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Thursday 1 October

Machine Learning

Clock Diffusion: Efficient Semi-Autoregressive Continuous Diffusion Language Models

Recent works on continuous diffusion for discrete data have demonstrated performance on par with comparable discrete diffusion models. However, these continuous counterparts lack key features that are essential to practical use as language models, namely variable-length generation and support for a key-value cache, and they still lag behind the frontier of autoregressive and discrete diffusion quality. In this work, we address these limitations. We do so by introducing a model parameterization that uses position-dependent noise schedules to define semi-autoregressive (SAR) continuous diffusion language models (DLMs). Together with efficient training and sampling algorithms, we call this framework Clock Diffusion, and we present two special cases of our method: block and sliding window generation. We then define ClockDLMs, a family of Gaussian DLMs based on sliding window Clock Diffusion that attain state-of-the-art diffusion likelihood bounds on OpenWebText, even beating the performant block SAR discrete diffusion models. ClockDLMs trained on TinyGSM also substantially outperform continuous baselines on the GSM8K benchmark and match and exceed comparable SAR discrete diffusion models. Finally, building on our parameterization, we propose more efficient samplers that we dub Cache Grab, which adapt techniques from accelerated inference in discrete diffusion, such as committing tokens whose probabilities exceed a confidence threshold and self-speculative decoding, further improving our models' quality and efficiency.
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All authors Yair Schiff, Omer Belhasin, Roy Uziel, Matan Rusanovsky, Ran Zilberstein, Marianne Arriola, Gilad Turok, Guanghan Wang, Volodymyr Kuleshov, Michael Elad

Machine Learning

Cross-Benchmark Transfer from RL on Agentic Coding Tasks

Coding agents often fail in the last mile: they build most of a feature but drop a requirement, test only the cases their implementation already handles, break behavior that was supposed to stay intact, or validate against an unchecked assumption. We ask whether reinforcement learning (RL) on expert-built agentic coding tasks closes this gap, and whether what the agent learns transfers beyond the training distribution. We post-train Kimi K2.7 Code, a 1T-parameter (32B active) open-weight mixture-of-experts model, with RL alone on 1,700 tasks: 1,000 repository tasks graded by hidden fail-to-pass tests and by pass-to-pass tests of existing behavior, and 700 terminal tasks graded by expert-written hidden verifiers. The reward is the fraction of target checks passed and drops to zero if any pass-to-pass test fails. One epoch of GSPO on a rank-32 LoRA adapter improves pass@1 on each of the six external benchmarks we evaluated, across three agent harnesses: SWE-Bench Pro (60.1 to 64.8), DeepSWE (31.0 to 43.4), Terminal-Bench 2.1 (67.4 to 82.0), Terminal-Bench 3 (1.4 to 12.1), Terminal-Bench 4 (0.0 to 7.6), and SWE-Marathon (5.0 to 25.0). Pooled over the five independent task sets (Terminal-Bench 4 revises Terminal-Bench 3), the improvement is significant (p < 0.001), and it remains significant on the three sets released after the training data was collected (p = 0.004); the model also improves under both harnesses never used in training. Median trajectories on DeepSWE and Terminal-Bench 3 are 24-35% shorter in agent steps. The base model's failed DeepSWE runs are mostly near-misses, and on the tasks the trained model newly solves, paired trajectories show it avoiding each of the four failure modes above.
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Machine Learning

Match the Distribution, Not the Compute: Post-Training Multi-Token Prediction Heads

Multi-token prediction (MTP) improves the throughput of autoregressive generation by enabling the language model to draft multiple next tokens per forward pass, while a verification step over draft tokens ensures that token distribution of the backbone is preserved. Every open MTP-family release (MiMo-7B, DeepSeek-V3, Qwen3) trains its heads jointly with the backbone over the full pretraining run of tens of trillions of tokens, thus setting the drafter quality at pretraining time. We ask whether a lightweight post-training pass on target-generated chain-of-thought is enough to reach the same expected throughput speedup on a frozen reasoning model, and study how a serving-time system built on such a checkpoint can be optimized. We present three findings. 1) On a frozen Qwen3-8B with $K{=}3$ chained MTP heads, we show that a post-training recipe with plain cross-entropy on $\approx\!2.5$B tokens reaches or exceeds the expected speedup of jointly trained MiMo-7B on math, coding and knowledge benchmarks. Our post-training recipe utilizes $10^3$-$10^4\times$ less MTP-training tokens as compared with joint pre-training of MiMO-7B MTP baseline. 2) We propose a chain-aware relaxation of draft token verification rule that allows a bounded drift from backbone language model token distribution. We show that this relaxation lifts expected speedups by $+12$ to $+16\%$ per benchmark while preserving task accuracy. 3) We propose an adaptive controller that dynamically chooses the number of MTP heads to be engaged at inference time and demonstrate recovery of upto $11$–$14\%$ loss in speedup using fixed maximum MTP draft length.
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All authors Prachi Badarayani, Aidan Jay, Chenghui Zhou, Dayquan Julienne, Yuan Gao, Tianwei Chen, George Zerveas, Ishmam Zabir, Xiren Zhou, Chris Quirk, Xia Song

Machine Learning

Rethinking Data Augmentation under Covariate Shift: Invariant-Guided Diffusion and Prototype Reweighting

In many industrial applications, 1) tabular data is scarce and imbalanced and thus requires synthetic expansion; 2) input distributions drift between training and deployment (covariate shift); 3) validation sets often diverge from unseen test environments; or 4) standard generative models simply mimic outdated source distributions. This learning setting limits the stability of standard augmentation and adaptation pipelines. We generalize the task under such setting as the Augmented and Weighted Learning under Covariate Shift problem (AWL-CS). AWL-CS imposes two critical challenges on existing methods: 1) misleading generative guidance where models optimize for source similarity rather than downstream task relevance, and 2) structural instability of distributional density where reweighting mechanisms overfit to noisy validation signals. To tackle these challenges, we propose IGDPR (Invariant-Guided Diffusion with Prototype Reweighting), a unified framework that synergizes stable synthesis and structural adaptation: i) To achieve task-relevant generation, we steer the diffusion sampling process using invariant potentials to ensure synthetic samples align with stable decision boundaries rather than outdated correlations. ii) To ensure stable adaptation, we develop a prototype-based reweighting strategy that assesses sample reliability through structural clusters instead of isolated points, effectively filtering validation noise. Extensive experiments on real data demonstrate our method improves data quality by augmenting the most beneficial data for robust learning.
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All authors Hongyu Cao, Xinyuan Wang, Arun Vignesh Malarkkan, Kunpeng Liu, Haifeng Chen, Yanjie Fu

Machine Learning

Don't Waste the Noise: Importance-Guided Perturbation Allocation under Joint Global and Local Constraints

Adversarial optimization under a shared $\ell_1$ budget requires deciding not only how much perturbation to use, but also where that limited budget should be spent. This allocation problem becomes particularly important when individual input coordinates are subject to local magnitude constraints, which restrict the extent to which perturbation can be concentrated on a small number of locations. We introduce an importance-guided allocation mechanism that uses a fixed clean-gradient prior to steer perturbation toward model-sensitive regions while leaving the feasible perturbation set unchanged. A centered allocation objective encourages perturbation at above-average importance locations and discourages unnecessary expenditure elsewhere, thereby redistributing rather than enlarging the available budget. Across ten robust model–dataset configurations under a common capacity-limited threat setting, the proposed method improves attack success over matched APGD- and PMA-based baselines by $2.52$ to $17.70$ percentage points. Allocation analysis shows that these gains are accompanied by substantially greater perturbation mass in high-importance regions without increased global $\ell_1$ consumption. Mechanism ablations further show that centered non-uniform redistribution provides part of the benefit, while model-derived importance yields an additional improvement. These results identify perturbation allocation as a distinct and practically relevant dimension of adversarial optimization under shared-budget, locally constrained threat models.
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Machine Learning

Fixing a Model That Learned Worse Cancer Means Lower Risk: Monotonic Constraints in Bladder Cancer Recurrence Prediction

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

Machine Learning · Cross-listed from cs.CV

SmoothOperator: Enhancing Representations for Fine-grained Open-set Recognition via Modulated Label Smoothing

Open Set Recognition (OSR) aims to enable models to accurately classify known classes while rejecting samples from unseen classes. A key challenge in OSR lies in the inability to model the unbounded distribution of unknown classes during training, often leading to the misclassification of samples from these classes. Rather than modeling unknowns, recent work shapes the feature space so that known classes are compact and well separated, and spherical representation learning methods have achieved strong results this way. Label smoothing has been identified as one of the key drivers of this success, yet it applies the same coefficient to every training sample, regardless of how well each sample is already embedded. We show that the spherical representation learning objectives used in OSR share a single alignment–uniformity structure in which labels enter only through the alignment term. Label smoothing therefore acts as an alignment dial, and a fixed coefficient sets this dial to the same value for every sample. We propose a plug-in, SmoothOperator (SmoothOP), which sets the smoothing coefficient of each sample from its prominence, an embedding-space signal measuring how clearly the sample's own class stands out against its strongest competing class. Our method integrates into four existing spherical representation learning methods at minimal training overhead. SmoothOP assigns strong smoothing to samples with high prominence, which reduces their alignment and relaxes their pull. On the Semantic Shift Benchmark, SmoothOP-augmented variants generally outperform their base objectives across datasets, degrees of semantic shift, and OSR post-processors, with gains of up to 4.7% in AUROC, OSCR, and closed-set accuracy.
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All authors Thiru Thillai Nadarasar Bahavan, Yu Xia, Sachith Seneviratne, Saman Halgamuge

Wednesday 30 September

Machine Learning

PLDiv: Measuring Dataset Diversity and Semantic Collapse via Persistence Landscapes

Modern data pipelines increasingly combine human-created and human-curated data with AI-generated data for model training and evaluation. As datasets grow, they often add semantically redundant samples rather than expanding semantic coverage, which deteriorates the quality of the whole dataset. Existing diversity metrics primarily summarize lexical variation, entropy, or pairwise similarity, but provide limited characterization of the shape of the underlying data distribution. In this paper, we propose PLDiv, a diversity metric derived from persistence landscapes that quantifies the structural organization of a dataset from its geometric representation. PLDiv summarizes how data neighborhoods evolve as nearby samples progressively connect, producing an interpretable scalar measure of structural diversity without requiring task-specific supervision. Whether measuring intrinsic diversity in text generations or image embeddings, or detecting semantic collapse in instruction datasets and reasoning trajectories, PLDiv performs competitively against evaluated baselines and aligns strongly with diversity labels during semantic collapse. Consequently, it effectively supports applications in synthetic data monitoring, dataset construction, data augmentation, and generative model evaluation.
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Machine Learning

Rotate the Loop: Blockwise Conformality for Looped Transformers

Looped transformers reuse one shared block across many recurrent steps, so depth becomes a quantity that can be spent at runtime rather than a stack of distinct layers. Those extra steps help only if a write made on one recurrent step is still readable on later ones, and that depends on the linear map applied to the residual between recurrent steps. We show that whether the loop learns to track state is a geometric question about the form of this map, and we propose blockwise conformal injections: the residual splits into coordinate-aligned groups and rotates inside each one, so every group has its own timescale while the geometry stays exact within it. Our experiments show a performance increase on a demanding form of state tracking - last-token accuracy when the rest of the prefix is already correct - and on language modelling, where a signal written earlier has to be retrieved at the end of the sequence.
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All authors Alexey Zemtsov, Albina Klepach, Vadim Lomshakov, Andrei Polubarov, Nikita Lyubaykin, Alexander Derevyagin, Vladislav Kurenkov, Alexander Nikulin

Machine Learning

Can We Trust This Evaluation? Instance-Level Reliability of LLM-as-a-Judge

LLM-as-a-judge evaluation commonly aggregates multiple judges' decisions into a majority vote, yet this panel decision process does not guarantee that the evaluation of an individual item is reliable. We propose Structured Cross-fitted Uncertainty Risk (SCUR), a label-free approach for estimating instance-level evaluation reliability based on the judge panel's behavior. A latent measurement model serves as the backbone for measurement system analysis, from which SCUR derives three complementary signals capturing panel uncertainty, measurement cross-entropy, and perturbation sensitivity. These three sources of evidence are combined into a risk score. We evaluate the SCUR approach on five real-world benchmarks using majority-vote error ranking, selective trust, and risk stratification. Furthermore, we show our approach to be more effective at detecting high-consensus risk items, which are the blind spots for many other LLM-as-a-judge evaluation methods.
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Machine Learning

Pick the Mixture, Not the Samples: Combinatorial Data Selection for LLMs

Data selection for LLM fine-tuning faces two facts about real training: data pools draw from many distinct domains, and evaluation spans diverse tasks. As a result, the same sample helps different tasks differently, and samples interact during training so that a subset's value is not the sum of its parts. Current data-selection methods leave these realities largely unaddressed. We formalize them as Combinatorial Data Selection (CDS), a framework that separates attribution (how samples are scored) from selection (which subset to pick) and models the non-additive interactions among samples. On a real instruction-tuning data pool, we find substantial cross-domain complementarity (joint utility exceeds the sum of singletons), alongside redundancy within domains. Inspired by this, we propose Mixture-then-Select, a two-stage algorithm that first decides how many samples to take from each domain, then ranks samples within each domain by attribution score. Theoretically, the gap to the optimal subset is linear in the selection size and independent of data pool size. Empirically, Mixture-then-Select outperforms strong baselines by 20 to 54%, is robust across attribution methods, and works across different models and data pool sizes. The framework also extends to the data purchasing problem under a budget constraint when sample prices vary. Our findings suggest that allocating selection across domains offers a promising path toward more efficient and effective data selection for modern LLMs.
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Machine Learning · Cross-listed from eess.AS

EarLog: Opportunistic Ear Physiology Sensing toward Personalized Hearing Risk Awareness

Many headphone users risk irreversible hearing damage during high-load listening, yet current protection still relies on sound-pressure limits. Clinical tests detect damage after it becomes measurable, leaving the risk-accumulating process unobserved. The acoustic reflex (AR), an involuntary response to high acoustic load, marks when the ear enters a protective state. AR traces are weak, and existing measurements require dedicated probes and controlled conditions that are difficult to maintain during everyday audio. We present EarLog, which turns playback, the dominant interference, into an opportunistic probe. EarLog introduces content-conditioned residual sensing to suppress variations caused by nonstationary content, individual ear acoustics, and device response. It identifies weak AR through loudness-dependent changes and localized spectral irregularities in the residual. A resonance-constrained sparse finite impulse response (FIR) model captures the short-window response. Dual-microphone observations, mild-distortion recovery, and cross-session reference updates keep detection usable under low signal-to-noise ratio (SNR), fit changes, and environmental drift. EarLog runs in real time on an embedded controller using a low-cost dual-microphone add-on. We evaluate it with 81 participants, 16 headphone models, and more than 400 hours of recordings. EarLog achieves 99.0% sensitivity and 98.7% specificity on a clinically referenced benchmark. EarLog records listener-specific AR events during everyday listening, providing data for future longitudinal studies of hearing risk.
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Machine Learning · Cross-listed from eess.AS

Acoustic Biomarkers for Alzheimer's Disease Detection from Spontaneous Speech

Alzheimer's disease (AD) remains a major public health challenge, and early identification is crucial for timely intervention and care planning. Recent work has shown that speech-based digital biomarkers can capture subtle changes in vocal production, prosody, and timing that often precede or accompany cognitive decline. In this study, we investigate whether acoustic features extracted from spontaneous speech can reliably distinguish individuals with AD from healthy controls. Using a structured speech dataset derived from the Cookie Theft picture-description task, we extract clinically informative low-level descriptors spanning prosodic, spectral, and temporal domains, and evaluate a range of machine learning classifiers. Our results indicate that acoustic biomarkers carry strong discriminative value, with the best-performing models achieving clinically meaningful separation between diagnostic groups. These findings support the use of non-invasive, low-cost audio-based screening tools and motivate further work on multimodal and longitudinal assessment frameworks for dementia risk detection.
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Machine Learning · Cross-listed from cs.CL

Beyond Risk Prediction: Evidence Grounding and Psychosocial Factor Verification for Explainable Suicide Risk Assessment

Identifying suicide risk from social networking services (SNS) posts is important for detecting suicide-related signals in online environments. However, risk classification alone provides limited insight into the textual evidence and psychosocial factors behind a prediction. Based on the IEEE BigData 2026 Explainable Suicide Risk Detection Challenge, this study presents a framework consisting of Risk Assessment, Evidence Grounding, and Factor Identification. Risk Assessment uses length-based routing to accommodate posts of different lengths. Evidence Grounding identifies supporting phrases and uses a Risk-Evidence constraint to maintain consistency with the Risk prediction. For Factor Identification, two verifiers are used. The Taxonomy Verifier focuses on factor semantics, whereas the Evidence-Aware Verifier uses factor-specific lexical-semantic cues to select informative positive training units. Their prediction probabilities are combined to produce the final factor predictions. The three tasks are evaluated using task-specific F1 score measures. Risk Assessment achieved a Weighted F1 of 0.8088, Evidence Grounding achieved a test Macro row F1 of 0.7605, and Factor Identification achieved a Macro F1 of 0.5562. The results show that the framework can provide risk predictions, along with supporting textual evidence and fine-grained information on psychosocial factors. Overall, the proposed framework extends suicide-risk assessment beyond risk-level prediction and provides a more interpretable analysis of SNS posts.
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All authors Tianle Hu, Chen Peng, Yi-Hsin Tsai, Takshing Andy Tung, Bingyang Sun, Yenjou Wang

Machine Learning · Cross-listed from cs.CL

Beyond the Sycophancy Score: How Task, Model, and Pressure Shape LLM Yielding

Large language models (LLMs) often abandon a correct answer, or endorse a user's position, once the user pushes back. This behavior, called sycophancy, is usually reported as a single rate per model, which says little about when it happens or how a user can avoid it. We study the conditions that produce it with 103,939 graded replies from ten configurations: eight LLMs with reasoning disabled, and two of them again with maximum reasoning, all facing the same 200 items, 13 pressure conditions, and four-turn conversations, with every reply labeled by two independent LLM judges. We find that the dominant factors are how costly it is for the model to verify the user's claim, and whether a trained guardrail covers it. Removing this task factor from a logistic model costs 0.485 of McFadden $R^2$, against 0.139 for model family and 0.009 for pressure tactic. Anchored facts are almost never conceded (1.3%), while adoption on logic puzzles rises with the number of clues needed to refute the pushed answer. Personal choices are endorsed in 77.0% of conversations. Most concessions on hard items come from models that cannot reliably solve them; models that can solve them rarely give the answer up. For both models tested, maximum reasoning removes these concessions completely: adoption on deep puzzles falls from 19.2% and 12.5% to 0%. Fallacious or emotional framing adds nothing beyond plain repetition. Three human annotators agree with the judges' consensus on 118/120 calibration items. These results give practical rules for reliable use: simplify hard-to-verify problems and reason deeply, state the question rather than one's preferred answer, ask for evidence on open questions, and choose models by their measured guardrail profile.
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All authors Guang Yang, Homa Hosseinmardi, Fengchen Liu, Amir Ghasemian

Machine Learning · Cross-listed from cs.CL

Component and Dimension Sparsity in Transformer Refusal Mechanisms

Activation steering manipulates large language model behavior by intervening on internal activations, but the mechanistic basis of these interventions remains poorly understood. We decompose refusal steering into component-level interventions across four open-weight models, identifying the sparse subsets of attention and MLP components whose steering suffices to reproduce the full behavioral effect. We find that refusal directions concentrate in sparse component mechanisms comprising 28–48% of upstream components, retaining 88–101% of steering effectiveness. Within these mechanisms, effective steering further concentrates in approximately 50% of residual stream dimensions, retaining 85–98% of the component-mechanism baseline, consistent with a privileged basis structure. Sparsity thus operates at two levels: which components are steered, and which dimensions within those components carry the signal. Together these findings show that refusal is not diffusely encoded across a transformer but assembled by a structured, identifiable mechanism, providing a foundation for mechanistic understanding of how refusal behaviors are represented and steered. To facilitate reproducibility, we release all code and raw experimental results in https://github.com/wang-research-lab/Refusal_Mechanisms.
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All authors Vincent Siu, Glenn Grant-Richards, Vlad Pavlovich, Yizhou Sun, Dawn Song, Chenguang Wang

Machine Learning

Parameter-Free Interval-Dynamic Regret under Heavy-Tailed Noise

We study online convex optimization with one unbiased stochastic subgradient per round and an unknown finite conditional $p$th noise moment, $1<p\le2$. For every fixed interval $I$ of length $n$ and comparator path with $\Lambda_I=1+P_I/D$, one learner achieves \[ E[Regret_I(u)]\le\min(GDn, C[GD\sqrt{n(\Lambda_I+\log^2(2T))} +\sigma Dn^{1/p}(\Lambda_I+\log^2(2T))^{(p-1)/p}]). \] The learner uses none of $G,\sigma,p,I,P_I$, and the constant is universal. Interval adaptation adds to comparator complexity, preserving the distinct mean-gradient and noise exponents. The analysis controls calibration in expectation and limits the cost of observation-scale changes. Its general theorem compares to distributions over predictably available experts with relative-entropy dependence on a nonuniform prior. A common prior favors long windows and long restart lengths. With the statistics supplied, the interval cost becomes $1+\log(T/n)$, including the optimal full-horizon static rate. A change-of-measure lower bound identifies the noise power of this logarithm for learners retaining a full-horizon optimal guarantee, under explicit conditions. Static comparisons and deterministic partitions follow from the same decisions.
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Machine Learning

TRACE: A Reproducible Benchmark for Electricity Price Forecasting with Official Operational Text

Electricity price forecasting (EPF) supports scheduling, bidding, and risk management in electricity markets, yet existing benchmarks focus mainly on numerical inputs, leaving the forecasting value of forecast-time textual context insufficiently evaluated. We introduce TRACE, a reproducible benchmark of 7,300 zone–day instances pairing prices from five zones in a major U.S. market with official operational text available at the forecast cutoff. TRACE reconstructs official operational text at each cutoff, preventing post-cutoff information leakage. We evaluate TRACE for semantic alignment and forecasting value. Semantic assessments align with central movement and both tail risks in ground-truth prices, most consistently for upper-tail price risk. Forecasting value is reflected in a median 7.4% reduction in upper-tail pinball loss across time-series foundation models. A controlled cross-day text-mismatch ablation reverses the gains, falling below the no-text baseline.
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Machine Learning

MACTS-EM: Multi-Agent Collaborative Time Series Forecasting with Emergent Memory

Time series forecasting remains a critical challenge across numerous domains. Despite significant advancements, existing approaches struggle with complex phenomena such as regime shifts, cross-domain knowledge transfer, and multimodal data integration. This paper introduces Multi-Agent Collaborative Time Series Forecasting with Emergent Memory (MACTS-EM), a novel framework where specialised agents collaborate to achieve superior forecasting performance. The MACTS-EM architecture integrates: (1) domain-specialised forecasting agents for pattern recognition, anomaly detection, causal inference, and uncertainty quantification; (2) a meta-cognitive layer for dynamic agent allocation; (3) an emergent memory mechanism enabling cross-domain pattern transfer; (4) multimodal contextual integration; and (5) adversarial robustness components. Evaluation across financial markets, climate patterns, energy consumption, and pandemic propagation demonstrates that MACTS-EM outperforms existing approaches in most scenarios, with 8-12% improvement in forecasting accuracy, 22-27% better zero-shot transfer capability, 16-21% enhanced resilience during regime shifts, and 15-18% faster recovery after distribution shifts. Our findings suggest that collaborative, agentic approaches to time series forecasting represent a promising direction beyond traditional architectures, particularly for complex real-world scenarios requiring multi-resolution temporal understanding and contextual adaptation.
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Machine Learning

Overcoming Challenges of Interpretive Structural Modeling with Large Language Models

Interpretive Structural Modeling (ISM) is a well-known process for multi-criteria decision making. The success of ISM over other methodologies is its ability to model causal relationships, the binary scale of factors, and resulting hierarchical representation. Traditionally, the modeling process is performed by repeated interactions with subject matter experts until consensus is reached. This process is tedious, labor-intense, and most importantly limits the ability of ISM to scale to studies with hundreds of variables. Drawing on existing work of causal graph discovery with large language models (LLM) as imperfect experts, this work explores an integrated LLM-ISM approach for ISM. Pairwise, k-wise, rowwise, and full graph discovery methodologies are compared and evaluated. It is shown that causal graph discovery methods for ISM perform best using rowwise (SHD=160, F1-score=0.77) and full graph methods (SHD=135, F1-score=0.73).
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All authors Everett Rush, David J. Icove, Ari Kim, Byung H. Park, Michael A. Langston

Machine Learning

Approximation Property of Dropout Neural Networks: Sobolev Rates and Confidence Bounds

The universal approximation property of dropout neural networks does not by itself describe the network size required for an accurate random realization. In this work, we study approximation of the unit ball of $W^{n,\infty}([0,1]^d)$ by ReLU networks whose edges are retained independently with probability $p$. The approximation error is measured uniformly over the input domain, and the guarantee holds with probability at least $1-\delta$ for a single sampled network. We construct networks of constant depth and size $\widetilde O_{n,d}(p^{-9}\varepsilon^{-\max\{d/n,2\}} \log(1/\delta))$. The construction combines bounded local subnetworks, localization on a successful approximation event, and a multiscale Taylor decomposition. Conversely, Sobolev capacity imposes a lower bound on the number of surviving edges, while approximation of a fixed affine function requires an output-layer cost of order $((1-p)/p)\varepsilon^{-2}\log(1/\delta)$ at sufficiently high confidence. For fixed $p\in(0,1)$ and $\delta<\min\{1/2,1-p\}$, the upper and lower bounds match in the accuracy exponent under a fixed or logarithmic depth budget. When $d\leq2n$, they also match in confidence up to logarithms of accuracy. We extend the lower bounds to $W^{n,r}$ targets with $L^s$ error, and distinguish this extension from the upper bound for $W^{n,\infty}$. The optimal retention dependence and logarithmic factors remain open.
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Machine Learning

Counterfactual Predictions in Scientific Emulators Without Controlled Experiments

Many scientific questions require reasoning about what was never observed: What if the conditions, interventions, or history had been different? Models can predict accurately on observed data yet fail on such what-if queries when correlated inputs are varied independently. A common remedy is to add controlled simulation data in which these factors are explicitly disentangled, but this requires access to a simulator, can be computationally expensive, and inherits the simulator's modeling assumptions. We introduce ReRoute, a framework for targeted scientific what-if prediction that combines factual data with partial mechanistic knowledge, without requiring controlled intervention data for adaptation. ReRoute fixes the queried input of a pretrained backbone to a reference value, reintroduces its variation through a known mechanistic pathway, and fine-tunes on the original factual data, while leaving downstream effects to the learned dynamics. We provide a causal identification result for this construction under explicit structural assumptions, with the core argument machine-checked in Lean. After showing that ReRoute achieves highly accurate counterfactual predictions in a controlled advection-diffusion system where exact responses are available, we turn to state-of-the-art climate emulation. On held-out coupled-climate interventions, ReRoute reduces aggregate climate error by 18.2-31.8% under severe CO$_2$ distribution shifts while preserving skill under standard conditions, at a small fraction of the cost of retraining on additional controlled simulations, without even accounting for the substantial expense of generating such data. Finally, on an emulator trained from historical ERA5 reanalysis, where no counterfactual reference exists, ReRoute preserves substantially more of the surface warming implied by the observed boundary conditions under a fixed-CO$_2$ counterfactual.
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All authors Dingling Yao, Kahaan Gandhi, Valentin Duruisseaux, Boris Bonev, Francesco Locatello, Anima Anandkumar

Machine Learning

Rank-Aware Speculative Sampling for Diffusion Draft Trees

Speculative sampling accelerates diffusion generation by verifying inexpensive draft states in parallel while preserving the target law. Recent tree-based methods allocate the parallel compute budget more effectively than single-chain drafts, as demonstrated by Diffusion Greedy Rejection Sampling (D-GRS). D-GRS generates $K$ conditionally independent candidates per node, and sequentially tests them in their generation order. Yet the sampled candidates admit an informative ranking without additional target-model evaluations. To exploit this, we introduce Rank-Aware Speculative Sampling (RASS), a verification rule for speculative draft trees based on rank-aware list coupling. RASS orders draft candidates along the proposal-target mean displacement and samples a rank with weights optimized to minimize total variation between the selected-proposal and target laws. Finally, the selected candidate is maximally coupled with the target, with residual correction ensuring exact sampling for any choice of rank weights. We evaluate RASS on a Gaussian-mixture target, unconditional pixel-space generation on FFHQ, conditional generation on CIFAR-10, and latent diffusion with Stable Diffusion 3.5 using COCO2014 prompts. Measured by the ratio of standard to speculative sampling's target-model evaluation counts, RASS improves on D-GRS across the evaluated settings, with gains reaching approximately 20% on CIFAR-10 at matched compute budgets.
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All authors Marcello Bullo, Yanxiao Liu, Öykü S{\i}la Güner, Arpan Mukherjee, Deniz Gündüz

Machine Learning

Nearest-neighbour baselines for fingerprint prediction from MS/MS spectra under different assumptions

It has recently been shown that nearest-neighbour retrieval provides a strong baseline for molecular fingerprint prediction from MS/MS spectra, with several variants matching or outperforming current deep learning models (Khoo and Barzilay, 2026; Liu et al., 2026; Gupta et al., 2026). Importantly, "nearest neighbour" encompasses a family of retrieval methods that differ in the information assumed to be available at inference. In this report, we systematically compare several nearest-neighbour variants and show how these differing assumptions affect performance. Our goal is to establish stricter baselines that enable more rigorous benchmarking and better measure progress in this area.
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Machine Learning

State-Space Unlearning for Non-Stationary Bias in Land Surface Forecasting

Operational land surface forecasting systems built on Mamba-family Structured State Space Models absorb non-stationary confounding events (unrecorded irrigation booms, dam-operation shifts, sensor recalibrations) into their state-transition matrices, silently biasing NDVI, LST, and crop phenology predictions long after the physical cause ends. This paper introduces SSU-LSF (State-Space Unlearning for Land Surface Forecasting), the first machine-unlearning framework purpose-built for geoscientific Mamba-based SSMs. We develop EKFac influence functions specialized to the Mamba state matrices via a closed-form matrix-exponential gradient, use spectral-radius-weighted elbow thresholding to localize a temporal confounding footprint $\Phi$, and apply Hessian-free projected gradient ascent within a KL-divergence trust region augmented by spatial total-variation (TV) regularization. Proposition 1 establishes that residual confounding is bounded by $\mathcal{O}\big((1-\rho(\bar{A})^{T_c})/((1-\rho(\bar{A}))\mu)\big)$, which grows with the window length $T_c$. Across three heterogeneous benchmarks and eleven baselines, SSU-LSF achieves confounding reduction rates of $0.773$ (CropHarvest), $0.821$ (NDVI-LST), and $0.859$ (ERA5), with worst-case clean-domain RMSE degradation of $4.2\%$ on ERA5, converging in 3–5 epochs at $8.4\times$ lower GPU-cost per unlearning request than full retraining. Code: https://github.com/Anidipta/SSU-LSF
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Machine Learning · Cross-listed from astro-ph.IM

A Missing Latent, Not a Missing Simulator: Radius-Augmented Inference for Real JWST Retrieval

Amortized simulation-based inference (SBI), which is trained on radiative-transfer simulators, recovers exoplanet atmospheres accurately on synthetic James Webb Space Telescope (JWST) spectra but collapses when it comes to real reduced spectra. The flow posterior collapsed on real WASP-39b (importance-sampling effective sample size (ESS) = 1, best-fit ḩi}2/N = 301), and such a failure is usually blamed on missing the forward-model physics, but ruling these levers out with nested sampling first (a temperature gradient, SO2 opacity, and a high-fidelity opacity set) leaves the fit unchanged, meaning the collapse is not from the simulator misspecification but instead from a missing latent, the planet radius. To fix this, we build MIRAGE, a radius-augmented flow-matching posterior calibrated against an independent nested-sampling reference with importance sampling and an optimal-transport map, which yields a physical and literature-consistent retrieval of real WASP-39b (with ḩi}2/N from 301 to 0.06). This same method transfers unchanged across two instruments and three real JWST targets, including one spectrum self-reduced end-to-end from raw Mikulski Archive for Space Telescopes(MAST) data. The lesson is cross-domain, as a latent the simulator encodes but the inference omits can masquerade as misspecification.
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Machine Learning · Cross-listed from quant-ph

Neural Fourier Surrogates for Data Reuploading Quantum Neural Networks

For quantum machine learning, the exact boundary between classical and quantum advantage is still poorly understood. Direct comparison between quantum neural networks (QNNs) and existing classical models, which encompass fundamentally different function classes, often fails to provide broader insight into the difference between the two. Inspired by the techniques of Neural Quantum States and Random Fourier Features, this work introduces Neural Fourier Surrogates (NFS), a stochastic classical neural network architecture for efficiently learning coefficients over the same finite Fourier series support as quantum neural networks. Testing on a selection of tabular benchmark datasets, we find that NFS is an effective classifier architecture broadly competitive with established classical baselines, including a comparable Random Fourier Features model, and possessing comparable performance to data-reuploading QNNs; combined with additional analysis comparing the learned Fourier spectra of QNNs and NFS on synthetic data, these results establish NFS as a natural classical baseline for evaluating QNN performance.
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All authors Oliver Knitter, Jonathan Mei, Sang Hyub Kim, Chi Chen, Masako Yamada, Martin Roetteler

Machine Learning

SHARPO: Segment-Level Credit Assignment for Agentic Reinforcement Learning

Agentic reinforcement learning (RL) trains a large language model (LLM) to act over long, multi-step interactions. However, a single localized error can cause task failure, while trajectory-level rewards provide limited guidance for assigning credit to individual decisions. To address this limitation, we introduce Segment-level Hindsight Advantage Reweighting for Policy Optimization (SHARPO), a credit-assignment mechanism that refines Group Relative Policy Optimization (GRPO) at the level of environment-facing segments. Inspired by the existing on-policy self-distillation (OPSD) method, SHARPO computes teacher-student log-probability gaps within each segment and uses the resulting signal to compute a bounded multiplier on the GRPO advantage. This multiplier is shared by all tokens within the segment, allowing credit to vary across different segments. With Qwen2.5-7B-Instruct, SHARPO outperforms existing baselines on the ALFWorld and WebShop benchmarks, including GRPO, SDAR, RLSD, and StepOPSD.
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All authors Xinchen Du, Zhengze Zhou, Wenhui Zhu, Han Yu, Sen Na, Rohit Jain, Alborz Geramifard

Machine Learning

TrueMuse: A Benchmark for Data Attribution in Text-to-Music Models

Text-to-music generation models are trained on massive music collections, creating a growing need for data attribution methods that can quantify the contribution of individual training samples. However, existing attribution methods are difficult to rigorously evaluate due to the lack of reliable ground truth, making it challenging to reliably assess their actual effectiveness. To address this gap, we introduce TrueMuse, a controlled dataset and benchmark for text-to-music data attribution. TrueMuse is constructed by fine-tuning three diffusion-based text-to-music models on carefully curated attribution samples, whose known inclusion in fine-tuning provides controlled attribution targets for evaluation. The benchmark covers four attribution settings, spanning melodic structure, timbral characteristics, artist-level stylistic signatures, and genre-level shared patterns, and includes 133 attributes, 648 fine-tuned models, and 95,456 generated samples across two prompt types. Using TrueMuse, we systematically evaluate existing black-box attribution methods along four dimensions: fine-tuning improvement, prompt-type difficulty, multi-task training, and fine-tuning data size. Our results show that attribution remains challenging, with existing methods exhibiting substantial variation across evaluation settings, highlighting the need for more reliable and generalizable attribution methods for text-to-music generation.
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Machine Learning · Cross-listed from cs.CL

VERITYGATE: A Four-Gate Schema-Level Faithfulness Framework and Paired Benchmark for Grounded LLM Narrations over Structured Evidence

Fluent LLM explanations may not follow the evidence from a structured system. We present VERITYGATE, a four-gate checker for declared evidence IDs, entities, numbers, and claim types. It checks a fixed schema; it does not verify every fact in the prose. At r=0 and r=1, we test 900 instances per setting (450 grounded-ungrounded pairs) with GPT-4o-mini, Llama-3.3-70B, and Claude Sonnet 4.6. Under this schema-level contract and before repair, 80.3% of mini claims and 47.9% of Sonnet claims fail. These are verifier rejection rates, not prose-hallucination rates. One repair pass raises claim survival from 19.7% to 28.0% for mini and from 52.1% to 54.3% for Sonnet. Verified claims per example change by +0.14 for mini, -0.71 for Llama, and -0.47 for Sonnet, so survival and output volume must be reported together. A second Sonnet pass gives no clear gain. At r=1, Gate 4 covers 97.0%, 98.7%, and 100% of failing claims for mini, Llama, and Sonnet. Small human studies support the rules but show gaps between schema checks and correct prose. A domain-specific GPT-4o judge test shows an order effect, so it is only a usefulness check. We release the code and data.
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2610.00833 · 30 Sep · 16 pages, 5 figures, 7 tables. Accepted at Grounding Language Models: Learning Faithfully and Efficiently (GroundLM 2026), co-located with EMNLP 2026. Code: https://github.com/sachinkg12/yukti/releases/tag/veritygate-groundlm-2026-v1.0.0 Supplementary artifact: https://doi.org/10.5281/zenodo.22668710