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Computer Science Machine Learning

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Sunday 19 April

Machine Learning · Cross-listed from stat.ML

PAC-Bayes Bounds for Gibbs Posteriors via Singular Learning Theory

We derive explicit non-asymptotic PAC-Bayes generalization bounds for Gibbs posteriors, that is, data-dependent distributions over model parameters obtained by exponentially tilting a prior with the empirical risk. Unlike classical worst-case complexity bounds based on uniform laws of large numbers, which require explicit control of the model space in terms of metric entropy (integrals), our analysis yields posterior-averaged risk bounds that can be applied to overparameterized models and adapt to the data structure and the intrinsic model complexity. The bound involves a marginal-type integral over the parameter space, which we analyze using tools from singular learning theory to obtain explicit and practically meaningful characterizations of the posterior risk. Applications to low-rank matrix completion and ReLU neural network regression and classification show that the resulting bounds are analytically tractable and substantially tighter than classical complexity-based bounds. Our results highlight the potential of PAC-Bayes analysis for precise finite-sample generalization guarantees in modern overparameterized and singular models.
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Machine Learning

Continual Safety Alignment via Gradient-Based Sample Selection

Large language models require continuous adaptation to new tasks while preserving safety alignment. However, fine-tuning on even benign data often compromises safety behaviors, including refusal of harmful requests, truthfulness, and commonsense reasoning. We investigate which training samples cause alignment drift through a data-centric lens. Our empirical analysis shows samples contribute unequally: high-gradient samples cause greater safety degradation and drive models toward pretrained distributions, while moderate-gradient samples enable task learning with minimal alignment loss. We propose gradient-based sample selection that filters high-gradient samples during fine-tuning. Across multiple model families on continual domain tasks, our method substantially improves alignment preservation while maintaining competitive task performance, without requiring curated safe data or architectural modifications. Our method is robust across selection ratios, task orderings, and diverse attack benchmarks.
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All authors Thong Bach, Dung Nguyen, Thao Minh Le, Truyen Tran

Machine Learning

Guardrails in Logit Space: Safety Token Regularization for LLM Alignment

Fine-tuning well-aligned large language models (LLMs) on new domains often degrades their safety alignment, even when using benign datasets. Existing safety alignment techniques primarily focus on pretraining, leaving fine-tuned models vulnerable to behavioral shifts. In this work, we introduce safety token regularization (STR), a lightweight method designed to preserve safety properties during fine-tuning. Our approach identifies salient tokens from rejection templates of well-aligned models and constrains their associated logits during training, preventing the loss of critical safety behaviors. Unlike reinforcement learning or preference optimization methods, STR requires minimal additional computation and seamlessly integrates with parameter-efficient fine-tuning techniques such as LoRA. Comprehensive experiments demonstrate that our approach achieves safety performance on par with state-of-the-art methods, while preserving task-specific utility and requiring minimal implementation overhead. Furthermore, we show that safety token regularization enhances training stability and overall performance beyond safety considerations alone. This work offers a practical and readily deployable strategy for continual safety alignment in fine-tuned LLMs.
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Machine Learning

Demystifying the Unreasonable Effectiveness of Greedy Alignment Methods

Greedy AI alignment methods based on Bradley-Terry reward-model fitting and KL-regularized Alignment are remarkably effective in both offline and online preference-learning pipelines, yet existing O(log T) online and O(1/epsilon) offline KL-regularized regret rate guarantees can seem pessimistic relative to their empirical performance. We argue that this mismatch reflects a distinction between two learning targets: KL-regularized regret measures how fast we can recover the KL-regularized aligned policy, whereas we often only ask how fast we can learn the reward function that induces the correct best response. To isolate this reward-learning component, we study the traditional temperature-zero regret criterion, which evaluates only the top-ranked response at inference time. Under realizability, compactness, and a uniform best-response margin over the fitted reward class, we prove that exact reference-logged offline RLHF achieves exponentially small expected temperature-zero regret, and therefore reaches expected regret at most epsilon with O(log(1\epsilon)) offline comparisons. We also prove that exact greedy online RLHF achieves bounded O(1) cumulative temperature-zero regret; the same guarantee extends to its equivalent pairwise online DPO formulation. By separating selector identification from full soft-policy recovery, our results provide a sharper theoretical explanation for the empirical efficiency of greedy alignment.
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Machine Learning · Cross-listed from stat.ML

Forecast Sports Outcomes under Efficient Market Hypothesis: Theoretical and Experimental Analysis of Odds-Only and Generalised Linear Models

Converting betting odds into accurate outcome probabilities is a fundamental challenge in order to use betting odds as a benchmark for sports forecasting and market efficiency analysis. In this study, we propose two methods to overcome the limitations of existing conversion methods. Firstly, we propose an odds-only method to convert betting odds to probabilities without using historical data for model fitting. While existing odds-only methods, such as Multiplicative, Shin, and Power exist, they do not adjust for biases or relationships we found in our betting odds dataset, which consists of 90014 football matches across five different bookmakers. To overcome these limitations, our proposed Odds-Only-Equal-Profitability-Confidence (OO-EPC) method aligns with the bookmakers' pricing objectives of having equal confidence in profitability for each outcome. We provide empirical evidence from our betting odds dataset that, for the majority of bookmakers, our proposed OO-EPC method outperforms the existing odds-only methods. Beyond controlled experiments, we applied the OO-EPC method under real-world uncertainty by using it for six iterations of an annual basketball outcome forecasting competition. Secondly, we propose a generalised linear model that utilises historical data for model fitting and then converts betting odds to probabilities. Existing generalised linear models attempt to capture relationships that the Efficient Market Hypothesis already captures. To overcome this shortcoming, our proposed Favourite-Longshot-Bias-Adjusted Generalised Linear Model (FL-GLM) fits just one parameter to capture the favourite-longshot bias, providing a more interpretable alternative. We provide empirical evidence from historical football matches where, for all bookmakers, our proposed FL-GLM outperforms the existing multinomial and logistic generalised linear models.
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Machine Learning

Do LLM-derived graph priors improve multi-agent coordination?

Multi-agent reinforcement learning (MARL) is crucial for AI systems that operate collaboratively in distributed and adversarial settings, particularly in multi-domain operations (MDO). A central challenge in cooperative MARL is determining how agents should coordinate: existing approaches must either hand-specify graph topology, rely on proximity-based heuristics, or learn structure entirely from environment interaction; all of which are brittle, semantically uninformed, or data-intensive. We investigate whether large language models (LLMs) can generate useful coordination graph priors for MARL by using minimal natural language descriptions of agent observations to infer latent coordination patterns. These priors are integrated into MARL algorithms via graph convolutional layers within a graph neural network (GNN)-based pipeline, and evaluated on four cooperative scenarios from the Multi-Agent Particle Environment (MPE) benchmark against baselines spanning the full spectrum of coordination modeling, from independent learners to state-of-the-art graph-based methods. We further ablate across five compact open-source LLMs to assess the sensitivity of prior quality to model choice. Our results provide the first quantitative evidence that LLM-derived graph priors can enhance coordination and adaptability in dynamic multi-agent environments, and demonstrate that models as small as 1.5B parameters are sufficient for effective prior generation.
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Machine Learning · Cross-listed from cs.SE

SynthFix: Adaptive Neuro-Symbolic Code Vulnerability Repair

Large Language Models (LLMs) can generate plausible code patches, but plausibility is not enough for automated repair: a patch must compile, pass tests, and remove the target vulnerability. We present SynthFix, a neuro-symbolic repair framework that combines supervised repair learning with compiler-informed feedback. During training, a lightweight router selects between Supervised Fine-Tuning (SFT) for common repair patterns and Reward Fine-Tuning (RFT) for examples that benefit from symbolic feedback. The reward combines static structure, lint/compile checks, security scanning, and public execution tests where available; at inference time, the same evidence guides best-of-K candidate selection under a greedy floor. Across five code LLMs (1.3B-7B) on pyrepair, CodeFlaws, and SVEN, SynthFix improves deployable repair metrics over SFT-only and RFT-only baselines, with relative gains up to 54 percent in functional correctness and 14 percent in security clearance. Our code and data are available at https://github.com/CoderDoge1108/SynthFix.
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All authors Yifan Zhang, Jieyu Li, Kexin Pei, Yu Huang, Kevin Leach

Machine Learning · Cross-listed from cs.CE

A Model and Estimation of the Bitcoin Transaction Fee

Bitcoin transaction fees will become more important as the block subsidy declines, but fee formation is hard to study with blockchain data alone because the relevant queueing environment is unobserved. We develop and estimate a structural model of Bitcoin fee choice that treats the mempool as a market for scarce blockspace. We assemble a novel, high-frequency mempool panel, from a self-run Bitcoin node that records transaction arrivals, exits, block inclusion, fee-bumping events, and congestion snapshots. We characterize the fee market as a Vickery-Clarke-Groves mechanism and derive an equation to estimate fees. In the first-stage we estimate a monotone delay technology linking fee-rate priority and network state to expected confirmation delay. We then estimate how fees respond to that delay technology and to transaction characteristics. We find that congestion is the main determinant of delay; that the marginal value of priority is priced in fees, which is increasing in the gradient of confirmation time reduction per movement up in the fee queue; and that transactor choice of RBF, CPFP, and block conditions have economically important effects on fees.
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Machine Learning

Decomposing the Depth Profile of Fine-Tuning

Fine-tuning adapts pretrained networks to new objectives. Whether the resulting depth profile of representational change reflects an intrinsic property of the model or the magnitude of gradient flow has not been tested directly. We measure this profile across 240 fine-tuning runs spanning 15 models in four architecture families (encoder and decoder transformers, a state-space model, and an RNN) at scales from 125M to 6.9B parameters. Representational change concentrates in output-proximal layers in every standard-training run except one. We apply a per-layer control that equalizes $\|\Delta W\|/\|W\|$ across layers after each optimizer step. Under this control, the profile persists in some conditions and collapses in others. At 125M–350M, sequential-block architectures (BERT, OPT, GPT-2) retain the slope across tested objectives while parallel-block architectures (Pythia, CodeGen) retain it only for causal-language-modeling objectives. This architectural distinction narrows at 1.3B–1.4B, where both block types show positive equal-step slopes for CausalLM. Under standard training, profile shape is described by two additional axes: steepness tracks a training-free objective distance at initialization, and profile width is dominated by architecture. We treat the locality gradient, the depthwise slope of representational change, as a composite phenomenon whose components are scale-dependent.
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Machine Learning

RosettaSearch: Multi-Objective Inference-Time Search for Protein Sequence Design

We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of controlled exploration and exploitation, using rewards computed from RosettaFold3, a structure prediction model, under a strict computational budget. In a large-scale evaluation, we apply RosettaSearch to 400 suboptimal sequences generated by LigandMPNN (a state-of-the-art model trained for protein sequence design), recovering high-fidelity designs that LigandMPNN's single-pass decoding fails to produce. RosettaSearch's designs show improvements in structural fidelity metrics ranging between 18% to 68%, translating to a 2.5x improvement in design success rate. We observe that these gains in success rate are robust when RosettaSearch-designed sequences are evaluated with an independent structure prediction oracle (Chai-1) and generalize across two distinct LLM families (o4-mini and Gemini-3), with performance scaling consistently with reasoning capability. We further demonstrate that RosettaSearch improves the sequence fidelity of ProteinMPNN designs for de novo backbones from the Dayhoff atlas, showing that the approach generalizes beyond native protein structures to computationally generated backbones. We also demonstrate a multi-modal extension of RosettaSearch with vision-language models, where images of predicted protein structures are used as feedback to incorporate structural context to guide protein sequence generation. To our knowledge, this is the first large-scale demonstration that LLMs can serve as effective generative optimizers for backbone-conditioned protein sequence design, yielding systematic gains without any model retraining.
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All authors Meghana Kshirsagar, Allen Nie, Ching-An Cheng, Fanglei Xue, Rahul Dodhia, Juan Lavista Ferres, Kevin K. Yang, Frank DiMaio

Saturday 18 April

Machine Learning

One Mask to Rule Them All: On Hidden Facts after Editing and How to Find Them

Knowledge editing methods such as ROME and MEMIT update factual associations in transformer models by modifying MLP weights. While evaluated mainly by output behavior, their internal mechanism remains underexplored. We investigate whether edits rely on a common mechanism, regardless of which fact is modified. Despite fact-specific weight changes, we argue that ROME and MEMIT target the same subset of weights critical for maintaining edits. To isolate this subset, we train a compact binary mask over the edited weights. The mask reverses 80% of edits on the training set and over 70% on the test set, confirming that diverse edits share a common functional structure. Our analysis reveals that the mask reverses edits by eliminating overattention in later layers. Additionally, we show that injecting the mask during editing drops editing success from 98% to 38%, demonstrating that this mechanism is necessary for edits to succeed. Our finding that edits suppress rather than overwrite knowledge explains why ROME and MEMIT fail to propagate changes to related facts. The identified common functional subspace informs detection and defense against unwanted edits.
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All authors Ali Holmov, Paul Youssef, Nandi Schoots, Christin Seifert

Machine Learning

HealthCraft: A Reinforcement Learning Safety Environment for Emergency Medicine

Frontier language models are being deployed into clinical workflows faster than the infrastructure to evaluate them safely. Static medical-QA benchmarks miss the failure modes that matter in emergency medicine: trajectory-level safety collapse, tool misuse, and capitulation under sustained clinical pressure. We present HealthCraft, the first public reinforcement-learning environment that rewards trajectory-level safety under realistic emergency-medicine conditions, adapted from Corecraft. It is built on a FHIR R4 world state with 14 entity types and 3,987 seed entities, exposes 24 MCP tools, and defines a dual-layer rubric that zeroes reward whenever any safety-critical criterion is violated. We release 195 tasks across six categories, graded against 2,255 binary criteria (515 safety-critical); a post-hoc 10-task negative-class slate extends this to 205 tasks and 2,337 criteria. V8 results on two frontier models show Claude Opus 4.6 at Pass@1 24.8% [21.5-28.4] and GPT-5.4 at 12.6% [10.2-15.6], with safety-failure rates of 27.5% and 34.0%. On multi-step workflows - the closest proxy to real emergency care - performance collapses to near zero (Claude 1.0%, GPT-5.4 0.0%) despite partial competence on individual steps. Six infrastructure bugs fixed between pilots v2 and v8 re-ordered which model "looks stronger," evidence that infrastructure fidelity is part of the measurement. A deterministic LLM-judge overlay bounds evaluator noise, and a 60-run negative-class smoke pilot shows the reward signal is not drop-in training-safe: restraint criteria pass at 0.929 prevalence, a gameability an eval harness can tolerate but a training reward cannot. We scaffold coupling to a Megatron+SGLang+GRPO loop per Corecraft Section 5.2 and leave training-reward ablations as future work. Environment, tasks, rubrics, and harness are released under Apache 2.0.
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Machine Learning · Cross-listed from cs.CY

Do LLMs Hold Their Values? MANTA: A Multi-Turn Adversarial Benchmark for Animal Welfare Reasoning

Evaluating animal welfare reasoning in LLMs remains an open challenge despite rapid deployment in consumer and professional contexts where welfare considerations appear implicitly in everyday queries. Existing benchmarks such as AnimalHarmBench evaluate this through single-turn, explicitly framed questions, measuring whether models avoid harmful content when directly asked. This approach overlooks two failure modes: alignment degradation under sustained adversarial pressure, and moral sensitivity (whether a model spontaneously surfaces welfare stakes in everyday queries). To fill this gap, we construct MANTA, a benchmark of 1,088 five-turn conversations progressing from an implicit Turn-1 scenario through an explicit welfare prompt to three adversarial pressure rounds drawn from a five-type taxonomy: Social, Cultural, Economic, Pragmatic, and Epistemic. We score conversations on two dimensions: Animal Welfare Value Stability (AWVS, primary) and Animal Welfare Moral Sensitivity (AWMS, diagnostic). We evaluate seven frontier models: Claude Opus 4.7, GPT-5.5, DeepSeek V4, Llama 3.3 70B, Mistral Small, Grok 4.3, and Gemini 3.1 Flash Lite. Multi-turn evaluation captures behavior single-turn benchmarks miss: 4 of 7 models change rank relative to Turn 1 moral-sensitivity scores", including Gemini Flash Lite, which drops from fifth on AWMS to last on AWVS. AWMS and AWVS are positively but imperfectly correlated, suggesting moral-sensitivity tests capture a stable but incomplete component of model behavior under pressure. MANTA also enables a species-by-pressure interaction matrix unavailable to prior benchmarks, showing welfare robustness depends jointly on the animal and pressure applied; companion animals score above wild animals, which score above farmed animals and invertebrates. We release the dataset, scripted pressure plans, judge prompts, and analysis code.
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All authors Isabella Luong, Joyee Chen, Sankalpa Ghose, David Williams-King, Linh Le, Allen Lu

Machine Learning

Channel-Level Semantic Perturbations: Unlearnable Examples for Diverse Training Paradigms

The unauthorized use of personal data in model training has emerged as a growing privacy threat. Unlearnable examples (UEs) address this issue by embedding imperceptible perturbations into benign examples to obstruct feature learning. However, existing studies mainly evaluate UEs under from-scratch training settings, leaving their behavior under the widely adopted pretraining-finetuning (PF) paradigm largely unexplored. In this work, we provide the first systematic investigation of unlearnable examples across diverse training paradigms. Our analysis reveals that loading and freezing pretrained weights significantly weakens the effectiveness of existing UEs methods. We further explain these findings through semantic filtering: while UEs tend to induce models to overfit non-semantic noise, thereby weakening their semantic extraction capabilities, under the PF paradigm, frozen shallow layers preserve data semantics, effectively filtering out distracting information like unlearnable noise. Guided by these insights, we propose a hierarchical deception strategy, Shallow Semantic Camouflage (SSC), that confines the generation process to a semantically valid subspace, aiming to bypass the semantic suppression introduced by pretrained weights. Extensive experiments demonstrate that our method consistently preserves data unlearnability even under challenging training paradigms, such as shallow-layer freezing and semantic-focused pretraining (SF-Pretrain), bridging the critical gap in pretrain-based unlearnable learning.
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All authors Bo Wang, Jia Ni, Mengnan Zhao, Zhan Qin, Kui Ren

Machine Learning

Structural Instability of Feature Composition

Sparse Autoencoders (SAEs) have emerged as a powerful paradigm for disentangling feature superposition in transformer-based architectures, enabling precise control via activation steering. However, the theoretical foundations of compositional steering – the simultaneous activation of distinct semantic latents – remain under-explored. The prevailing Linear Representation Hypothesis often abstracts away non-linear interference effects that arise in overcomplete dictionaries. We present a geometric framework for analyzing the instability of feature unions. Modeling the activation space as a high-dimensional sparse cone manifold, we derive an asymptotic compositional-collapse threshold under a spherical dictionary model, characterized by the Gaussian mean width (statistical dimension) of the signal cone. We further show that, in the high-bias regime, ReLU rectification converts microscopic correlation-induced variance fluctuations into a systematic drift that accumulates under composition, yielding interference growth consistent with a ratchet effect. We validate the predicted scaling trends on structured semantic features extracted from CLEVR, where hierarchical correlations accelerate the transition relative to random baselines. Together, our results highlight geometric constraints on the scalability of union-based steering and motivate composition mechanisms that explicitly manage interference beyond naive linear superposition.
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Machine Learning

Adaptive Computation Depth via Learned Token Routing in Transformers

Standard transformer architectures apply the same number of layers to every token regardless of contextual difficulty. We present Token-Selective Attention (TSA), a learned per-token gate on residual updates between consecutive transformer blocks. Each gate is a lightweight two-layer multi-layer perceptron (MLP) that produces a continuous halting probability, making the mechanism end-to-end differentiable with 1.7% parameter overhead and no changes to the base architecture. Notably, TSA learns difficulty-proportional routing without any explicit depth pressure: even at $\lambda=0$ (no depth regularisation), the task-loss gradient alone drives the router to skip 20% of token-layer operations. On character-level language modeling, TSA saved 14-23% of token-layer operations (TLOps) across Tiny-Shakespeare and enwik8 at <0.5% quality loss. At matched efficiency, TSA achieved 0.7% lower validation loss than early exit, and the learned routing transfers directly to inference-time sparse execution for real wall-clock speedup.
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Machine Learning · Cross-listed from eess.SP

TimeRFT: Stimulating Generalizable Time Series Forecasting for TSFMs via Reinforcement Finetuning

Time Series Foundation Models (TSFMs) have demonstrated strong generalization capability and data efficiency in time series forecasting through large-scale pretraining. However, adapting TSFMs to downstream forecasting tasks remains challenging due to temporal distribution shifts and varying data availability. Specifically, the non-stationary and uncertain nature of time series data leads to discrepancies between historical training and future forecasting distributions, making existing Supervised FineTuning (SFT)-based adaptation vulnerable to overfitting and limited generalization. Moreover, forecasting tasks often operate under varying data regimes, requiring TSFMs to extract generalizable temporal patterns from limited training samples. To address these challenges, we propose Time series Reinforcement FineTuning (TimeRFT), a reinforcement learning-based adaptation paradigm for TSFMs. TimeRFT introduces two forecasting-oriented training recipes: (i) A quality-aware temporal reward mechanism providing fine-grained credit assignment by holistically evaluating the contribution of each prediction step to overall forecasting performance. (ii) A difficulty-aware data selection strategy prioritizing informative time series samples with generalizable forecasting patterns. Extensive experiments on diverse real-world forecasting benchmarks demonstrate that TimeRFT consistently surpasses SFT-based adaptation methods across various real-world forecasting tasks with different data regimes, achieving improved prediction accuracy and enhanced generalization against unforeseen distribution shifts.
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All authors Siyang Li, Yize Chen, Zijie Zhu, Yuxin Pan, Yan Guo, Ming Huang, Hui Xiong

Machine Learning · Cross-listed from q-bio.GN

Quantum AI for Cancer Diagnostic Biomarker Discovery

Quantum machine learning offers a promising new paradigm for computational biology by leveraging quantum mechanical principles to enhance cancer classification, biomarker discovery, and bioinformatics diagnostics. In this study, we apply QML to identify subtype specific biomarkers for lung adenocarcinoma (LUAD) and lung squamous cell carcinoma (LUSC), the two predominant forms of non-small cell lung cancer. Our methodology involves a two-phase process: in Phase 1, differential expression analysis and methylation analysis between tumor and normal samples allows us to identify LUAD-specific and LUSC-specific genes, revealing potential prognostic biomarkers for cancer subtypes. Phase 2 focuses on developing a quantum classifier capable of distinguishing between LUAD and LUSC tumors, as well as between tumor and normal samples. This classifier not only enhances diagnostic precision but also demonstrates the quantum advantage in processing large-scale multiomic datasets. Our results consistently demonstrated that Sample3, representing the combined gene set, achieved the highest overall predictive performance in all metrics. These results demonstrate that QML provides an effective and scalable approach for biomarker discovery and subtype specific cancer classification. GO enrichment analysis highlighted the significant involvement of genes in synaptic signaling, ion channel regulation, and neuronal development. In the quantum phase, KEGG analysis further identified enrichment in cancer-associated pathways, including neurotrophin, MAPK, Ras, and PI3KAkt signaling, with key genes such as NGFR, NTRK2, and NTF3 suggesting a central role in neurotrophinmediated oncogenic processes. Our findings highlight the growing potential of quantum computing to advance precision oncology and next-generation biomedical analytics.
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All authors Mandeep Kaur Saggi, Amandeep Singh Bhatia, Humaira Gowher, Sabre Kais

Machine Learning · Cross-listed from q-fin.GN

The Virtue of Sparsity in Complexity

Sparsity or complexity? In modern high-dimensional asset pricing, these are often viewed as competing principles: recent empirical evidence favors richer models, while economic intuition has long favored parsimony. We reconcile this tension by distinguishing capacity sparsity-restrictions on effective model capacity-from factor sparsity-the parsimonious structure of priced risks. Revisiting the benchmark empirical design of Didisheim et al. (2025), we combine nonlinear feature expansions with basis pursuit, using column generation and GPU acceleration to scale estimation to 432 million candidate factors. Reaching this scale reveals a reversal in out-of-sample performance: sparse portfolios trail dense ridgeless benchmarks at lower complexity but achieve a higher Sharpe ratio and lower pricing error at the largest candidate set. Capacity expansion and factor sparsity are therefore complements: enlarging the candidate space allows a parsimonious pricing kernel to outperform its dense counterpart.
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Machine Learning · Cross-listed from cs.HC

Lightweight Cybersickness Detection based on User-Specific Eye and Head Tracking Data in Virtual Reality

The occurrence of cybersickness in virtual reality (VR) significantly impairs users' perception and sense of immersion. Therefore, timely detection of cybersickness and the application of appropriate intervention strategies are crucial for enhancing the user experience. However, existing cybersickness detection methods often suffer from issues such as poor detection reliability across different levels of cybersickness and unnecessary model complexity. Furthermore, while cybersickness exhibits significant inter-user variability, most existing approaches aggregate all data from users and lack user-specific solutions. In this paper, we investigate a lightweight approach for cybersickness detection incorporating an ensemble learning model and user-specific eye and head tracking data. Our experiments using the open-source dataset Simulation 2021 demonstrate that feature engineering and training set construction are critical for determining detection performance. Models trained with data from similar-content segments achieve the best results, attaining detection accuracies of 93% in the cross-user setting and 88% in the user-personalized setting, using only 23-dimensional eye and head features. Moreover, by using user-specific data, well-tuned ensemble learning models with shorter training and inference times can be feasibly applied to real-world cybersickness detection, offering superior time efficiency and outstanding detection performance. This work offers useful evidence toward the development of lightweight and user-adaptive cybersickness detection models for VR applications.
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Machine Learning

Uncertainty Quantification in PINNs for Turbulent Flows: Bayesian Inference and Repulsive Ensembles

Physics-informed neural networks (PINNs) have emerged as a promising framework for solving inverse problems governed by partial differential equations (PDEs), including the reconstruction of turbulent flow fields from sparse data. However, most existing PINN formulations are deterministic and do not provide reliable quantification of epistemic uncertainty, which is critical for ill-posed problems such as data-driven Reynolds-averaged Navier-Stokes (RANS) modeling. In this work, we develop and systematically evaluate a set of probabilistic extensions of PINNs for uncertainty quantification in turbulence modeling. The proposed framework combines (i) Bayesian PINNs with Hamiltonian Monte Carlo sampling and a tempered multi-component likelihood, (ii) Monte Carlo dropout, and (iii) repulsive deep ensembles that enforce diversity in function space. Particular emphasis is placed on the role of ensemble diversity and likelihood tempering in improving uncertainty calibration for PDE-constrained inverse problems. The methods are assessed on a hierarchy of test cases, including the Van der Pol oscillator and turbulent flow past a circular cylinder at Reynolds numbers Re=3,900 (direct numerical simulation data) and Re = 10,000 (experimental particle image velocimetry data). The results demonstrate that Bayesian PINNs provide the most consistent uncertainty estimates across all inferred quantities, while function-space repulsive ensembles offer a computationally efficient approximation with competitive accuracy for primary flow variables. These findings provide quantitative insight into the trade-offs between accuracy, computational cost, and uncertainty calibration in physics-informed learning, and offer practical guidance for uncertainty quantification in data-driven turbulence modeling.
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All authors Khemraj Shukla, Zongren Zou, Theo Kaeufer, Michael Triantafyllou, George Em Karniadakis

Machine Learning · Cross-listed from physics.flu-dyn

FlowRefiner: Flow Matching-Based Iterative Refinement for 3D Turbulent Flow Simulation

Accurate autoregressive prediction of 3D turbulent flows remains challenging for neural PDE solvers, as small errors in fine-scale structures can accumulate rapidly over rollout. In this paper, we propose FlowRefiner, a flow matching-based iterative refinement framework for 3D turbulent flow simulation. The method replaces stochastic denoising refinement with deterministic ODE-based correction, uses a unified velocity-field regression objective across all refinement stages, and introduces a decoupled sigma schedule that fixes the noise range independently of refinement depth. These design choices yield stable and effective refinement in the small-noise regime. Experiments on large-scale 3D turbulence with rich multi-scale structures show that FlowRefiner achieves state-of-the-art autoregressive prediction accuracy and strong physical consistency. Although developed for turbulent flow simulation, the proposed framework is broadly applicable to iterative refinement problems in scientific modeling.
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All authors Yilong Dai, Yiming Sun, Yiheng Chen, Shengyu Chen, Xiaowei Jia, Runlong Yu

Machine Learning · Cross-listed from math.OC

Negative Momentum for Convex-Concave Optimization

This paper revisits momentum in the context of min-max optimization. Momentum is a celebrated mechanism for accelerating gradient dynamics in settings like convex minimization, but its direct use in min-max optimization makes gradient dynamics diverge. Surprisingly, Gidel et al. 2019 showed that negative momentum can help fix convergence. However, despite these promising initial results and progress since, the power of momentum remains unclear for min-max optimization in two key ways. (1) Generality: is global convergence possible for the foundational setting of convex-concave optimization? This is the direct analog of convex minimization and is a standard testing ground for min-max algorithms. (2) Fast convergence: is accelerated convergence possible for strongly-convex-strong-concave optimization (the only non-linear setting where global convergence is known)? Recent work has even argued that this is impossible. We answer both these questions in the affirmative. Together, these results put negative momentum on more equal footing with competitor algorithms, and show that negative momentum enables convergence significantly faster and more generally than was known possible.
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Machine Learning

SeekerGym: A Benchmark for Reliable Information Seeking

Despite their substantial successes, AI agents continue to face fundamental challenges in terms of trustworthiness. Consider deep research agents, tasked with searching for information relevant to a given topic-while AI agents can perform effective information retrieval, there is little guarantee regarding the completeness of this information. Gaps in retrieved information can leave biases that mislead users even if the information they are given is correct and relevant. We introduce SeekerGym, a benchmark designed to evaluate the completeness of information retrieved by AI agents. In addition, SeekerGym also measures how well agents quantify their uncertainty in the completeness of their information; if an agent fails to retrieve all relevant information, it is useful for it to at least quantify how much might be missing. At a high level, each task in SeekerGym is a document (e.g., a Wikipedia article), and the AI agent must issue queries to retrieve passages from that document. Intuitively, the document comprehensively covers a topic, so the ability to retrieve its sections directly measures completeness of information retrieval. In addition to Wikipedia, we also consider machine learning survey papers, where the goal is to retrieve relevant sections of a survey paper. We benchmark several models and algorithms; the best approaches retrieve 42.5% of passages on Wikipedia and 29.2% on ML Surveys, leaving substantial room for improvement.
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All authors Remy Kim, Minseung Lee, Shuo Li, Osbert Bastani

Machine Learning · Cross-listed from cs.AI

Local Inconsistency Resolution: The Interplay between Attention and Control in Probabilistic Models

We present a generic algorithm for learning and approximate inference with an intuitive epistemic interpretation: iteratively focus on a subset of the model and resolve inconsistencies using the parameters under control. This framework, which we call Local Inconsistency Resolution (LIR) is built upon Probabilistic Dependency Graphs (PDGs), which provide a flexible representational foundation capable of capturing inconsistent beliefs. We show how LIR unifies and generalizes a wide variety of important algorithms in the literature, including the Expectation-Maximization (EM) algorithm, belief propagation, adversarial training, GANs, and GFlowNets. In the last case, LIR actually suggests a more natural loss, which we demonstrate improves GFlowNet convergence. Each method can be recovered as a specific instance of LIR by choosing a procedure to direct focus (attention and control). We implement this algorithm for discrete PDGs and study its properties on synthetically generated PDGs, comparing its behavior to the global optimization semantics of the full PDG.
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All authors Oliver E. Richardson, Mandana Samiei, Mehran Shakerinava, Joseph D. Viviano, Abdessamad El Kabid, Ali Parviz, Yoshua Bengio

Machine Learning

BOIL: Learning Environment Personalized Information

Navigating complex environments poses challenges for multi-agent systems, requiring efficient extraction of insights from limited information. In this paper, we introduce the Blackbox Oracle Information Learning (BOIL) process, a scalable solution for extracting valuable insights from the environment structure. Leveraging the Pagerank algorithm and common information maximization, BOIL facilitates the extraction of information to guide long-term agent behavior applicable to problems such as coverage, patrolling, and stochastic reachability. Through experiments, we demonstrate the efficacy of BOIL in generating strategy distributions conducive to improved performance over extended time horizons, surpassing heuristic approaches in complex environments.
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Machine Learning · Cross-listed from physics.space-ph

Automated Classification of Plasma Regions at Mars Using Machine Learning

The plasma environment around Mars is highly variable because it is strongly influenced by the solar wind. Accurate identification of plasma regions around Mars is important for the community studying solar wind-Mars interactions, region-specific plasma processes, and atmospheric escape. In this study, we develop a machine-learning-based classifier to automatically identify three key plasma regions–solar wind, magnetosheath, and induced magnetosphere–using only ion omnidirectional energy spectra measured by the MAVEN Solar Wind Ion Analyzer (SWIA). Two neural network architectures are evaluated: a multilayer perceptron (MLP) and a convolutional neural network (CNN) that incorporates short temporal sequences. Our results show that the CNN can reliably distinguish the three plasma regions, whereas the MLP struggles to separate the solar wind and magnetosheath. Therefore, the CNN-based approach provides an efficient and accurate framework for large-scale plasma region identification at Mars and can be readily applied to future planetary missions.
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All authors Yilan Qin, Chuanfei Dong, Hongyang Zhou, Chi Zhang, Kaichun Xu, Jiawei Gao, Simin Shekarpaz, Xinmin Li, Liang Wang

Machine Learning · Cross-listed from stat.ME

A proposal for PU classification under Non-SCAR using clustering and logistic model

The present study aims to investigate a cluster cleaning algorithm that is both computationally simple and capable of solving the PU classification when the SCAR condition is unsatisfied. A secondary objective of this study is to determine the robustness of the LassoJoint method to perturbations of the SCAR condition. In the first step of our algorithm, we obtain cleaning labels from 2-means clustering. Subsequently, we perform logistic regression on the cleaned data, assigning positive labels from the cleaning algorithm with additional true positive observations. The remaining observations are assigned the negative label. The proposed algorithm is evaluated by comparing 11 real data sets from machine learning repositories and a synthetic set. The findings obtained from this study demonstrate the efficacy of the clustering algorithm in scenarios where the SCAR condition is violated and further underscore the moderate robustness of the LassoJoint algorithm in this context.
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Machine Learning

The Topological Trouble With Transformers

Transformers encode structure in sequences via an expanding contextual history. However, their purely feedforward architecture fundamentally limits dynamic state tracking. State tracking – the iterative updating of latent variables reflecting an evolving environment – involves inherently sequential dependencies that feedforward networks struggle to maintain. Consequently, feedforward models push evolving state representations deeper into their layer stack with each new input step, rendering information inaccessible in shallow layers and ultimately exhausting the model's depth. While this depth limit can be bypassed by dynamic depth models and by explicit or latent thinking that externalizes state representations, these solutions are computationally and memory inefficient. In this article, we argue that temporally extended cognition requires refocusing from explicit thought traces to implicit activation dynamics via recurrent architectures. We introduce a taxonomy of recurrent and continuous-thought transformer architectures, categorizing them by their recurrence axis (depth versus step) and their ratio of input tokens to recurrence steps. Finally, we outline promising research directions, including enhanced state-space models and coarse-grained recurrence, to better integrate state tracking into modern foundation models.
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Machine Learning · Cross-listed from cs.CV

Hybrid Multi-Dimensional MRI Prostate Cancer Detection via Hadamard Network-Based Bias Correction and Residual Networks

Magnetic Resonance Imaging (MRI) is vital for prostate cancer (PCa) diagnosis. While advanced techniques such as Hybrid Multi-dimensional MRI (HM-MRI) have enhanced diagnostic capabilities, the significant need remains for robust, automated Artificial Intelligence (AI)-based detection methods. In this study, we combine quantitative HM-MRI of tissue composition with an AI-based neural network. We propose the Hadamard-Bias Network plus ResNet18 (HBR-Net-18), a two-stage AI framework for PCa detection. In the first stage, a Hadamard U-Net-based algorithm suppresses intensity inhomogeneities (bias fields) across six parametric HM-MRI maps generated via a Physics-Informed Autoencoder (PIA). In the second stage, a Residual Network (ResNet-18) performs patch-level classification. The framework utilizes overlapping 11-by-11 patches, incorporating both 2D intra-slice and 3D inter-slice (adjacent-slice) information to improve spatial consistency. Our experimental results demonstrate that HB-Net achieves balanced sensitivity and specificity, significantly outperforming conventional radiomics-based approaches and baseline CNN models, highlighting its potential for clinical deployment.
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All authors Emadeldeen Hamdan, Gorkem Durak, Muhammed Enes Tasci, Abel Lorente Campos, Aritrick Chatterjee, Roger Engelmann, Gregory Karczma, Aytekin Oto, Ahmet Enis Cetin, Ulas Bagci