theories. The verifier evaluates 't Hooft anomaly matching, superpotential R-charge consistency, central-charge matching, and a bounded chiral-ring proxy. A claim that passes receives a consistency certificate, which states that no tested inconsistency was found, not that the duality is proven. We use the verifier as a repair environment for language-model agents, which receive a deliberately broken claim and must edit it until it certifies. On a preregistered benchmark of 145 broken claims, with the analysis fixed before the first confirmatory model call, verifier-gated retry improves final repair success over a single attempt by +8.3 percentage points (pp) on deepseek-chat and +7.1 pp on qwen-plus (Holm-adjusted p<0.002). Under an equal budget of eleven attempts, the stop-first strategy portfolio underperforms independent verifier-filtered resampling by 10.3 percentage points on deepseek-chat but outperforms it by 14.7 points on qwen-plus, reversing the ordering of the two tested verifier-exploitation policies across the two confirmatory models. On qwen-plus, category-level verifier feedback is worth +8.7 pp over content-free retry, and interpretable obligation identities alone are worth +6.4 pp over structurally identical masked feedback. Neither effect is detected on deepseek-chat. Separately, a preregistered MiniMax-M2.5 extension again finds an iteration gain and independent verifier-filtered resampling outperforming the strategy portfolio. Which policy is better thus differs between the two models, while every winning policy uses the same cheap certificate. The verifier, benchmark, protocol, and all per-attempt records are released.
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Machine Learning

MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model

Molecular structure elucidation from tandem mass spectra (MS/MS) is a central inverse problem in analytical chemistry. Most existing approaches to MS/MS identification remain tied to reference libraries or predefined candidate sets, whereas de novo methods aim to generate structures directly from spectra. A common de novo route predicts a molecular fingerprint from the spectrum and then decodes structures from it, enabling decoder pretraining on large molecule-only corpora. However, this paradigm creates a training-inference mismatch: the decoder is trained on oracle fingerprints computed from molecules, but at inference it is queried with a noisy spectrum-induced fingerprint posterior that is typically collapsed to a single thresholded fingerprint. We introduce MS-GPT, which recasts fingerprint-mediated de novo elucidation as spectrum-induced posterior querying of a conditional molecule-language model. MS-GPT conditions a molecule-language model on fingerprints and formulas, then converts the spectrum-induced posterior into a band of fingerprint queries near the oracle-fingerprint manifold through active-bit density calibration. Candidates sampled across this band are pooled and ranked by generation frequency and posterior similarity. A lightweight LoRA adapter further mitigates domain-specific posterior bias while preserving the pretrained molecular prior. On NPLIB1 and MassSpecGym, MS-GPT sets a new state of the art, reaching Top-1/Top-10 exact-match accuracy of 17.1%/27.6% and 10.2%/13.2%, respectively, and candidate-pool scaling improves recovery with a near-linear increase in inference cost. The source code and model checkpoints are available at https://github.com/VIKI623/MS-GPT.
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All authors Xin Zhao, Yumin Liu, Zhuo Li, Weichu Zheng, Feng Zhu, Xiaokang Yang, Yaohui Jin, Yanyan Xu

Machine Learning · Cross-listed from cs.RO

Action from Adjacent Set in Physical Space Outperforms the Best Prediction in World Models

Controllers based on sampling and latent world models assign a predicted terminal cost to each candidate action sequence, choose the minimum, execute its first action block, and replan. This rule can fail even when the terminal cost perfectly and accurately reflects the true task objective in the physical world. Residual prediction error can give an infeasible sequence an anomalously low cost, and a larger proposal pool gives such errors more chances to outrank feasible alternatives. We call this conditional failure proposal overgeneration. In Cube candidate execution audits, increasing the total proposal budget from 72 to 288 reduces the feasibility of selection by minimum latent cost from .375 to .062 for position targets and from .344 to .031 for targets defined by position and yaw, although every larger pool contains a feasible sequence. We introduce Adjacent Set Action Reconstruction (ASAR). Among proposals with low cost, ASAR identifies an adjacent set using standardized early action prefixes and reconstructs a full action sequence through locally weighted aggregation with a light anchor from the sequence with minimum cost. On a Carry and Release evaluation set of 75 queries, Kernel ASAR improves event completion success over matching selection by 28.0, 24.0, and 18.7 percentage points under latent cost and by 18.7, 20.0, and 17.3 points under a trajectory reachability cost at 72, 144, and 288 proposals. Analysis of finite proposal pools characterizes selection risk from the lower tail, separation by a related radius support statistic, and sequence containment under an explicit local feasibility condition.
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All authors Liangyu Li, Qingwen Liu, Mingqing Liu, Wen Fang

Machine Learning · Cross-listed from cs.RO

Anticipatory Risk-Guided Reinforcement Learning for Safe Flight Through Dynamic Clutter

Safe quadrotor navigation in cluttered and dynamic environments depends not only on instantaneous geometric perception, but more critically on anticipating collision risks induced by relative motion. Conventional modular pipelines frequently suffer from perception latency, while end-to-end learning methods relying on implicit scalar rewards often struggle to extract reliable spatio-temporal features without physics-grounded supervision. To address this, we propose an anticipatory risk-guided reinforcement learning framework. Leveraging privileged simulator states, we construct a directionally aligned future collision risk map based on the Closest Point of Approach (CPA). Through an asymmetric actor-critic architecture, the network is trained to self-predict this structured risk, which explicitly guides the visual policy during deployment. A lightweight spatio-temporal encoder extracts motion cues directly from onboard depth sequences, bypassing explicit object tracking or optical flow estimation. Extensive simulated and real-world experiments demonstrate that our method effectively improves safety margins and flight efficiency in dense dynamic clutters compared to existing baselines. Furthermore, the learned policy achieves robust zero-shot Sim-to-Real transfer on a physical quadrotor, relying purely on abstracted spatio-temporal depth sequences and its self-predicted risk priors, validating the effectiveness of our approach and its robust generalization from simulation to reality.
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All authors Yuchao Mei, Guohao Zhang, Luxia Ai, Haopeng Chen, Wenbing Tao

Machine Learning

Random Forest-Based Prediction of Bone Volume Fraction and Fracture Position from S-Parameters

In this paper, we propose a method for predicting bone volume fraction (BVF) and fracture position by constructing a random forest model based on multichannel S-parameters. A nine-antenna microwave scanning system is designed and fabricated to acquire the multichannel S-parameter data. Bone-mimicking phantoms are developed, and corresponding experiments are conducted to validate the effectiveness of the proposed approach. Both synthetic and experimental results demonstrate the validity of the method.
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All authors Jianhe Li, Jinsui Meng, Yida Zhao, Zihe Wang, Liaoran Sun, Tao Shan

Machine Learning · Cross-listed from cs.LO

An Unofficial FastLAS Tutorial: A Programmer's Guide

FastLAS is a scalable system for Inductive Logic Programming (ILP): you give it some background knowledge, a language bias, and a set of examples, and it searches for a set of logic program rules (a hypothesis) that explains the examples. These notes are a hands-on introduction to writing FastLAS programs. They are organised as a programmer's guide: syntax first, then a ladder of worked, numbered examples of increasing difficulty. Every self-contained example here has been run against FastLAS 2.2.0 and shows the tool's actual output. We keep theory to the minimum needed to write correct programs; throughout, set-off notes flag where FastLAS differs from its sibling system ILASP, and where the two learning algorithms (–opl and –nopl) behave differently. The document is intended as an unofficial tutorial to FastLAS 2.2.0, not as an official language specification.
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Machine Learning

Neonatal Hypoxic-ischaemic Encephalopathy Classification from the EEG and HRV Signals Using a Conformer based Masked Autoencoder

In this paper, we propose the MAEConformer, a novel self-supervised learning framework that combines the Conformer architecture with the Masked Autoencoder (MAE) paradigm for large-scale representation learning from unlabelled electroencephalography (EEG) and heart rate variability (HRV) signals. By integrating convolutional operations with Transformer-based self-attention, MAEConformer effectively captures both local temporal patterns and long-range contextual dependencies in physiological time series. To enhance reconstruction fidelity and representation quality, a multi-resolution short-time Fourier transform (MR-STFT) loss is incorporated alongside the reconstruction objective, enabling the model to jointly learn temporal and spectral characteristics across multiple scales. Modality-specific EEG and HRV MAEConformer models were pretrained on 6,030h and 4,868h of unlabelled recordings, respectively, and subsequently transferred to expert-annotated downstream tasks. Experimental results demonstrate that the learned representations provide strong transferability and data efficiency. In EEG-based hypoxic ischemic encephalopathy (HIE) severity classification, the pretrained MAE-EEG model achieved test AUCs of 97.19% and 96.56% for binary and four-class classification tasks, respectively, outperforming a range of state-of-the-art supervised and self-supervised baselines. On the HRV-based HIE severity classification task, MAE-HRV achieved a test AUC of 82.42%, surpassing both self-supervised Transformer-based and supervised convolutional baselines. These findings demonstrate the effectiveness of MAEConformer for learning robust and transferable representations across multiple physiological modalities.
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All authors Shuwen Yu, William P Marnane, Geraldine B. Boylan, Gordon Lightbody

Machine Learning

Chamaileon: Cross-Context Binder Design with Contextualized Modeling and Mixed Sampling

The rapid evolution of generative models has unlocked new potentials in protein binder design, a pivotal task in structural biology, by facilitating end-to-end generation via joint sequence-structure modeling or hallucination. However, existing approaches are predominantly implemented under a single-target, single-state assumption, limiting their ability to model multi-target or multi-state interactions required for advanced function-oriented protein design. Here, we introduce Chamaileon, which unifies multi-target and multi-state binder design by formulating the problem as cross-context binding landscape modeling. The framework is underpinned by a training paradigm termed In-Context Complex Co-Design (I3CD) for context-aware sequence-structure co-modeling. During inference, we employ Mixture-of-Paths Sampling (MoPS), a scalable strategy that optimizes a single sequence across contexts while alleviating the scarcity of high-quality multi-conformational paired data. Extensive evaluation on our newly constructed benchmark, CROSS, demonstrates that Chamaileon effectively generates sequences adaptable to diverse conformational landscapes and multi-target requirements. The code is available on https://github.com/caohengyuan/Chamaileon.
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All authors Hengyuan Cao, Shizhuo Cheng, Mingxuan Liu, Weicheng Huang, Yunhong Lu, Chenxi Cai, Yan Zhang, Min Zhang

Machine Learning

Topological Data Analysis and Graph-Theoretic Approaches for Tennis Match Prediction

We present two approaches for predicting tennis match outcomes using topological data analysis and graph theory on ATP singles matches from 2000-2025. The first method applies lower-star filtration to player competitive networks, extracting topological features through persistent homology using four summary methods (VAB, HNAV, HWNAV, OW-HNPV) combined with Modified Band Depth analysis. Algorithmic optimizations including ego graph approximations and triangle elimination enable analysis of about 66k matches. Our Random Forest model achieves 66.2% accuracy (AUC = 0.719) using topological, graph-theoretic, and ranking features. Feature importance analysis reveals that rankings contribute 36.3%, centralities 25.5%, and TDA features 24.0%, with topological features providing complementary signal. When rankings are unavailable, the topology-only model maintains 63.56% accuracy, demonstrating that network-derived features alone capture meaningful competitive structure. The second method uses a modified Katz similarity index with temporal edge weighting, achieving 62.48% accuracy on held-out test data. This work represents the first application of lower-star filtration to tennis prediction, provides systematic comparison of four topological summary methods in sports analytics, and demonstrates that TDA can achieve above-chance prediction using network topology alone while providing additional value when combined with traditional features.
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All authors Jake Schwaderer, Alexander Bastien, Omid Khormali, Alejandro Navarrete, Mia Pesavento, Angelika Elderbrook

Machine Learning

Impute On-Demand: Adaptive Correlated Time Series Imputation for Changing Environments

Internet of Things (IoT) applications generate vast amounts of Correlated Time Series (CTS) data that often contain missing values and require imputation. Existing methods emphasize accuracy but often lack adaptability to changing IoT environments: they are vulnerable to sensor failures, cannot selectively impute only incomplete sensors, and use static architectures that do not adapt to resource availability. To address these limitations, we propose AdaCTSi, an adaptive CTS imputer for changing environments. AdaCTSi combines a One-shot Temporal Convolutional Network with a Learned Time-Sensor Index Table to extract and decouple complex spatio-temporal features into sensor-wise embeddings, enabling adaptation to varying sensor subsets. Sparse Spatial Attention efficiently extracts dynamic spatial correlations, while Correlation-Weighted Sensor Selection selects informative sensors to provide sufficient spatial context. Experiments with twelve baseline methods, three adaptability scenarios, and five benchmark datasets covering traffic, air quality, and trajectory data show that AdaCTSi reduces MAE by an average of 33.1% relative to the strongest baseline on each dataset. A single trained model supports sensor-subset and resource-adaptive inference, and its modest memory footprint enables deployment on commodity computing devices, including MCUs.
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All authors Zhichen Lai, Huan Li, Dalin Zhang, Dong Gong, Lina Yao, Christian S. Jensen

Machine Learning · Cross-listed from stat.ML

Learning switched non-linear dynamical systems from a single trajectory

We study empirical risk minimization for learning non-linear dynamical systems whose transition dynamics may switch over time. Under stability assumptions, and i.i.d switching over a set of $K$ modes, we derive non-asymptotic bounds on the prediction risk expressed in terms of the metric entropy of the underlying function class. We instantiate our general result for Hölder and linear function classes, obtaining explicit convergence rates that depend on the effective sample size $Tp_i$, where $T$ is the trajectory length and $p_i$ is the probability of observing mode $i$. Numerical simulations support our theoretical findings. To the best of our knowledge, these results are the first non-asymptotic guarantees for learning switched nonlinear dynamical systems from a single trajectory.
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