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Wednesday 24 June

Machine Learning

KG-TRACE: A Neuro-Symbolic Framework for Mechanistic Grounding in Antimicrobial Resistance Prediction

While WGS-based AMR prediction has reached high accuracy, existing models lack a mechanism to ground neural attributions in established biological pathways. We present KG-TRACE, a novel neuro-symbolic framework that integrates the WHO mutation knowledge graph (KG) as a structured biological constraint on a neural genomic model. Unlike existing methods that learn statistical patterns in isolation, KG-TRACE fuses genomic features and RotatE-based KG embeddings through a learned epistemic trust gate, dynamically weighting neural evidence against symbolic biological knowledge. Evaluated on the CRyPTIC M. tuberculosis cohort, KG-TRACE achieves an AUROC of 0.9760 for isoniazid, achieving competitive accuracy while its primary value lies in symbolic grounding, not predictive uplift. More importantly, we introduce the Biological Grounding Ratio (BGR), a dataset-level metric that quantifies alignment between neural attributions and established biology. Our framework achieves a 92.5% symbolic coverage of isoniazid-resistant predictions and effectively identifies MDR co-occurrence artifacts by issuing laboratory follow-up flags for 'UNCERTAIN' cases. We demonstrate that neuro-symbolic grounding provides a verifiable audit trail for clinicians, bridging the gap between predictive accuracy and clinical trust.
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All authors Naman Garg, Sarika Jain, Sourav Yadav, Bharat K. Bhargava, Ghanapriya Singh, Abhishek Srivastava, Parimal Kar

Machine Learning

Neural Architecture Search for Generative Adversarial Networks: A Comprehensive Review and Critical Analysis

Neural Architecture Search (NAS) has emerged as a pivotal technique in optimizing the design of Generative Adversarial Networks (GANs), automating the search for effective architectures while addressing the challenges inherent in manual design. This paper provides a comprehensive review of NAS methods applied to GANs, categorizing and comparing various approaches based on criteria such as search strategies, evaluation metrics, and performance outcomes. The review highlights the benefits of NAS in improving GAN performance, stability, and efficiency, while also identifying limitations and areas for future research. Key findings include the superiority of evolutionary algorithms and gradient-based methods in certain contexts, the importance of robust evaluation metrics beyond traditional scores like Inception Score (IS) and Fréchet Inception Distance (FID), and the need for diverse datasets in assessing GAN performance. By presenting a structured comparison of existing NAS-GAN techniques, this paper aims to guide researchers in developing more effective NAS methods and advancing the field of GANs.
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Machine Learning

Implementation of reinforcement learning in chemical reaction networks: application to phototaxis as curiosity-driven exploration

Living systems navigate environments using noisy and incomplete sensory signals. In unicellular algae, phototaxis is often modeled as a mechanistic run–tumble process driven by stimulus–response rules. However, such descriptions overlook how organisms actively sample their environment to reduce sensory ambiguity. From a minimal cognition perspective, we reframe this navigation as a subjective, information-driven sensorimotor process. To this end, we propose a framework linking a Partially Observable Markov Decision Process (POMDP) with biochemical reaction dynamics. Environmental variables are hidden, while the cell updates a minimal internal state from each observation through a memoryless Bayesian step. These internal dynamics balance orienting toward light with exploratory reorientation and can be implemented through Chemical-Reaction-Network Ordinary Differential Equations (CRN–ODEs). Our model includes a biophysical observation process for photoreception and a chemically computable polynomial bound on information gain. Using Inverse Reinforcement Learning (IRL) on 30 experimentally recorded Chlamydomonas trajectories, we infer the behavioral objective consistent with observed phototactic motion and benchmark the resulting dynamics with standard Stochastic Simulation Algorithm (SSA) baselines. Our model reproduces the empirical alignment-to-light distribution, comparable to objective SSA baselines on this dataset. Within this framework, run–tumble alternation emerges as an information-acquisition strategy: tumbling reorients the cell to sample new sensory configurations and resolve sensor ambiguity, demonstrating how intracellular biochemical networks can support adaptive information-seeking behavior in cellular navigation.
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Machine Learning

\chisao{}: A GPU-Native Parallel Optimizer for Multimodal Black-Box Functions via Convergence-Anticonvergence Oscillation

Finding all modes of a multimodal black-box function is a fundamental challenge in optimization, Bayesian inference, and scientific computing. Existing approaches – basin-hopping, CMA-ES, multistart gradient descent – operate sequentially and cannot exploit the massive parallelism of modern GPU hardware. We introduce \chisao{} (Convergence-Halt-Invert-Stick-And-Oscillate), a GPU-native population optimizer that runs an entire sample batch simultaneously and exploits a deliberate convergence-anticonvergence oscillation cycle to escape local traps while freezing confirmed modes. The structural move is asymmetric: samples that reach true peaks are frozen (“stuck”) and preserved, while the rest keep exploring via momentum-based anti-convergence and stochastically smoothed gradients. Adaptive reseeding via two complementary strategies (Repulse Monkey and Golden Rooster) maintains population diversity throughout. On all 42 functions of the Simon Fraser University optimization benchmark suite across dimensions $d \in \{2, 4, 8, 16, 32, 64\}$, \chisao{} achieves 100% mode recovery where all CPU baselines collapse at $d \geq 8$ on the hardest multimodal functions, at up to \textbf{$34\times$} speedup over basin-hopping on functions where all methods succeed (Michalewicz $d=64$) and up to \textbf{$39\times$} on unimodal functions (Rotated Hyper-Ellipsoid $d=64$, pure GPU dividend). All benchmarks evaluate the objective by value alone – gradients come from finite differences – so the reported speedups are a derivative-free worst case. Under substantial likelihood noise ($\sigma_{\mathrm{noise}}$ up to 1.0), mode detection remains 100% reliable. The algorithm is available as a standalone open-source Python package on PyPI.
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Machine Learning

RevengeBench: Reverse Engineering Code-Space Policies from Behavioral Experiments

For most of scientific history, researchers studying behavior could only infer hidden mechanisms from outward actions: an inverse problem that becomes more tractable when observation is augmented by targeted intervention. We pose a computational analogue: given only behavioral traces of an agent in a game environment, can a learner reconstruct the underlying decision program as executable code, and how much does this reconstruction improve with the ability to design controlled experiments? We introduce RevengeBench, a benchmark of 75 LLM generated, Elo-calibrated policies across five game environments, drawn from CodeClash tournament trajectories. The learner observes the hidden target policy play against sampled opponents and designs behavioral probes in the form of custom opponent policies that elicit informative behavior. It then submits an executable hypothesis, which is evaluated using continuous action-distance metrics. We further validate that recovered code carries informative signal in downstream player-versus-player tournaments. Across twelve frontier LLMs, recovery quality varies substantially (34 to 72% of initial distance closed), with reconstructed policies yielding measurable competitive advantage, particularly for weaker models that otherwise struggle to design effective counter-strategies. Our benchmark positions behavioral recovery of programmatic policies as a tractable inverse problem in code-space, opening a path to opponent modeling, policy interpretability, and the broader question of inferring latent mechanisms from observations.
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All authors Babak Rahmani, Sebastian Dziadzio, Joschka Strüber, Sergio Hernández-Gutiérrez, Matthias Bethge

Machine Learning

On-Policy Self-Distillation with Sampled Demonstrations Reduces Output Diversity

On-policy self-distillation achieves strong pass@1 accuracy by using a single model as both teacher and student, with the teacher conditioned on a correct demonstration to provide dense token-level feedback. We show that this could come at a hidden cost: rollout diversity decreases and pass@k curves flatten (i.e., generating more rollouts fails to improve accuracy). We trace this to compounding biases in the design of self-distillation with sampled demonstrations. The teacher scores each student rollout while conditioned on a sampled correct rollout, channeling its feedback through the model's own biases. We theoretically analyze the optimal self-distillation policy and show that it tilts the base distribution by a pointwise conditional mutual information score between the student's rollout and the correct rollout used as context. Unlike the ideal optimal on-policy reinforcement learning (RL), which preserves probability ratios among equally correct rollouts, self-distillation can amplify existing probability gaps, concentrating mass on already-dominant modes. On a controlled graph path-finding task and science question-answering benchmarks, self-distilled models match or exceed RL on average performance but exhibit substantially lower functional and semantic diversity, failing on out-of-distribution settings that require diverse strategies.
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Machine Learning

Neglected Free Lunch from Post-training: Progress Advantage for LLM Agents

Process reward models enable fine-grained, step-level evaluation of LLMs, yet building them for agentic settings remains prohibitively difficult: long-horizon interactions, irreversible actions, and stochastic environment feedback make both human annotation and Monte Carlo estimation infeasible at scale. In this work, we show that reinforcement learning (RL) post-training already provides the ingredients for effective step-level scoring, eliminating the need for dedicated reward model training altogether. Concretely, we derive an implicit advantage under a general stochastic Markov decision process, which we term progress advantage – log-probability ratio between the RL-trained policy and its reference policy exactly recovers the optimal advantage function. This formulation makes the resulting signal annotation-free, domain-agnostic, and available as a byproduct of the standard RL post-training pipeline. We validate the effectiveness of the progress advantage across three different applications: test-time scaling, uncertainty quantification, and failure attribution on five benchmarks and four model families. Across all settings, it consistently outperforms confidence-based baselines and, despite requiring no task-specific training, surpasses dedicated trained reward models. We complement these results with deeper analyses on characteristics of progress advantage, offering practical guidance for adoption in real-world agentic systems.
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All authors Changdae Oh, Wendi Li, Seongheon Park, Samuel Yeh, Tanwi Mallick, Sharon Li

Machine Learning · Cross-listed from cs.CL

Same Evidence, Different Answer: Auditing Order Sensitivity in Multimodal Large Language Models

Standard benchmarks for multimodal large language models (MLLMs) score each item on one canonical ordering and miss whether order-irrelevant shuffling changes the answer, a baseline reliability property called for by emerging AI evaluation guidelines. We introduce Facet-Probe, a five-facet audit (option, evidence-chunk, document-rank, image-set, and mixed-modality ordering) of 18 frontier and open-weight MLLMs. A Bayesian item-response model separates ordering noise from per-facet bias, and a same-ordering control estimates the decoder-stochastic floor for observed flips. We find that none of the 18 MLLMs we audit are order-invariant: screened per-facet panel-mean flip rates span 24-50%. A Gemini same-ordering control at temperature 0 estimates a substantial ordering excess over a same-input decoder-noise floor in verified cells. Capability predicts but does not eliminate flips; the best model still flips on 13.4% of trials. In our Gemini mitigation tests, training-free prompt changes are modality-conditional and do not transfer from text to visual reasoning. These results suggest that prompt-level mitigation alone is unlikely to provide general order robustness, motivating future work on training-time and architectural approaches. We propose cross-ordering flip rate as a standard reporting axis for MLLMs.
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Machine Learning

Model Forensics: Investigating Whether Concerning Behavior Reflects Misalignment

A central goal of safety research is determining whether a model is misaligned. Prior work has largely focused on detecting concerning behavior. But behavior alone does not establish misalignment: a concerning action can arise from benign causes such as confusion. This motivates model forensics: investigating whether the action was driven by malign intent. In this paper, we propose a baseline protocol for model forensics consisting of two steps, iterated as needed. First, we read the chain of thought (CoT) to generate hypotheses about what drives model behavior. Second, we make edits to the prompt or environment to test these hypotheses. While the CoT is not always faithful, it is a rich source of unsupervised insight that can guide the collection of more rigorous evidence. To evaluate our protocol, we create a suite of six agentic environments where models exhibit concerning behavior, and apply it to each. We establish that Kimi K2 Thinking takes shortcuts due to a genuine disposition towards low-effort actions, by showing this hypothesis successfully predicts its behavior. Through counterfactual experiments, we show DeepSeek R1 deceives out of a desire to be consistent with a previous instance of itself. Our methods nonetheless leave significant room for refinement. For example, when we test whether Kimi K2 Thinking believes it is violating user intent, we find no evidence of such a belief, but without positive controls we cannot confirm our tests would detect it. Overall, we find our simple protocol provides a strong baseline that we hope future work will improve upon. More broadly, our work is a concrete step in developing the growing field of model forensics.
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All authors Aditya Singh, Gerson Kroiz, Senthooran Rajamanoharan, Neel Nanda

Machine Learning · Cross-listed from cs.AI

The Unfireable Safety Kernel: Execution-Time AI Alignment for AI Agents and Other Escapable AI Systems

AI agents are granted access to tools, APIs, and other infrastructure, making them active principals in those systems. The dominant approach places controls inside the agent's own runtime: system prompts, output filters, and guardrail libraries. Any control in the agent's address space is reachable by inputs that influence it; this generalizes to any AI system with sufficient reach into its own runtime, a class we term escapable AI systems. We identify four properties that an authorization mechanism must satisfy for architectural control rather than for cooperative requests: process separation, pre-action enforcement on a structurally only path, fail-closed at both the request and system levels, and externalized signed evidence verifiable outside the controlled system's trust boundary. We position this layer as execution-time AI alignment, complementing training-time alignment (RLHF, Constitutional AI) and inference-time alignment. We present the Unfireable Safety Kernel, a Rust reference implementation realizing all four. Its fail-closed invariant is machine-checked at two levels: an SMT theorem (Z3) and an exhaustive bounded-model-checking proof of the production decision function (Kani, 4/4 harnesses). A Python-to-Rust migration was gated on byte-equivalence (1000/1000 fixtures; 17/17 adversarial classes). We evaluate the kernel governing a live, escapable AI system, a deterministic, self-improving world model, against an escape-seeking adversary driving its real self-modification seam: across 1,000 self-modifications, all 704 attempts on the safety-critical core are refused, with no escape; a further 300, under the operator kill switch, are also refused. A separate campaign of 6,240 authorization round-trips had no successful bypass. Against 3 contemporary systems claiming the agent control plane, the agent invokes control; here, it lacks that choice.
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Machine Learning · Cross-listed from stat.ML

When Does Synthetic Data Augmentation Improve Score-Based Imbalanced Classification?

Synthetic data augmentation is widely used to mitigate class imbalance, but its theoretical effects on score-based classification remain poorly understood. This paper develops a framework for characterizing when synthetic minority augmentation can improve threshold-integrated and threshold-optimized metrics, including AUROC, AUPRC, best-threshold balanced accuracy, and best-threshold \(\F_1\) score. We separate the effect of augmentation into two components: a change in effective class weighting and a discrepancy between the synthetic and true minority distributions. Under well-specified score models, the raw estimator already targets the likelihood-ratio ordering, which is population-optimal for the metrics considered. Consequently, augmentation cannot provide a fundamental population-level improvement beyond possible finite-sample variance reduction, and may introduce additional bias through synthetic distributional error. We further establish minimax lower bounds showing that the raw estimator already achieves the optimal metric-regret rate in the well-specified regime. Under misspecification, however, augmentation can play a qualitatively different role: by changing the effective class balance, it can alter the restricted-class projection and correct ranking errors induced by the raw imbalanced objective. We provide explicit improvement bounds quantifying the roles of approximation error, finite-sample estimation error, and synthetic distributional error. Simulation studies corroborate the theory, demonstrating limited gains under well-specification and nontrivial but nonmonotone improvements under misspecification.
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Machine Learning

Natural Ungrokking: Asymmetric Control of Which Rules Survive Pretraining

Midway through an ordinary pretraining run, a small language model learns the pronoun-gender rule: cued with a girl's name ("Sue cried because"), it resolves the next pronoun to she, generalizing to held-out probes (0.94 by step 925). By step 3,500 the same model scores near zero on the same probes, although the rule's evidence is still in the training data. We call this within-run reversal natural ungrokking: the corpus decides, with no trace in the loss curve, which learned rules a model keeps. Which rules survive is predictable from one corpus statistic: how often the training stream shows the rule winning. Across un-intervened runs (two corpora, three budgets, three seeds), support frequency decides a rule's fate; the data-to-parameter ratio only modulates how deeply a doomed rule falls. The same emerge-then-collapse dynamics appear in public Pythia checkpoints, collapse depth ordered by model scale as predicted. The forgetting is a displacement: a competing surface pattern out-competes the rule, and the log-probability margin between them crosses zero within 100 training steps of the behavioral collapse. Control over this fate is asymmetric: the same edit that destroys a rule on demand cannot restore it. Flipping support to counter-evidence in place kills the rule with monotone dose-response in two unrelated rules; but injecting support back, even to 450 times the level that naturally sustains it, buys no recovery. Every confirmatory threshold and prediction was pre-registered before the data it governed was read.
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Machine Learning · Cross-listed from stat.ML

FedReLa: Imbalanced Federated Learning via Re-Labeling

Federated learning has emerged as the foremost approach for decentralized model training with privacy preservation. The global class imbalance and cross-client data heterogeneity naturally coexist, and the mismatch between local and global imbalances exacerbates the performance degradation of the aggregated model. The agnosticism of global class distribution poses significant challenges for data-level methods, especially under extreme conditions with severe class absence across clients. In this paper, we propose FedReLa, a novel data-level approach that tackles the coexistence of data heterogeneity and class imbalance in federated learning. By re-labeling samples with a feature-dependent label re-allocator, FedReLa corrects biased global decision boundaries without requiring knowledge of the global class distribution. This modular, model-agnostic approach can be integrated with algorithmic methods to deliver consistent improvements without additional communication overhead. Through extensive experiments, our method significantly improves the accuracy of minority classes and the overall accuracy on stepwise-imbalanced and long-tailed datasets, outperforming the previous state of the art.
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All authors Guangzheng Hu, Patricia Menéndez, Feng Liu, Mingming Gong, Guanghui Wang, Liuhua Peng

Machine Learning · Cross-listed from cs.CL

Why Multi-Step Tool-Use Reinforcement Learning Collapses and How Supervisory Signals Fix It

Tool use enables large language models (LLMs) to perform complex tasks, and recent agentic reinforcement learning (RL) methods show promise for enhancing model capabilities. However, RL alone often leads to instability or limited gains in tool-use tasks. In our experiments, some models exhibit catastrophic collapse, where performance abruptly drops and tool-invocation structures fail. The analysis reveals that these failures stem from unexpected probability spikes in specific control tokens, disrupting structured execution, yet the underlying tool-use capability remains intact, merely obscured by specific formats. To address this, we systematically investigate a diverse set of supervisory signals, including off-policy supervision, hint-based guidance, erroneous example supervision, and others, applied under both synchronous and interleaved training schemes. We find that interleaving supervised fine-tuning (SFT) with RL substantially improves stability, but exhibits degraded performance under format and content out-of-distribution (OOD) evaluation. We also analyze the impact of learning rates and generalization across settings. These results highlight the importance of understanding RL failures and demonstrate how diverse supervisory signals can guide exploratory learning, enabling robust training of LLMs for complex, multi-step tool-use tasks. Our Code is available at https://github.com/hypasd-art/Tool-RL-Box.
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All authors Yupu Hao, Zhuoran Jin, Huanxuan Liao, Kang Liu, Jun Zhao

Machine Learning

Is Variational Monte Carlo Robust? Sharp Moment Thresholds and Heavy-tailed Stochastic Optimization

Variational Monte Carlo (VMC) is a central algorithm in electronic structure theory and has gained renewed importance through modern neural-network ansätze such as FermiNet. At its core, VMC seeks ground states by minimizing the Rayleigh quotient by stochastic optimization. In this work, we show that the resulting stochastic optimization problem is intrinsically governed by the nodal geometry of the underlying wave function. More precisely, we establish that properties of the nodal set determine the integrability of the local energy and gradient estimators that drive VMC. For broad and practically relevant ansatz classes, including Slater-Jastrow wave functions with variable-exponent Slater-type orbitals, we prove that these estimators are generically heavy-tailed and fail to admit higher moments. At the same time, for general analytic ansätze, we prove weak moment bounds for the relevant estimators and identify precise low-moment regimes, showing how generic and degenerate nodal structures lead to different integrability thresholds. Building on this analysis, we introduce a new robust variant of VMC $\unicode{x2013}$ coined PS-Clip-VMC $\unicode{x2013}$ which is based on clipping both the local energies and the per-sample gradients. We prove that PS-Clip-VMC converges both in expectation and with high probability in the weak moment regime of VMC. The robustness of our method is confirmed experimentally by training FermiNet on atoms with up to 18 electrons.
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Machine Learning

Hierarchical Reinforcement Learning for Neural Network Compression (HiReLC): Pruning and Quantization

We present HiReLC, a hierarchical ensemble-reinforcement learning framework for automated joint quantization and structured pruning of deep neural networks. The framework decomposes the compression search across two levels of abstraction: low-level agents (LLAs) operate independently per block, selecting per-kernel configurations over a multi-discrete action space spanning bitwidth, pruning keep-ratio, quantization type, and granularity, while high-level agents (HLAs) coordinate global budget allocation via ensemble voting guided by Fisher Information-based sensitivity estimates. To mitigate the computational cost of policy evaluation, an iterative active learning loop interleaves surrogate-guided RL optimization with post-compression fine-tuning, using a lightweight MLP surrogate to amortize expensive evaluations and a logit-MSE proxy during cold-start. The surrogate is used for reward shaping rather than as a replacement for final post-compression evaluation. The controller is architecture-agnostic by design, with a modular layer abstraction decoupling the RL environment from the underlying network topology. Experiments across Vision Transformer and CNN benchmarks demonstrate effective parameter-storage compression ratios of 5.99 - 6.72$\times$ with a 3.83 % gain in one setting and 0.55 - 5.62 % accuracy drops elsewhere, supporting hierarchical policy decomposition and sensitivity-aware guidance as practical design choices for joint neural network compression.
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All authors Kamar Hibatallah Baghdadi, Kawther Guoual Belhamidi, Sara Belhadj, Aissa Boulmerka, Nadir Farhi

Machine Learning · Cross-listed from cs.AI

Autodata: An agentic data scientist to create high quality synthetic data

We introduce Autodata, a general method that enables AI agents to act as data scientists who build high quality training and evaluation data. We show how to train (meta-optimize) such a data scientist agent, so that it learns to create even stronger data. We describe the overall formulation, and a specific practical implementation, Agentic Self-Instruct. We conduct experiments on computer science research tasks, legal reasoning tasks and reasoning with mathematical objects, where we obtain improved results compared to classical synthetic dataset creation methods. Further, meta-optimizing the data scientist agent itself delivers an even larger performance uplift. Agentic data creation provides a way to convert increased inference compute into higher quality model training. Overall, we believe this direction has the potential to change the way we build AI data.
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All authors Ilia Kulikov, Chenxi Whitehouse, Tianhao Wu, Yixin Nie, Swarnadeep Saha, Eryk Helenowski, Weizhe Yuan, Olga Golovneva, Jack Lanchantin, Yoram Bachrach, Jakob Foerster, Xian Li, Han Fang, Sainbayar Sukhbaatar, Jason Weston

Machine Learning · Cross-listed from cs.CV

Taxonomy-aware deep learning for hierarchical marine species classification in underwater imagery

Automated classification of marine species from underwater imagery is essential for scalable ocean biodiversity monitoring and conservation policy. Existing approaches struggle with severe domain shift across collection platforms, fine-grained visual similarity between closely related species, and uneven annotation granularity, where many specimens can only be identified to genus or a coarser taxonomic rank. We present a taxonomy-aware deep learning framework that aligns both the training loss and the inference rule with the hierarchical structure of biological classification, combining a taxonomy-weighted loss, minimum-risk Bayesian inference, multi-scale feature encoding, and independent per-rank classification heads. Evaluated on the FathomNet 2025 dataset1 (79 marine classes across seven taxonomic ranks), the system achieves a mean taxonomic distance of 1.581, within 3% of the 1st-place solution (1.535), with the largest gains from metric-aligned inference and simple, decoupled components that generalize better than learned dependencies under distribution shift.
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Machine Learning · Cross-listed from cs.CL

Weave of Formal Thought

Large language models attain remarkable surface fluency on code, yet they do not formally guarantee the syntactic validity of their output, nor do they typically leverage the hierarchical structure that defines the target language. While existing constrained-decoding frameworks offer a solution to the former, they predominantly operate under rigid assumptions that preclude critical lexical mechanisms relied upon by modern parsers (e.g., Pythonic indentation). In this work, we present a formal engine and constrained decoder that is sound and complete with respect to the full Tree-sitter specification by augmenting generalized LR (GLR) parsing with a novel speculative-lexing construction that maintains concurrent lexer-state hypotheses synchronized with the GLR graph-structured stack. We also introduce Weave of Formal Thought (WoFT), a latent-variable fine-tuning method that trains the language model to interleave non-terminal grammar symbols directly into the generation process. Utilizing the reweighted wake-sleep (RWS) algorithm to optimize the importance-weighted evidence lower bound (IW-ELBO) of the surface text, the model learns to selectively retain formal derivations as an adaptive structural scratchpad. Across ten widely used programming languages spanning multiple paradigms, fine-tuning StarCoder2-3B with WoFT consistently outperforms text-only SFT baselines, achieving up to a 14.9% relative reduction in surface-token cross-entropy, and demonstrating that discretionary latent syntax recovers critical structural information that flat autoregressive training discards. Our code and implementation are publicly available at https://github.com/alexbouayad/formal.
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Machine Learning

The Inference-Compute Frontier for Limit Order Book Prediction

We identify an empirical inference-compute frontier for limit order book prediction on FI-2010. A power law fitted to low- and mid-compute models extrapolates to an excluded MLPLOB-style mixer family whose work is $56$–$2{,}515$ times the largest budget in the corresponding fit. Across nine folds and five horizons, pooled $R^2$ is $0.934$ on the realized target frontier, with 59% lower RMSE than constant endpoint extrapolation, and $0.731$ on all excluded operating points. Measured latency gives a weaker relationship and reorders model families. We therefore design FastBiNLOB to pack computation into dense temporal and feature mixing. H120 exceeds the published state-of-the-art macro-F1 on two of four horizons in every one of five seeds. Under our CPU/MPS protocol, H96 reduces median latency by 23.6% relative to the W128 MLPLOB reference, and H120 by 60.2% relative to a TLOB-inspired dual-axis attention reference.
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Machine Learning · Cross-listed from cs.AI

InvestPhilBench: A Multi-Layer Benchmark for Evaluating Large Language Model Procedural Reasoning in Expert Investment Philosophy

Large language models are increasingly deployed as investment research assistants, yet no benchmark tests whether they can accurately reconstruct and apply the specific procedural decision frameworks of expert investors. We introduce InvestPhilBench, a multi-layer benchmark spanning eight cognitive tiers, from principle identification (L1) to novel framework extrapolation (L8). The v0.6 release comprises 118 primary-source-verified principle cards, 25 decision-framework cards with explicit topology metadata, and 243 QA questions (197 dev / 46 held-out test). For reproducible scoring at scale we introduce the Benchmark Automated Scoring Pipeline (BASP), five algorithmic metrics, the Failure Mode Detection Protocol (FMDP) covering six failure modes, and Gate Reconstruction Accuracy (GRA), a per-gate metric for questions with gold reasoning programs. This release is primarily a benchmark-and-methodology contribution: its empirical study – a four-model sanity wave on the 188-question development split (closed-book) – is deliberately preliminary and stress-tests the metric design rather than ranking models. The wave shows a sharp provider-tier split (BASP 0.906 vs. 0.438), though these mixed-judge numbers are confounded upper bounds. The central methodological finding survives the caveat: the BASP composite saturates at the frontier (Claude L4 = 0.932) while GRA still exposes a procedural deficit (frontier L4 GRA ~0.77, L7 GRA 0.57-0.62) – composite scoring rewards fluent prose and hides the procedural gap. On a 100-item expert-annotated gold set, the automated BASP composite tracks the human reference at Pearson r = 0.72 (MAE = 0.10). v0.6 also implements a unified judge and true model-in-the-loop retrieval/oracle conditions; the de-confounded multi-model leaderboard and full three-condition run are v1.0 deliverables.
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Machine Learning · Cross-listed from cs.MA

Multi-Agent Goal Recognition with Team- and Goal-Conditioned Reinforcement Learning and Factorized Branch-and-Bound

Multi-agent goal recognition asks an observer to jointly infer which agents act together and what each team is trying to achieve, so the hypothesis space grows combinatorially with the number of team partitions and goals per team. Real applications such as drone surveillance and collaborative robotics expose only the agents' trajectory, which forces the observer to rank team-goal hypotheses from behavior alone. Multi-Agent Goal Recognition with Branch-and-Bound (MAGR-BB) addresses this setting with a shared team- and goal-conditioned policy used as the scoring model inside a factorized branch-and-bound search. On a controlled multi-agent Blocksworld benchmark, MAGR-BB returns the same top-ranked hypothesis as exhaustive search throughout the trajectory while cutting hypothesis materialization by orders of magnitude and reducing cumulative recognition runtime substantially.
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Machine Learning

Tensorion: A Tensor-Aware Generalization of the Muon Optimizer

Common first-order optimizers, such as Adam, implicitly treat each parameter block as an unstructured vector, which disregards the multilinear weight structure present in many modern machine learning models. Recent work has shown that exploiting matrix structure can improve optimization dynamics. A notable example is Muon, which performs steepest descent under the spectral norm constraint. We take the next step and introduce Tensorion, a tensor-aware optimizer that extends Muon's constrained optimization perspective from matrices to higher-order tensors. Tensorion is built around a linear minimization oracle (LMO) over a tensor norm ball. The norm is carefully chosen to balance two objectives: tightly bounding the tensor spectral norm, while still keeping the LMO tractable. This LMO becomes computable because it reduces to operations on adaptively selected unfolding matrices. Notably, when restricted to order-2 tensors (i.e., matrices), Tensorion recovers Muon exactly. Experiments on tensor-based computer vision problems suggest that Tensorion can offer improved convergence behavior and more stable gradient updates compared with Adam-based and existing tensor-aware baselines in the evaluated settings.
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All authors Vladimir Bogachev, Vladimir Aletov, Alexander Molozhavenko, Sergei Kudriashov, Maxim Rakhuba

Machine Learning

Improving Neural Network Training by Decoupling the Magnitude and Direction of Weight Vectors

Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object. Yet every weight matrix carries two distinct quantities – a magnitude and a direction – and all optimizers stepping in the matrix as a whole couple their dynamics: the directional change from an update depends on the current magnitude, while the magnitude drifts as a byproduct of learning the direction. Then, neither is directly governed by the learning rate. Typical training therefore leans on surrounding recipes such as weight decay and warmup to keep learning stable at scale, though these regulate the coupling only indirectly. Other recent methods instead constrain the weight to a fixed-norm sphere, but add no learnable magnitude, leaving scale control to normalization layers alone. We propose Magnitude–Direction (MD) Decoupling, an optimizer modification that factorizes each weight into a fixed-norm direction on a hypersphere and learnable per-row and per-column magnitude gains, updated at separate learning rates, all while the model still sees a single fused weight tensor. The method is agnostic to the base optimizer and removes the need for weight decay and warmup. Across both Adam and Muon, MD Decoupling improves on well-tuned baselines, transfers the optimal LR across model width without retuning, and continues to help at scale on large Mixture-of-Experts (MoE) models. Treating magnitude and direction as separately controlled quantities thus yields more predictable training dynamics and a simple, broadly applicable improvement to modern optimizers.
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All authors Alexander Hägele, Alejandro Hernández-Cano, Atli Kosson, Martin Jaggi

Machine Learning · Cross-listed from cs.AI

WinDOM: Self-Family Distillation for Small-Model GUI Grounding

Small ($\sim$2B) GUI-grounding agents are attractive for on-device deployment, accessibility tooling, and low-cost iteration, but at this scale they face two open recipe questions: how to obtain bounding-box training data without expensive human annotation, and how to combine supervised fine-tuning with reinforcement learning. We address both, with the explicit goal of pushing small-model performance rather than scaling up. WinDOM is a $54{,}425$-record grounding corpus harvested by driving an open-source Windows 11 web reimplementation under headless Playwright, with bounding boxes read directly off the DOM and no OCR or human annotation. Self-Family Distillation (SFD) is a single rejection-sampling cold-start parameterised only by the teacher choice: either an EMA of the student (no external model) or a frozen larger same-family teacher. We then treat the saturation depth of the SFD cold-start as an explicit GRPO hyperparameter. On a Qwen3.5-2B student, the under-saturated cold-start is a better GRPO initialiser than the converged one: SFD-4B with Early-init RL gains $+5.4$ OOD-mean ($+3.5$ ScreenSpot-Pro, $+7.0$ OSWorld-G, $+5.8$ ScreenSpot-V2) over the base. The same-size EMA mode lands within roughly one OOD-mean point of the cross-size $4$B variant ($65.2$ vs $66.3$) without an external teacher.
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All authors Chengheng Li-Chen, Zhiqian Zhou, Hao Chen, Nicolas Chauvin

Machine Learning · Cross-listed from cs.CV

Pulmonary Embolism Risk Stratification from CTPA and Medical Records: Vascular Graphs Are Not All You Need

Risk stratification for pulmonary embolism (PE) is critical for clinical decision-making. Stratification guidelines are based on patient medical records, parameters measured from computed tomography pulmonary angiography (CTPA), and blood tests. However, blood tests are often missing in routine practice. This work studies whether state-of-the-art models can accurately classify risk stratification from only medical records and biomarkers extracted from CTPA images. We benchmark different approaches to combine medical records and cardiac biomarkers with rich pulmonary vascular information; we add vascular biomarkers to tabular models and apply graph neural networks (GNNs) on the vascular tree's intrinsic graph representation. We use a private dataset (n=353) with uniquely complete data for PE risk stratification. Our results show that, among global features, medical records and cardiac biomarkers are the most significant predictors, while vascular biomarkers do not further improve stratification. Even more surprising, even GNNs on vascular graphs fail to outperform strong tabular baseline on global features. We consider hypotheses, on both models and data, that could explain this suboptimal performance. Our investigation suggests that, counter-intuitively, vascular graphs might hold no discriminative information for PE risk stratification. Code is available from https://github.com/creatis-myriad/GENESIS.
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All authors Nathan Painchaud, Tristan Habémont, Morgane des Ligneris, Allan Serva, Pierre Croisille, Laurent Bertoletti, Thomas Lampert, Johannes F. Lutzeyer, Odyssée Merveille

2606.25956 · 24 Jun · 8 1/2 pages + 2 pages of references. Accepted for MICCAI 2026. This preprint has not undergone peer review or any post-submission improvements or corrections. The Version of Record of this contribution is published in, and available online at, the external reference provided below. Changes from v1: Fixed author list formatting and funding information

Machine Learning · Cross-listed from stat.ME

Knowledge Cascade: Reverse Knowledge Distillation on Nonparametric Multivariate Functional Estimation

As machine learning models and datasets continue to grow, developing complex models has become increasingly computationally demanding. Knowledge distillation reduces deployment cost by compressing a large, well-trained teacher model into a compact student model, but it does not address settings where constructing the teacher itself is the bottleneck. Motivated by this challenge, we introduce Knowledge Cascade (KCas), a reverse knowledge distillation framework that uses information from a small, inexpensive student model to guide the development of a more complex teacher model. Although this direction is counterintuitive because the teacher typically has greater representational capacity, we show that student-to-teacher transfer can be principled when supported by statistical scaling relationships. We first develop KCas for nonparametric multivariate functional estimation in reproducing kernel Hilbert spaces via smoothing splines, where selecting multiple smoothing parameters is a major computational bottleneck. KCas transfers student-selected smoothing parameters to the full-sample regime through asymptotic scaling laws, substantially reducing computational cost for high-dimensional and large-scale datasets while retaining theoretical guarantees. Beyond smoothing splines, we illustrate the same principle through kernel density estimation and deep learning hyperparameter transfer. Simulations and real-data experiments show that KCas achieves substantial computational savings while maintaining strong statistical performance, and can sometimes outperform the corresponding full-sample procedure.
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All authors Luyang Fang, Haoran Lu, Yongkai Chen, Wenxuan Zhong, Ping Ma

Machine Learning

$\text{DT}^2$: Decision-Targeted Digital Twins

A digital twin (DT) is a virtual model of a real-world system that can assist decision-making by simulating scenarios induced by different policies. However, typical machine learning-based DTs do not optimise for this use case. We prove that, when model capacity is limited, training DTs to minimise one-step transition errors can produce suboptimal models for ranking sets of policies according to a reward function. We further show that this holds empirically, even with expressive model classes. To address this, we introduce $\text{DT}^2$, a decision-targeted DT training paradigm. Firstly, $\text{DT}^2$ uses fitted Q-evaluation to estimate values of candidate policies from offline data. A DT is then trained to generate rollouts that preserve pairwise policy rankings derived from these proxy ground-truth values with an architecture-agnostic loss function. We empirically demonstrate the efficacy of our method across a range of settings and architectures. $\text{DT}^2$ consistently improves policy ranking and reduces decision regret during policy selection relative to conventional DT training, both for policies used during training and for unseen policies, while maintaining a good level of raw simulation fidelity.
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Machine Learning

Variational Autoencoder Layer

Variational Autoencoders (VAEs) belong to a family of autoencoders with probabilistic properties, making them well suited for generating data by producing a smooth and continuous latent space. Despite being introduced over a decade ago, the method continues to be widely adopted in both research and industry for diverse applications. While VAEs are typically used as standalone models, this paper introduces a novel approach to integrate them as a neural network layer. Furthermore, a new training strategy is proposed for models incorporating these layers, and their performance is thoroughly analyzed.
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Machine Learning · Cross-listed from cs.RO

A 3D-Printable Dataset for Fair Testing and Comparisons of Tactile Sensors

Existing texture datasets for tactile sensing primarily consist of sensor readings from a specific sensor interacting with available surfaces/objects rather than describing the textures themselves, limiting fair comparison between tactile sensors and hindering reproducible research. In this work, we introduce a 3D-printable dataset of mathematically defined textures designed to be fabricated reliably across different printers and filament types. The dataset consists of six parametrically generated surface patterns derived from combinations of sine-wave and Fourier-based functions, giving controlled variation in spatial frequency, amplitude, and directional structure. We evaluate the reproducibility of these textures across three popular 3D printers and multiple filament types by measuring variance in images captured using an optical TacTip sensor under controlled contact conditions. Our results show that print quality, particularly peak sharpness and stringing, affects tactile variance, with higher-end printers producing significantly more consistent signatures. Classification experiments using neural networks and PCA-based models further demonstrate that high-quality prints support strong within-printer generalisation, while cross-printer generalisation remains challenging due to geometric inconsistencies. This work establishes the first openly available, physically reproducible 3D-printed texture benchmark, providing a foundation for fair comparison of tactile sensors.
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All authors Dexter R. Shepherd, Nicolas Herzig, Phil Husbands, Andrew Philippides, Chris Johnson, William Kimbell