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Thursday 13 August

Machine Learning

Neural Quadratic Forms: A Unified Minimal Model for Sudden Learning and Scaling Laws

Neural networks trained by gradient descent on a smooth cost function can nevertheless learn in steps: the cost holds on long plateaus and then drops abruptly. Meanwhile, training losses instead follow smooth power laws. Variants of both behaviors occur in architectures with very different microscopic structures, which is the signature of a few relevant collective variables. We show that a symmetry fixes what those variables are: a network layer is a sum over interchangeable units, so relabeling the units leaves it unchanged; given smoothness and the condition that a unit's gradient vanish at the origin, symmetry then enforces a universal leading form for the expansion about the near-zero weights present at the start of training, the quadratic $\Tr[WW^{\top}A(x)]$, in which every architectural detail is confined to a single “structure matrix" $A(x)$ that we compute for each architecture. Perceptrons, attention layers, mixtures of experts, and convolutions become one model at different $A$. Its training dynamics then close on the “order parameter" $M=WW^{\top}$ and, whenever the data matrices share an eigenbasis, reduce to a Lotka–Volterra equation whose modes switch on one after another. The smaller the initial weights, the further apart the switch-on times, and the plateaus appear as a singular limit of a smooth flow; when many modes are unresolved the same events merge into a power law in training time whose exponent the theory predicts. We confirm both numerically across training methods and architectures.
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All authors Liu Ziyin, Yizhou Xu, Tomaso Poggio, Isaac Chuang

Machine Learning

Training AI Scientists to Replicate Research

The replicability of papers is a cornerstone of scientific knowledge, ensuring the reliability of existing results and providing a base for further experiments. The act of replication typically illuminates details that were previously underspecified, and thus requires similar hypothesis-driven exploration to open-ended research. In this work, we develop Replica, a scalable task space for paper replication. To provide reward signal, we introduce an auto-generated rubric-based judge that has low noise and agrees with human assessment of replication quality. We post-train Faraday, a 27B-parameter "AI Scientist" agent that leverages coding agents as tools, surpassing the performance of Claude Opus 4.8 and GPT-5.5 on held-out replication tasks. Qualitative analysis of individual rollouts reveals that Faraday adopts a more scientifically-principled approach. We believe that our results provide a stepping stone towards AI agents capable of long-horizon scientific innovation without requiring complex harnesses.
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All authors Damon Falck, Samer Sabri, Anja Surina, Thom Foster, Anya Sims, Sam Devlin, Dylan Rogers, Tantum Collins, Kaloyan Aleksiev, Louis Kirsch, Edward Hughes

Machine Learning

A Probe Direction Is a Property of Its Prompt

A model that behaves differently when it senses it is being tested would undermine the evaluations we rely on, so recent work has sought to read that sense directly from a model's activations. The standard instrument contrasts activations on prompts that announce an evaluation against prompts that do not, and reports how well the resulting direction separates held-out cases. That number is then compared across models and correlated with scale. We observe that the instrument has a free parameter its readings do not disclose: "a prompt that announces an evaluation" is not a prompt but a choice among many, and nothing in the method fixes which. Holding the task text fixed and varying only that choice, we find that the reported score, and even the direction in which it trends with model size, follows the prompt rather than the model; two published studies that disagree about the sign of that trend are both reproducible from a single design, by choice of prompt alone. Treating the prompt as a facet of a measurement design rather than an implementation detail, we find the model under study accounts for a small share of the variance in the number reported about it, and most of the rest lies in how each model responds to each prompt: collecting more evaluation items cannot repair the measurement, while varying prompts can. A further check finds that the split these probes are scored on is largely separable from surface form alone, so a direction carrying no information about evaluation at all still reproduces a substantial fraction of each published score. We conclude that a single-prompt design cannot support comparison between models, and we give the number of prompts a defensible comparison requires.
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Machine Learning · Cross-listed from eess.SP

Foundation models for movement data: Are they ready for prime-time?

Foundation models (FMs) trained on large-scale accelerometer data have been proposed as general-purpose feature extractors for health monitoring, but systematic evidence of their advantages is lacking. We present the first comprehensive evaluation of four open-source accelerometer FMs against supervised baselines covering 19 tasks across the domains of activity recognition including activities of daily living, clinical monitoring, and physiological inference. We find task-dependent performance results: supervised models remain competitive with FMs on human action recognition (HAR), with no consistent advantage for either, while selected FMs lead on fall and stress detection and are the most robust to sensor-placement variation. As frozen feature extractors, FMs are strongest for demographic inference, whereas sleep staging performance remains near chance level for all models. The internal FM representations show strong similarity across layers, highlighting potential for future FM improvements. Linear and frozen probing reveals that UniMTS provides the strongest representations and is the only FM that surpasses the supervised baselines without finetuning. Concept discovery analysis shows all models capture high-intensity activities clearly but struggle with sedentary, complex or ambiguous activities. We provide scenario-based deployment recommendations. Furthermore, we identify FM-derived activity profile inference-moving beyond fixed category classification-as a promising research direction.
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Machine Learning · Cross-listed from cs.GT

Keep, Customize, or Exit: Default Design and Token Pricing in LLM Reasoning Services

We study a large language model (LLM) service in which a provider chooses a per-token price and a default reasoning-token allocation, while a user may accept the default, customize the allocation, or exit. Larger allocations can improve accuracy but increase token cost and latency. We model this interaction as a Stackelberg game and derive the user's unique optimal customized allocation in closed form. For any price, the acceptable defaults form either an empty set or a compact interval. We characterize the provider's optimal default through a three-regime rule, reduce equilibrium computation to a one-dimensional price optimization, and prove the existence of the equilibrium. We further show that defaults affect the implemented reasoning allocation only when users value the convenience of avoiding customization; otherwise, every service-providing outcome implements the user's optimal customized allocation. Experiments with two compact open-weight reasoning models on five mathematics and science benchmarks support the accuracy-token model and show how model and task characteristics determine equilibrium prices, defaults, and reasoning allocations.
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Machine Learning

The Time Value of Evolution

In evolutionary search, a weak child can be a valuable ancestor that makes high-fitness regions reachable. Immediate-return control is blind to this delayed utility, penalizing mutations through their immediate offspring even when they open productive future lineages. We formalize this hidden dynamic as the time value of evolution within a finite-horizon Markov decision process. To exploit it, we introduce Lineage-Value Policy Gradients (LVPG), a long-horizon actor-critic framework for automated trading policy discovery. Our architecture decouples search control into specialized policy heads over a shared generative backbone: a bootstrapped critic head estimates the value of finite-horizon lineage potential from multi-step mutation trees, while an actor head dynamically modulates mutation intensity over the remaining search budget. We isolate the impact of long-horizon credit assignment against immediate-return optimization across 90 paired runs under matched operators, lineage supervision, folds, seeds, and budgets. Path-based credit assignment substantially accelerates finite-budget search, increasing validation best-so-far AUC by 0.394 Sharpe units. LVPG also produces fewer temporary regressions than immediate-return optimization and recovers from them more often. Finite-horizon lineage value yields more selective non-monotonic search and stronger policies within identical resource constraints.
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Machine Learning

Large-scale Testing Global Optimization Methods with Black-box Adversarial Attacks

Existing global optimization benchmark suites are of a moderate size and are based on a small number of analytical functions that date back even to the 1970s. This causes a risk of biasing the development of global optimization methods. We argue that the tasks related to the black-box adversarial attack (BBAA) can serve as valuable global optimization benchmark in many-dimensional space. We demonstrate the efficiency of several types of evolutionary algorithms and other metaheuristics in solving example BBAA problems. Thus, we take a step towards convergence of global optimization methods to the challenges and needs that arise in the modern machine learning field.
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Machine Learning

EEG Decoding Using CNN and LSTM Network

Motor imagery (MI) brain–computer interfaces (BCIs) have emerged as a promising approach for establishing flexible communication pathways between the human brain and external devices , particularly for individuals affected by stroke or neurodegenerative disorders. Reliable decoding of motor-imagery electroencephalography (MI-EEG) remains challenging because EEG recordings contain substantial noise and exhibit complex, weakly informative relationships with the underlying brain activity. Although deep learning provides an effective means of learning representations directly from EEG signals, its application to MI-EEG feature learning remains comparatively limited. This study introduces a hybrid deep-learning architecture that integrates a convolutional neural network (CNN) with a bidirectional long short-term memory (bi-LSTM) network. The CNN is used to learn high-level spatial and temporal representations directly from raw MI-EEG recordings, whereas the bi-LSTM models temporal dependencies and relationships among the extracted features. The proposed approach is evaluated using both a publicly available dataset and a privately acquired dataset obtained with an EEG acquisition system. The experimental results indicate that the CNN&bi-LSTM architecture provides robust performance for both two- and three-class motor-imagery classification and demonstrates promising subject-independent decoding capability across the evaluated methods.
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Machine Learning · Cross-listed from cs.CL

How Do VLMs Behave When Blind or Misled? Behavioral Evaluation of VLMs on Scientific Figures

Existing vision-language model (VLM) benchmarks emphasize perception and reasoning accuracy (how well VLMs describe and reason about what they see in an image), with limited attention to behavioral reliability under uncertainty (how they behave when visual evidence is missing or misleading). We introduce SciFigBench, a diagnostic VLM benchmark for scientific figure understanding that jointly evaluates perception, reasoning, and behavioral reliability under uncertainty. It contains 250 figures with high-quality human annotations across three evaluation aspects, totaling 600+ hours of annotation effort. We further extend these figures via image transformations, reasoning questions, resistance probes, caption-bias probes, and confirmed selective-blur targets, producing over 34,000 evaluation setups for stress testing. We further propose the Admittance-Resistance-Inductance (A-R-I) framework to evaluate whether models acknowledge insufficient evidence, resist misleading context, and infer cautiously from partial information. Our results reveal substantial behavioral differences among models. GPT-5.2 achieves the highest description quality (MQM 91.6) with strong reasoning accuracy (78.4%), yet hallucinates unreadable content in 96% of cases, whereas Gemini 3.1 Pro, a comparably capable model (MQM 90.2, reasoning 81.0%), admits uncertainty in 71% of such cases and achieves the strongest resistance score (0.91). These findings show that high perception and reasoning accuracy alone do not guarantee behavioral reliability, a dimension critical for deployment in scientific workflows.
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All authors Paul Osemudiame Oamen, Owusu-Banahene Osei, Ananya Mukherjee, Christian Greisinger, Steffen Eger, Pius Onobhayedo, Wei Zhao

Machine Learning

Into the ORBIT for Time Series: Training Regimes for Foundation Models

Time series foundation models (TSFMs) have advanced primarily through architectural innovation, while training regimes for large-scale heterogeneous corpora remain under-explored. As a result, pre-training distributions are often poorly controlled with respect to domain imbalance, context requirements, prediction horizons, and missingness. We introduce ORBIT (Omni-Range Bootstrap Incremental Training), a training paradigm that makes this distribution explicit and controllable. ORBIT combines Bootstrap Multi-Level Sampling, which controls dataset exposure and samples records, target variables, context windows, and prediction horizons, with Omni-Range Incremental Training, which varies context lengths and prediction horizons throughout a single training stage. Under ORBIT, we train Falcon-2.0, a simple univariate encoder-only Transformer with missingness-aware triple-channel patch tokenization and parallel patch prediction. We further introduce Rank-Guided Cross-Depth Alignment, a training objective that uses late-layer representations as stop-gradient teachers for shallow layers without additional inference cost. Evaluations on GIFT-Eval and fev-bench demonstrate strong zero-shot forecasting performance across diverse domains and frequencies.
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All authors Hongjie Xia, Yiding Liu, Yifan Hu, Peiyuan Liu, Zewei Dong

Machine Learning

Virtual Temperature Sensors in Power Transformers Using Neural Ordinary Differential Equations

Accurate modeling and forecasting of power transformer thermal behavior are critical for reliability, asset lifetime, and optimized power system operation. Numerical approaches such as finite element methods (FEM) and computational fluid dynamics (CFD) offer high fidelity but are computationally expensive, require complex mesh generation, and are often impractical for real-time or large-scale applications, particularly when transformer geometries are unknown. Lumped-parameter thermal models are more practical but depend on transformer-specific thermal constants and may fail to capture dynamic responses under varying operating and environmental conditions. Purely data-driven machine learning methods, including artificial neural networks, convolutional neural networks, and long short-term memory (LSTM) networks, have shown success in forecasting transformer temperatures but typically require large volumes of high-quality training data and may produce physically inconsistent or uninterpretable results. This paper develops a physics-aware Neural Ordinary Differential Equation (Neural ODE) framework for forecasting transformer thermal behavior from real-world time-series data. Neural ODEs model system dynamics in continuous time, providing smooth trajectory prediction and a natural representation of continuously evolving thermal dynamics. A key contribution is the integration of simplified heat-transfer equations directly into the Neural ODE formulation. The model is evaluated across datasets from fifteen transformers in different regions of Norway with varying designs and cooling mechanisms. The results demonstrate that the developed Neural ODE framework provides a standardized, physics-aware, and robust forecasting approach for heterogeneous transformer units.
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Machine Learning

Novel Knowledge-Guided Generative Methods for Synthetic Transcriptomic Data

As biomedical research increasingly relies on data-intensive tools, the quality and utility of datasets are critical. Challenges such as imbalances, biases, and ethical or legal constraints often limit access to high-quality data. Synthetic data generation can help overcome these limitations. Here, we present a comparative analysis of generative models for transcriptomic data, investigating strategies to incorporate prior biological knowledge via gene graphs. This ensures that synthetic data capture real-world gene patterns, maintaining their usefulness for downstream tasks. In particular, we introduce and benchmark three variants of the Generative Adversarial Network. Among the alternatives, MK-TGAN - an innovative multi-kernel, Graph Neural Network-based model - stands out for its performance in terms of both the realism and utility of the generated data. Unlike other methods, MK-TGAN leverages prior knowledge graphs by exploiting graph neural networks. Our results show that prior knowledge integration strategies improve performance, and that MK-TGAN consistently produces synthetic samples with superior realism and biological plausibility.
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All authors Francesca Pia Panaccione, Sofia Mongardi, Marco Masseroli, Pietro Pinoli

Machine Learning

Knowledge-guided Pattern Discovery via Coupled Tensor Factorizations

In order to understand complex systems such as the human metabolome or human brain, different sensing technologies are used, generating complex data. These datasets are often multiway, i.e., with more than two axes of variation such as a subjects by metabolites by time array. While tensor factorizations have successfully revealed interpretable patterns from such complex data, they have so far been mainly data-driven. On the other hand, there is more to data – there are computational models (of these systems), which are rich sources of prior information. In this paper, we introduce a knowledge-guided approach that brings together data and computational models by jointly analyzing real data and simulated data (generated using a computational model) using coupled tensor factorizations with linear coupling. Our experiments on real metabolomics measurements demonstrate that guiding the analysis of such noisy data with simulated data improves the pattern discovery performance while also revealing potential discrepancies between data and computational models.
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Machine Learning · Cross-listed from math.ST

Foundations of Independent Component Analysis

We present the mathematical foundations of linear independent component analysis (ICA) models based on standard literature in a self-contained note. It is aimed at readers with a background in measure-theoretic probability theory. We first develop the theory of the characteristic functions of probability measures on $\mathbb{R}^d$, including their analyticity and the way in which they determine and characterise the distributions. We then focus on several identifiability results of ICA models with successively strengthened assumptions on the sources: from merely non-constant, to non-Gaussian, to Gaussian-free independent sources. Under the strictest assumptions, we show that the independent sources are identifiable up to translation, permutation, scales and signs, and this even in the presence of additive Gaussian noise. Furthermore, we present the online equivariant gradient descent ICA algorithm for recovering the independent sources from data, in the standard complete noiseless non-Gaussian ICA setting.
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Machine Learning · Cross-listed from cs.AI

Capability Sheaves for Compositional Agent-Harness Repair: Controlled Quotients and a Real-Repository Stress Test

Agent harnesses combine retrieval, routing, state, provenance, and verification, but locally successful components may disagree on shared state. We model this failure with a finite capability sheaf: stalks encode typed behavior signatures, restriction maps retain shared fields, and accepted runs are useful global sections. An exact finite constraint-satisfaction problem (CSP) defines acceptance, while a linearized relative cohomology class provides a diagnostic and search feature. A controlled experiment over 20 task clusters introduces hidden interior mediators whose raw states are nuisance variables. Quotienting their coboundaries reduces the candidate budget from 2,000 to 1,000 per cluster; aligning the hidden state removes the gap. Exact CSP matches the quotient, so the result demonstrates invariance to stale representatives, not superiority over exact reasoning. We then test the method on a discovery split from the SWE-bench Multilingual pool of PatchFuseBench: 160 issues from 20 repositories, 875 real candidate patches, 2,579 source-aware edit atoms, and 153 newly executed patches. A first pool-level construction is constant because $[b-Dx]=[b]$ in $\operatorname{coker}D$ and therefore cannot rank configurations. A candidate-indexed repair is nontrivial on 848/875 candidates and varies within 120/160 issues. It resolves 118 issues versus 116 for a matched noncohomological selector, but the difference is not supported across repositories (exact sign-flip $p=0.75$). A leave-one-repository-out abstention gate reaches 127/160, tying the strong anchor and exceeding its matched gate by one issue ($p=1.0$). The discovery gate therefore fails and the confirmatory split remains sealed. The study supports the controlled invariance mechanism and an identifiability correction, but not a real-world cohomological advantage.
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Machine Learning

History-informed Lagrangian Neural Networks

Forecasting the long-horizon evolution of mechanical systems from position-only observations is a pivotal yet difficult task, as hidden velocities and trajectory-specific physical properties must be inferred simultaneously. Although physics-guided neural networks like Lagrangian Neural Networks (LNNs) guarantee physical plausibility, they generally require complete state inputs and lack adaptability to changing system parameters. To break these limitations, we introduce History-informed Lagrangian Neural Networks (HiLNN). Grounded in the insight that temporal position sequences implicitly encode underlying dynamics, HiLNN employs a recurrent encoder to extract a latent context from history. This context not only reconstructs the unobserved initial velocity but also adaptively modulates the mass matrix, potential energy, and damping coefficients of a structured Lagrangian system. By leveraging a differentiable RK4 rollout scheme, the entire pipeline is optimized end-to-end under multi-step trajectory supervision and energy-consistency regularization. Empirical evaluations across conservative, dissipative, and heterogeneous variable-parameter systems show that HiLNN delivers superior long-term prediction accuracy and maintains precise energy profiles compared to state-of-the-art baselines. The source code is publicly available at https://github.com/yingtian22/History-informed-LNN.
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All authors Tianshuo Zhang, Xianglei Xing, Wenzhe Zhai, Jia Gao, He Cao

Machine Learning

TANGCO: Learning Topology-Aware Capacity Allocation for Overload-driven Cascading Failures

Networked systems, from power grids to traffic networks and cloud clusters, carry loads across nodes with limited capacity. A node whose load exceeds its capacity fails and sheds its load onto its neighbors, which can trigger a system-wide cascade. We study how to allocate a fixed capacity budget across nodes to resist these cascades under local load redistribution. The problem is difficult because no optimal allocation is known, and the fail-or-survive objective is non-differentiable and piecewise constant, so exact and gradient-based optimization methods do not directly apply. We introduce TANGCO (Topology-Aware Neural Graph-Guided Capacity Optimization), which uses a graph neural network policy trained through the cascade simulator with policy-gradient learning and a heuristic anchor. We evaluate TANGCO on five synthetic graph families and five real networks spanning power, road, air, and Internet topologies. The learned policy improves on the best of four hand-designed heuristics in all 450 synthetic instances and in 40 of 45 real-network conditions, with robustness gains ranging from 1.6% to 246%. The learned policies transfer to unseen graphs within a family and partially across related topologies, and TANGCO$^{pre}$, pre-trained on synthetic graphs, matches per-network training on unseen real networks. Training scales near-linearly with graph size, and TANGCO$^{pre}$ allocates on a new network with no per-target training, matching the deployment cost of a hand-designed heuristic. Free-vector variants without the GNN, stay close to the heuristics, so the graph representation carries the gain beyond numerical search. Finally, analysis of the learned allocations identifies when local risk is sufficient, leads to an improved closed-form heuristic, and reveals the regimes where a topology-aware learned policy remains necessary.
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Machine Learning · Cross-listed from stat.ME

Chance-constrained selection of sequential intervention strategies from counterfactual estimates

Many operational decisions are sequences of interventions under a cumulative resource limit, such as a maintenance schedule within a crew-hour budget. Choosing among them calls for the outcome and the cumulative cost each would produce, counterfactual quantities identified from observational data. Two strategies with the same expected cost can exceed the budget at very different rates, so constraining the mean does not bound how often an overrun occurs. Prior two-step architectures, recently extended to continuous doses, constrain the mean cost rather than its tail and allocate at a single decision point. Methods that do bound a cost tail take its distribution from a specified model rather than identifying it from data. We present a predict-then-optimize framework. In the prediction step, any estimator returning an outcome value and a cost distribution supplies what the decision rule consumes, so the predictor is interchangeable. In the optimization step, a chance-constrained selection over a finite candidate set bounds the probability that the cumulative cost exceeds the budget. That tail does not decompose across stages, so each strategy is scored whole. Sweeping the tolerated violation probability traces a safety-utility frontier, and distribution-free finite-sample bounds cover violation and outcome shortfall. Four of five environments, spanning clinical treatment and equipment maintenance, supply exact counterfactual ground truth; the fifth carries real outcomes from a digital-health micro-randomized trial. Across them, the rule holds the budget where a point-estimate rule overruns it, at an outcome cost the frontier makes explicit. All code is available at https://github.com/mfriendly/counterfactual-chance-selection
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Machine Learning · Cross-listed from stat.ML

Sinkhorn Linearization and the Spectral Proxy: Unifying the Statistical and Algorithmic Theory of Feature-Parameterized Inverse Optimal Transport via a Single Spectral Sandwich

We develop the statistical and algorithmic theory of inverse optimal transport (IOT) under the feature-parameterized cost C_theta(i,j) = -theta^T phi(i,j). The core technical contribution is the Sinkhorn linearization – the implicit-function sensitivity of the entropic OT plan to the cost – together with its spectral proxy, a formula that is spectrally exact yet geometrically transparent. The restricted Hessian on the tangent space satisfies the spectral sandwich (pi_min/epsilon) I <= H_T^{-1} <= (pi_max/epsilon) I, yielding the single core bound sigma_min >= (pi_min/(a_max epsilon)) sqrt(lambda_min(Sigma)) that drives the entire theory. On this core we establish four theorems and one observation. T1 (identifiability): theta is globally injective on the quotient of the gauge kernel, with dimension bound F <= (K-1)^2. T2 (sparsistency): the l1-penalized estimator recovers the true support under irrepresentability and score concentration, with exponential failure probability. T3 (well-posedness): the feature-moment map M(theta) = Phi^T x_theta is strongly monotone, and the inverse is Lipschitz with constant L <= epsilon ||Phi^T S_a||_op / (pi_min lambda_min(Sigma)). T4 (convergence): local strong convexity with mu >= pi_min^2 lambda_min(Sigma) / epsilon^2 guarantees monotone gradient descent convergence. O5 (misspecification): the estimator converges to the OT-model projection of the truth; the Holder continuity of the projection map is assessed numerically, yielding setting-dependent empirical exponents alpha_eff in (0,1).
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All authors Han Dong, Jiaming Li, Yongqiang Gong, Ruixi Li, Yin Liu

Machine Learning

Beyond Simulated Benchmarks: Evaluating Motion Representations for Fall Detection Under Real-World Data Scarcity

Falls are a major health concern for older adults, and wearable sensors have been widely explored for detecting falls and enabling timely intervention. However, real-world falls are extremely rare: collecting 100 of them requires an estimated 100,000 days of monitoring, resulting in severely limited labelled data for training machine learning models. Consequently, many approaches rely on simulated datasets, often reporting high laboratory performance but limited real-world generalisation. We present a systematic evaluation of motion representations for wearable fall detection under real-world data scarcity. Using accelerometer signals, we compare interval-based, kernel-based, symbolic, and foundation model representations. As an interpretable baseline, we additionally investigate a lightweight symbolic representation that converts short motion segments into symbolic sentences augmented with physically-grounded impact descriptors. Experiments use FallAllD, a simulated falls dataset, and FARSEEING, a clinically verified real-world falls dataset. Through cross-validation, controlled data scarcity, and cross-dataset transfer, we examine how representation choices affect robustness under realistic deployment. Our results reveal that highly parameterised kernel and foundation models excel on simulated data but degrade severely under both data scarcity and domain shift. Although the interval-based representation achieves the strongest absolute real-world performance, augmenting a symbolic representation with physically-grounded impact descriptors yields the smallest degradation under domain shift and retains detection sensitivity under extreme scarcity, albeit at lower precision. These findings highlight the importance of evaluating beyond simulated benchmarks and show that representation choice is critical for deployable fall detection given the scarcity of real-world data.
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All authors Timilehin B. Aderinola, Ilaria D'Ascanio, Luca Palmerini, Lorenzo Chiari, Jochen Klenk, Clemens Becker, Brian Caulfield, Georgiana Ifrim

Machine Learning

ProME: Prototype-Margin Environments with Repair-Aware Selection for Group-Robust Learning

Group-robust learning is crucial for maintaining accuracy on rare subpopulations when training-group labels are unavailable. However, existing methods often infer environments from a separate reference model and select representations before fitting the classifier used at deployment, leaving both decisions misaligned with the deployed predictor. In this work, we formulate group robustness without training-group labels as the endogenous environments with repair-aware selection (ERAS) problem, and propose ProME (Prototype-Margin Environments) to align both decisions with the deployed predictor. ProME splits prototype margins at their median to construct approximately balanced environments along the training trajectory, and fits a group-balanced linear head on group-annotated validation data to rank the resulting predictors by validation worst-group accuracy. We theoretically bound the worst risk across the inferred environments for a fixed predictor and partition, showing that this bound transfers to the oracle groups under an explicit alignment condition. Extensive experiments show that prototype margins enrich shortcut-conflicting examples, classifier repair reshapes candidate evaluation, and ProME achieves the highest average worst-group accuracy among the compared methods with the same group-label access.
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All authors Qianqian Wang, Yunshan Li, Dawei Huang, Wenwu Gong, Lili Yang

Machine Learning · Cross-listed from stat.ML

High-dimensional networks and mean squared error for possibly misspecified models

To avoid missing important variables and their connections in networks, more and more variables are included in network analysis. Here we show that in a setting with many more parameters than observations (high-dimensional) it is possible to get a conservative (i.e., low false positive rate) estimate of the neighbourhood for each node (which connections are in the network). A neighbourhood is often estimated with a linear model, and this leads to two interesting cases: (i) If the true model is linear, then neighbourhood selection work reasonably well, and (ii) if the true model is nonlinear, then neighbourhood selection requires a penalty for the high dimensions. Here we show the impact of the ridge parameter on the mean squared error, and how this leads to low test variance and hence to neighbourhoods with large numbers of edges. We connect these insights with results from machine learning, where the so-called double descent (when more parameters are included than observations, the mean squared error goes down a second time) has put the traditional view on model selection upside down. Essentially, for adequate neighbourhood selection in models with a large number of parameters, the volume of the model space needs to be included in the penalty. Most neighbourhood selection methods (e.g., Lasso, AIC, BIC) lead to spurious edges (high false positive rate), but we prove that in the high-dimensional setting, minimum description length leads to correct neighbourhood selection or smaller (low false positive rates) in both cases when either the model is correctly or incorrectly assumed linear
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Machine Learning · Cross-listed from cs.CV

TRAPSBench: Vision-Language Models Encode but Fail to Express Epistemic Restraint

When visual evidence is occluded or chaotic, models should abstain. In this paper, we show that Vision-Language Models (VLMs) can internally distinguish when abstention is required, but fail to express it anyway. We introduce TRAPSBench, a procedurally generated video benchmark of 1,404 matched physics pairs in which a single targeted change renders the outcome undeterminable from the visual evidence. Furthermore, we introduce Penalized Epistemic Calibration Score (PECS), a new robust metric that requires models to both answer correctly when the outcome is knowable, and abstain when the outcome is not. Across 16 VLMs spanning five families, spontaneous restraint is poor: the best PECS is 0.292. The bottleneck is expression, not perception: linear probes decode answerability from hidden states at up to 0.91 AUROC across physics domains; steering a single-layer void direction causally induces or suppresses abstention. Our results replicate across three open-weight families (Qwen, Gemma, LLaVA). The failure is also more pronounced in visual than textual uncertainty: models detect textual impossibility about 4x more readily than missing visual evidence. Closing this representation–output gap likely requires output-stage interventions.
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Machine Learning · Cross-listed from cs.CV

MergeOver: Post-Training Token Merging for Recursive Vision Transformers

Vision Transformers (ViTs) demonstrate exceptional performance in computer vision but suffer from large parameter counts and quadratic computational complexity, severely limiting their deployment on resource-constrained edge hardware. While recursive weight-sharing reduces parameter counts and token merging mitigates computational and memory bottlenecks, integrating these two paradigms without costly retraining is non-trivial, leaving this intersection largely unexplored. We propose MergeOver, a post-training approach that integrates Token Merging (ToMe) into the recursively weight-shared Sliced Recursive Transformer (SReT). Through an Unmerge tracking stack, constraint-safe merge-rate adjustment, and synchronised token-mass tracking across spatial permutations, MergeOver resolves the spatial and merging constraints of this integration. We further employ a stage-wise single-shot schedule that performs token reduction at the first block of each stage and maintains a fixed sequence length throughout its subsequent recursive iterations. Benchmarked on ImageNet-1K, our selected configuration reduces top-1 accuracy by 1.47 percentage points. On the GPU, it reduces peak activation memory by 37.3% and 38.4% at batch sizes 1 and 16, while throughput decreases by 21.7% at batch size 1 but increases by 21.7% at batch size 16. On a Raspberry Pi 5 (ARM CPU), it reduces latency by 2.4% and 17.6% at batch sizes 1 and 16. These results show that MergeOver can recover a meaningful part of the throughput and memory cost that recursive weight-sharing introduces, without retraining, and provides a baseline for combining token merging with hierarchical recursive transformers.
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Machine Learning · Cross-listed from stat.ML

Statistical Properties of Robust Learning under Distributional Shifts

Distributional shifts arise when the target deployment environment differs from the source environment that generated the training data. Robust learning frameworks such as Distributionally Robust Optimization (DRO) and Robust Satisficing (RS) aim to address this challenge, yet their finite-sample guarantees under such shifts, and their systematic comparison, remain underexplored: existing analyses typically establish guarantees either in the source environment or for adversarial worst-case performance over an ambiguity set. This paper instead studies generalization error in the target environment—the excess loss under the shifted target distribution. Our contributions are threefold. First, we derive finite-sample generalization error bounds in the shifted target environment for both DRO and RS. These bounds explicitly characterize the trade-off between reduced sensitivity to shift and the regularization penalty induced by each method's robustness hyperparameter, and they avoid the curse of dimensionality associated with Wasserstein empirical concentration. Second, when partial shift information such as shift magnitude or direction is available, we propose information-directed hyperparameter calibrations and compare the two methods given the same information. Under these calibrations, and in the partial-information regimes we study, DRO and RS exhibit complementary theoretical and empirical behavior. Finally, we apply the framework to a network lot-sizing problem, using it to interpret how robust policies respond to positive shifts in the demand distribution. Together, these results fill a gap in understanding the statistical properties of robust learning methods under distributional shifts and provide a principled basis for comparing DRO and RS.
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All authors Zhiyi Li, Xiaojie Mao, Yunbei Xu, Ruohan Zhan

Machine Learning

Branch and Bound for Relational Verification of Neural Networks

Verification of neural networks against relational specifications, such as global robustness, is crucial for safety-critical applications of cyber-physical systems (CPS), given their increasing adoption of AI components. Compared to simple trace properties (e.g., local robustness), verifying relational specifications requires reasoning about the relationship between multiple network inferences, which brings significant technical challenges. Existing research has explored abstraction techniques based on sound and convex over-approximation of neural network outputs; however, since these approaches are inherently incomplete and may raise false alarms, they further underscore the need of effective abstraction refinement. In this paper, we propose a branch-and-bound (BaB) framework to mitigate the issue, which iteratively splits the problem until all sub-problems are verified. Specifically, our BaB framework features splitting of relational neurons rather than individual neurons as prior works do, and as the core of our technique, we devise a relational neuron selection strategy based on the dual formulation of the verification problem, which allows us to efficiently select the (most likely) optimal relational neuron that maximizes the refinement brought by problem splitting. We evaluate SaBRe on 817 verification problems across ACAS Xu, MNIST-F, MNIST-C, CIFAR and GTSRB. The results show that SaBRe outperforms different baseline approaches, in terms of the number of solved instances and verification efficiency, which demonstrates the effectiveness of our proposed techniques.
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All authors Kota Fukuda, Zhenya Zhang, Guanqin Zhang, Jianjun Zhao

Machine Learning

FlowLOB: Efficient and Controllable Limit Order Book Generation with Flow Matching

Limit order book (LOB) simulators are most useful to practitioners when they combine realistic market dynamics, computationally efficient sampling, controllable scenario generation, and the ability to generalize beyond the instruments seen during training—properties that existing agent-based and deep generative simulators provide only partially. We present FlowLOB, a conditional flow-matching generator of LOB trajectories, trained on multiple Hong Kong Exchange (HKEX) symbols at three sampling frequencies ($0.1$s, $1$s, $10$s) in tick-relative representation that transfers to unseen instruments. Because flow and diffusion models admit a common formulation, we train both with identical data, architecture, and budget, and sample both through the same fixed-step ODE solvers, yielding a controlled comparison of sampling efficiency and fidelity. Flow matching attains its best quality with only $10$ ODE-solver steps, whereas diffusion needs many more function evaluations to approach the same fidelity. At this efficient operating point, FlowLOB improves realism over baselines, two learned and two agent-based models, in most distributional metrics at the two finer sampling frequencies. We evaluate counterfactual controllability with a distributional test that asks whether changing a scenario condition moves the generated statistic toward the corresponding real tail regime; FlowLOB satisfies this criterion in most tested settings. Both realism and control effects transfer zero-shot on a held-out symbol. We additionally conduct ablation studies on the network architecture and the learning rate.
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All authors Zhuohan Wang, Andreea Bacalum, Ollie Olby, Carmine Ventre, Namid Stillman

Machine Learning

Sampling Luck Masquerades as Allocation Gain: Auditing Test-Time Budget Allocation for Neural Combinatorial Optimization

Neural combinatorial optimization (NCO) solvers report the best of many sampled solutions per instance, and the sample count is, by convention, identical for every instance. Whether a non-uniform allocation of a fixed total budget would buy anything has not been measured. We measure it, and we audit the measurement itself. First, on in-distribution workloads the allocation headroom is not detectable. Across three pretrained solvers (POMO, AM, SymNCO) on uniform TSP-100, an oracle allocation computed and evaluated on the same stored samples reports a 2.2-2.6% gain with intervals excluding zero; measured out of sample the same gain is indistinguishable from zero (0.457, 0.015, -0.512 percent). Following the customary in-sample procedure, all three solvers would have supported a published 2%-level gain that does not exist. We calibrate this bias against an instance-wise null in which the true gain is zero by construction; over the ranges we test it does not shrink with more samples or more instances. Second, the same correction that removes the phantom gains preserves a real one. Under distribution shift (a workload mixing uniform and clustered instances), a pre-registered confirmatory experiment finds that allocation guided by held-out sample statistics improves best-of-k by 11.5% (AM, primary endpoint; 95% CI [7.4, 19.7]) and 12.0% (SymNCO, replication) at equal evaluation budget, with the signal-acquisition cost not charged; a pre-registered negative control (POMO, an order of magnitude more robust to shift) shows -0.3% [-0.7, 0.24]. The gain exceeds a frozen distribution-label baseline by 4.2 points [1.9, 7.7]. An exploratory policy charging a 20-sample probe against the same budget retains 3.4% (AM) and 4.6% (SymNCO). We give a correction procedure and a reporting checklist, and release all data, code, and the pre-registration record.
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Machine Learning

Constrained Graph Diffusion for Mixed Integer Optimization

This paper proposes a novel learning-based approach to approximately solve instances of mixed-integer optimization problems. These problems are computationally challenging, as they require jointly determining discrete and continuous decisions while satisfying complex combinatorial constraints. problem-agnostic and can accommodate a broad class of mixed-integer optimization problems through suitable projection operators. We introduce Constrained Graph Diffusion (CGD), a learning-based framework that approximately solves recurring instances of such problems by learning a conditional distribution over their discrete decisions. CGD uses a graph-based diffusion model and incorporates constraint information directly into the reverse diffusion process, steering intermediate predictions toward the feasible region throughout generation. By operating on continuous relaxations of the discrete variables, CGD defines a differentiable constrained generation pathway up to terminal discrete recovery. Once the discrete decision is recovered and fixed, a numerical optimizer solves the remaining continuous problem, avoiding online combinatorial search over the binary variables while retaining numerical optimization for continuous completion. We evaluate CGD on AC-OPF with branch switching and discrete portfolio optimization, demonstrating substantial improvements in feasibility and solution quality over learning-based baselines while achieving speedups of up to $543\times$ over state-of-the-art MIP solvers on large instances.
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All authors Vincenzo Di Vito, Yusuf Guven, Babak Badnava, Deepjyoti Deka, Kaarthik Sundar, Ferdinando Fioretto

Machine Learning

A Multispectral Framework for the Detection of Calcium Carbide-Induced Ripening and Shelf-Life Estimation in Climacteric Fruits

Significant health risks are associated with the illegal, yet commonly practiced use of industrial-grade Calcium Carbide (CaC2) for ripening climacteric fruits like mango and banana, which leaves behind trace residues of arsenic and phosphorus. To address this, the proposed study explores a novel, non-invasive multispectral framework for distinguishing safely ripened fruits (naturally ripened and ethephon-induced) from calcium carbide-ripened samples, while also estimating their ripening progression (in percentage) and remaining shelf life (in days). The spectral profiles of mango (Mangifera indica) and banana (Musa acuminata) at 18 discrete wavelengths in the visible-near infrared (NIR) range (410 nm - 940 nm) are studied using the AS7265x spectral triad sensor. CaC2-treated samples exhibit sharper spectral intensity drops in the visible region, consistent with accelerated chlorophyll degradation and carotenoid development. To characterize these physiological changes, the feature engineering strategy integrates inter-method spectral variance, intensity ratios at distinct wavelengths, and environmental parameters including temperature and humidity. Dimensionality reduction using Principal Component Analysis (PCA) retains >90% of spectral variance within the first 5-7 components. The resulting feature set is used to train three independent eXtreme Gradient Boosting (XGBoost)-based learning algorithms for ripening method classification, along with quantitative estimation of remaining shelf life and ripening progression. A classification accuracy of 95% along with carbide class recall of 0.67 is observed for mango samples, while the model achieves an accuracy of 81% and carbide class recall of 0.74 for banana. This instrumentation and data-driven approach demonstrates the effectiveness of the proposed non-invasive framework.
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All authors Gurbhit Chaurakoti, Harshit Kumar, Hani Kumar, Anurag Singh, Ram Asrey