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Thursday 24 September

Machine Learning

Benchmarking the Connectomes of Caenorhabditis elegans within the Reservoir Computing Framework

The aim of this work is to examine the connectomes of Caenorhabditis elegans through a computational lens using the reservoir computing framework. Connectomes are mappings of biological neural networks; C. elegans is the first organism for which physical connectomes covering the whole nervous system have been published. The connectomes of C. elegans used in this paper have been derived at different ages of the organism and are based on three different ways of measuring inter-cellular connections. They have, with minimal preprocessing, been implemented as reservoirs in the form of echo state networks, which are recurrent neural networks. In reservoir computing, the reservoir itself is not trained, rather the output of the reservoir is passed to a comparatively small read-out module in which training takes place. Training and testing is conducted in different neuro-inspired tasks, with the aim of using these tasks as a benchmark for the connectomes. This process has been repeated with different configurations of the reservoir and equally sized but randomized null models have been used for comparison. The results show that the biological wiring and a bio-informed configuration of input and output nodes of the reservoirs do not necessarily lead to better performance. Contrarily, the randomized null models are often outperforming the original connectomes on the chosen benchmarks. At the same time it becomes clear that the results depend a lot on the configuration of the reservoir and the way the connectome has been derived from the organism. Connectomes from different ages may produce varying outcome, without a clear trend becoming visible.
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All authors Felix S. Reimers, Ola Huse Ramstad, Aliaksandr Hubin, Stefano Nichele

Machine Learning

Federated Targeted Maximum Likelihood Estimation

The evidence behind a scientific or operational decision is often held by hospitals, banks, or registries that cannot pool individual observations. Cross-silo federated learning moves computation to the data and exchanges agreed summaries. Targeted maximum likelihood estimation (TMLE) refines a flexible initial fit, yielding plug-in estimators that respect the model and support efficient inference. TMLE itself, however, has remained a fully centralized procedure. To fill this gap, our paper introduces the first federated TMLE algorithm. We federate targeting itself, for an arbitrary target, loss, and fluctuation family, through two complementary frameworks. FedTMLE-G aggregates local gradients and reproduces centralized targeting step for step. FedTMLE-L lets each institution complete its own fluctuation fit before a single exchange of fitted updates, trading synchronized fidelity for local autonomy. For gradient aggregation, we develop a finite-precision protocol that transmits changes rather than values and certifies targeting accuracy within explicit bounds on exchanges and bits. A description-length analysis of the accepted updates then shows that this finite communication leaves numerical targeting error negligible against sampling uncertainty. The cost of computing an estimator is thus distinct from the complexity of selecting it. Our analysis also indicates that keeping data local is not itself a privacy guarantee of TMLE, since instability of full-record reconstruction need not prevent recovery of a specified sensitive attribute. For a personalized version of local averaging, institutions retain their own estimates and leave once local targeting is complete. A nonconvex convergence bound charges the improvement forfeited through averaging to disagreement among local fits and exposes a tradeoff between equal institutional influence and the sampling variability of small silos.
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Machine Learning

To Solve Bilevel Optimization with Nonconvex Lower Levels, We Need Second-Order Stationarity

Although bilevel optimization (BLO) has emerged as a powerful framework for addressing many complex and nested machine learning problems in recent years, most existing studies are confined to the lower-level strongly convex (LLSC) or lower-level generally convex (LLGC) settings (i.e., the lower-level objective function is assumed to be, at least, convex). While the LLSC/LLGC assumptions render more tractable algorithmic design and theoretical analysis, they are too rigid to encompass many machine learning problems in practice. The limitations of LLSC/LLGC assumptions in BLO motivate us to investigate solving the BLO problem in the general lower-level nonconvex (LLNC) settings, which remains in its infancy. In the literature on LLNC-BLO, most of the existing works either require additional structures in the lower-level objective function for tractable theoretical analysis, or adopt the first-order stationarity reformulation as a lower-level surrogate problem, which is inherited from the LLSC/LLGC settings but could lose their effectiveness in the LLNC setting. To bridge this gap, we propose to reformulate the nonconvex lower-level problem using a second-order stationarity-based surrogate, the solution of which guarantees a local optimal solution at the lower level. Based on this reformulation, we propose the PROBE (Perturbed gradient algorithm for bilevel problem) and show that it overcomes the limitations of prior works by probing and escaping lower-level saddle points. We prove that PROBE achieves a finite-time convergence rate of $O(T^{-2/5})$, where T denotes iterations. To our knowledge, this work is the first to establish the finite-time convergence for achieving lower-level second-order stationary solutions in general LLNC-BLO. Our experiments on both a large language model-based data curation task and a meta-learning task also show that PROBE outperforms SOTA methods.
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All authors Zhiyao Zhang, Menglu Yu, Alvaro Velasquez, Nathaniel D. Bastian, Jia Liu

Machine Learning

PolicyAttention: Softmax Attention Implements Policy Mirror Descent for Closed-Loop Control

Can causal softmax attention implement policy mirror descent as a repeated controller rather than a one-step algebraic identity? Negative-entropy policy mirror descent (PMD) has the statewise update $\operatorname{PMD}_\eta(\pi,Q)=\operatorname{softmax}(\log\pi+\eta Q)$. Building on the known Q-TD-PMD recursion, we construct one fixed causal-softmax actor–environment–one-step-critic protocol with explicit actor, routing, sampling, and normalization residuals, and propagate them to the policy actually returned. The construction states the finite-logit/full-support domain, the external tokenization and sampling boundary, and the mean-zero LayerNorm carrier conditions required by the normalized compilation. Separately trained pre-LN Transformers recover the target computation empirically. A frozen one-step audit model is closest to PMD among the tested fixed rules; in a preregistered five-run $S=4$ repeated-control test, the learned actor with an exact one-step critic reaches median returned-policy loss $1.052\times$ the Exact PMD oracle and retains the criterion across four no-retraining shifts. The same checkpoints with their learned critic give descriptive median $1.050\times$ the oracle (no registered margin). At $S=8$, replacing the exact critic by the learned critic raises median $T=20$ loss to $0.0225$ yet leaves the Liang–Lai and Algorithm Distillation adaptations $20.2$–$24.2\times$ higher-loss; this is a one-sided sampled-critic bound because PolicyAttention consumes 144 generative transitions per round versus 20 on-policy transitions for the adaptations. The strict 20-transition comparison remains open. At $S=8,16$, the exact-critic common-harness comparison remains $17.7$–$28.2\times$ lower-loss than those adaptations, with the information asymmetry stated locally.
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Machine Learning · Cross-listed from stat.ML

Ordinary Nonconvex SGD under Distance-Dependent Moments: Finite-Horizon Stationarity and Nagaev Bounds

Uniform noise-moment bounds exclude stochastic gradients whose variability increases with the iterate. We study ordinary, single-sample stochastic gradient descent for smooth, lower-bounded, possibly nonconvex objectives under distance-dependent conditional moments. Under second moments alone, a direct descent–displacement argument yields $T^{-1/3}$ expected average squared-gradient stationarity with a horizon-dependent stepsize. An explicit oracle-complexity corollary matches the known smooth Blum–Gladyshev (BG-0) lower bound, including the $Lb_2\Delta^3\varepsilon^{-6}$ and $L\Delta\sigma^2\varepsilon^{-4}$ stochastic terms, where $\Delta$ is the initial objective gap and $\sigma^2+b_2\|x-x_1\|^2$ bounds the variance. Thus unchanged SGD attains the minimax stochastic complexity in this second-moment class. For $p>2$, predictable localization and a Hilbert-space Fuk–Nagaev inequality yield a high-probability bound separating logarithmic variance and polynomial rare-shock contributions. The localization radius is derived from the recursion: no bounded-iterate assumption, clipping, normalization, momentum, or increasing batch size is needed. We also give increasing-confidence rates, an objective-gap-growth refinement recovering root-$T$ stationarity, and stochastic $L^p$-Lipschitz examples. The broad BG-0 optimality statement is distinguished from the smaller mean-square-smooth class, in which additional oracle structure permits faster algorithms.
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Machine Learning

Learning to Bias: Machine Learning-Enhanced Particle Filters

Sequential inference estimates latent states from noisy and incomplete observations. Particle Filters (PFs), a class of Monte Carlo methods based on importance sampling, provide a flexible framework for this task, but often suffer from poor sample efficiency and unfavorable scaling with dimension, partly due to suboptimal proposal distributions. We address these challenges by integrating learned proposals into the PF framework. We introduce Neural Optimal Particle Filters (NOPFs), which learn an amortized approximation to the optimal proposal from offline simulated one-step conditioning tuples. The learned proposal is used as a drop-in replacement in standard PF updates, with samples corrected by standard importance weights so that the method asymptotically targets the same filtering distribution under standard support and density-evaluation assumptions. Across stochastic nonlinear benchmarks of varying inference complexity, NOPFs improve sample efficiency and distributional accuracy over standard PF baselines with modest computational overhead. The approach integrates data-driven proposal learning into classical inference without altering the underlying filtering objective.
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Machine Learning

Geometric Feature Learning for Functional Data Valued on the Symmetric Positive Definite Manifold

We here develop a functional neural network, termed MatFAE, for learning trajectories on the Riemannian manifold of symmetric positive definite (SPD) matrices. MatFAE features intrinsic layers that map manifold-valued functions to Euclidean vector-valued functions, followed by a functional layer that projects them into a finite-dimensional Euclidean space. Unlike most neural networks for discrete-time sequences, MatFAE treats each sequence as a continuous function and can therefore encode trajectory dynamics (e.g., first-order derivatives) in its latent representations. Additionally, the morphology of the functional weights in the functional layer offers interpretability by revealing the regions of the input functional data that contribute most to the latent representations. We justify the design principles and properties of each intrinsic layer and detail how matrix factorization is handled during backpropagation. We apply MatFAE to a range of fMRI datasets, demonstrating its ability to efficiently learn informative representations from high-dimensional SPD trajectories and its practical value for real-world neuroimaging analysis.
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Machine Learning · Cross-listed from cs.AI

Do LLMs Understand Context? A Knowledge Graph-Based Evaluation Framework

While large language models (LLMs) have achieved remarkable linguistic capabilities, a profound question lingers at their core: do these models truly comprehend context or simply excel at pattern matching on an unprecedented scale? Contextual understanding in LLMs refers to the ability to correctly extract relevant information from a given context, integrate it into a coherent internal representation, and reason over it to produce factually consistent and contextually grounded responses. However, traditional methods such as BiLingual Evaluation Understudy (BLEU) and perplexity simply measure surface-level performance. This reveals a critical gap in question answering (QA), where responses must be contextually grounded rather than simply being memorized associations. To fill this void, we propose a novel knowledge graph (KG) based evaluation framework for LLM contextual understanding in QA. Central to this is Semantic Structural Similarity for KGs (S3KG), a hybrid similarity measure combining structural and semantic signals into a single score. In addition, a diagnostic analysis framework is developed to identify and categorize reasoning errors at the triplet level, enabling fine-grained analysis of model failures. Together, across nine benchmarks, S3KG achieves F1 gains of up to $+7.6$ points over the strongest baseline and AUROC up to $0.973$.
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All authors Subavarshana Arumugam, Mamta Nallaretnam, Kithuni Wickramasinghe, Chamath Gunapala, Pragatheeswaran Vipulanandan, Kamal Premaratne, Uthayasanker Thayasivam

Machine Learning · Cross-listed from cs.SD

AcoustiClaim: A Numeric Claim Benchmark with Instrument Ground Truth

Audio language models state numbers for acoustic quantities, and neither human opinion nor a judge model says whether such a number is true of the signal. AcoustiClaim extracts each numeric claim from free text, scores it against the instrument that defines the quantity, and classes each quantity by where its reference can be read. Four open-weight systems and one closed model, asked for ten quantities five ways on two corpora, fill 207 cells. Of these, 49 emit fewer than five distinct values, and eight of the 158 cells that can be ranked exceed a rank correlation of 0.3, the bar we set, three with an interval clear of it, five of them one closed model reading pitch. Error sits at or above a constant-predictor floor in every ranked cell but three. The reference decoder we train declines the five voice quantities in prose on 95% of mixtures, with nothing withheld, and states them on the clean twins, reproducing its targets' rule from audio alone. With a calibrated threshold, withholding lowers error on all ten quantities on the mixtures in the mean and on eight at every split, against at most 0.6% from a random selector. A linear baseline orders errors at least as well as ours. F0 s.d. and shimmer stay above the constant floor.
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All authors Sheng-Tse Lin, Siyuan Zhai, Chien-Liang Kuo, Massa Baali, Bhiksha Raj

Machine Learning · Cross-listed from math.ST

Scaffold-Constrained Subset Dynamic Programming for Exact SSE Clustering

Exact Euclidean \(K\)-means partitions \(n\) observations into \(K\) unlabelled clusters, but the unrestricted search is generally exponential. We use data-derived geometric graphs to precondition an exact subset dynamic program: as a result only connected vertex subsets are admitted as clusters, while sum-of-squared-errors (SSE) loss is unchanged. A remaining-set recurrence minimises fixed-\(K\) or penalised SSE, with exact factorisation over the connected components of each remaining set. The central question we study is how much computational support can be removed while preserving an unrestricted optimum. Graph inclusion gives monotone coverage and support relations, and a bottleneck threshold identifies the first covering graph in a nested hierarchy. For fixed \(K\) and dimension, under compact ball support and density bounds, retaining \(q=O(\log n)\) nearest neighbours per observation preserves an empirical SSE optimum with probability tending to one, using an \(O(\log n/n)\) fraction of complete-graph edges. Truncated Gaussian mixtures with unequal weights and covariances satisfy these conditions. The rate we provide is a sufficient upper bound rather than a result implying polynomial optimisation complexity. Objective-matched synthetic and full-data comparisons assess coverage, compression, and reference-label agreement. As a secondary application, we illustrate how the proposed scaffold preconditioning can be utilized to improve the efficiency of split-merge proposals that preserve unrestricted mixture posteriors.
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Machine Learning

Mentored Decoding: Faster Inference meets Boosting

Speculative decoding is a successful technique speeding up inference of a target autoregressive language model via a fast drafter model. Lossy speculative decoding allows a drift with respect to the target to further improve speed. Interestingly, it has been observed experimentally that the resulting model can $\textit{also}$ beat the target $\textit{quality-wise}$. Our paper formally proves how such a feat is possible with a formal approach to lossy speculative decoding called $\textit{mentored decoding}$. To get there, we connect inference to a celebrated ML training theory, $\textit{boosting}$, and proceed via the generalization of mentored decoding to the whole set of $f$-divergences. We uncover key properties of mentored decoding, among which (i) the particularly appealing geometric nature of the total variation case, (ii) simple approximations for any $f$-divergence in direct relation with boosting compliance, and (iii) a $\textit{divergence independent}$ $O(n)$ space and $O(\mathrm{sort}(n))$ time data structure built on drafter and target outputs, which allows to query the optimal parameters of the dual problem in $O(\log n)$ time and constructing optimal mentored distributions in $O(n)$ time for any $f$-divergence.
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Machine Learning

Moment-guided edge sampling

Edge sampling makes local decisions to achieve graph-level objectives, such as preserving structural properties. This creates a fundamental challenge: how can the effect of a local edge edit (i.e., edge addition or removal) on global graph structure be quantified and controlled? We address this challenge with a moment-guided edge sampling framework based on spectral moments of the random-walk transition matrix. We compute exact moment changes through two complementary methods: a combinatorial method with closed-form updates for low-order moments, and a low-rank method that exploits locality and cyclic trace invariance to compress computations to edited endpoints, supporting arbitrary moment orders and batched edits. For single-edge edits at fixed moment orders, the low-rank method reduces the cost from $O(mn)$ to $O(m)$, while the combinatorial method evaluates low-order changes in constant time given maintained local statistics. These moment changes provide interpretable structural signatures of local edge motifs that aggregate into graph-level fingerprints. This structural meaning motivates us to ask whether preserving moments also preserves the graph properties. We further derive and validate that moment-preserving sampling can retain related structural properties, including triangle-weighted clustering coefficient. These structural insights enable analysis and improvement of graph learning: different edge structures have distinct effects on supervised node classification, while moment-guided augmentation is competitive for graph contrastive learning. Together, these findings establish moments as an interpretable and controllable bridge from local edge edits to global graph structure and learning.
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Machine Learning · Cross-listed from cs.CL

CARGO: Context-Aware Retrieval-Gated Evaluation of Agentic AI in Production

Reference-based LLM-as-a-judge evaluation assumes the reference answer is the target. In deployed agentic systems that operate over dynamic entities (support cases, assets, accounts), the closest available reference typically applies the correct procedure to a different entity, so a literal judge penalizes different identifiers, dates, and statuses as errors or hallucinations. We name this failure mode reference-instance divergence (RID). We propose CARGO, a framework that (i) treats retrieved references as procedural exemplars and grounds factual judgments in the live instance's observed context, (ii) assigns each claim a three-way status (supported, contradicted, unverifiable) and penalizes only contradictions, and (iii) gates evaluation by retrieval confidence, casting production evaluation as selective prediction. We introduce CARGO-Bench, a perturbation-based diagnostic suite with ground truth by construction that separates leniency from discrimination. On CARGO-Bench (246 items, two judge models, 7,872 judgments), the standard reference-based judge penalizes 100% of correct entity-transplanted answers and is uninformative (discrimination index DI ~ 0); supplying the live facts without reframing changes nothing. CARGO eliminates these false penalties (0/50) while retaining near-complete contradiction recall (50/50 and 49/50), raising DI to 0.58 [0.48, 0.68]; a rubric-swap control attributes most of the effect to context-grounded dimension definitions. CARGO also exposes a limitation of its own design: the leniency that protects entity values suppresses detection of procedural corruptions (20% recall). A post-hoc fix does not close the gap, and an LLM-as-annotator study with written guidelines and adjudication shows the same blind spot. We release a preregistered protocol for extending the evaluation to expert agreement, risk-coverage, and cost on production traffic.
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Machine Learning

Reliability-aware Cross-sample Enhancement for Robust Multimodal Sentiment Analysis

Multimodal Sentiment Analysis (MSA) aims to infer human emotions from multiple modalities such as text, audio, and vision. In practice, inputs are often corrupted by noise and missing modalities, which degrades performance. Existing methods typically address these challenges in isolation, limiting their effectiveness in realistic settings. To address this limitation, we propose a Reliability-aware Cross-sample Enhancement (RCE) framework. Specifically, RCE first introduces an adaptive variational information bottleneck to model modality-wise uncertainty and perform quality-aware information compression, thereby suppressing redundant noise in unreliable modalities. Furthermore, we design a reliability-aware cross-sample enhancement strategy that retrieves high-confidence, semantically consistent neighbors from a large candidate pool to enrich and calibrate current representations, effectively alleviating information deficiency caused by missing modalities. Building upon this, RCE integrates cross-modal interactions with a multilevel reliability-aware fusion mechanism to adaptively aggregate information across modalities and enhancement stages, leading to more robust multimodal representations. Extensive experiments demonstrate that RCE consistently outperforms state-of-the-art methods across full, noisy, and missing-modality settings.
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All authors Menghua Jiang, Haokai Gao, Xiangui Kang, Haifeng Hu, Sijie Mai

Machine Learning

RAZOR: Pruning Replaceable Experts in LLMs

Mixture-of-experts (MoE) models activate only a few experts per token but store the entire expert pool. Pruning this pool requires identifying experts whose removal preserves model behavior. Routing frequency and output magnitude do not fully describe deletion damage, which also depends on how the surviving and replacement experts compensate for the removed output. We introduce RAZOR, a training-free pruning method based on consensus residuals, the deviations of expert outputs from their original weighted mixture. At a fixed layer input, these residuals give the exact output change for a single deletion under survivor renormalization and router refill. RAZOR aggregates this damage by conditional root mean square and selects experts under a layerwise budget using forward computation alone, without gradients, subset search, or recovery training. Against frequency, activation-norm, and REAP baselines on GLM-4.7-Flash and Qwen3.6-35B-A3B at 25% and 50% expert removal, it attains the highest macro average over nine reasoning-intensive tasks in all four model-budget settings, gaining 2.12-5.59 points over REAP and lowering reverse KL in all four. On DeepSeek-V4-Flash-0731 and Hy3, it also achieves the highest macro average among the three residual criteria. Local exactness does not guarantee better joint pruning. Generation analyses show changes in diversity, formatting, and termination despite higher task scores.
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Machine Learning

Auditing System-1 Models on Biosecurity-Relevant Benchmarks: Calibration, Selective Prediction, and Permutation Instability in a Non-Generative Model

Non-generative "System-1" models return structured probabilistic decisions in a single forward pass, without autoregressive decoding, at a small fraction of the inference cost of a generative model. This makes them of interest as inexpensive components in larger pipelines, but their reliability on biosecurity-relevant tasks has not been systematically examined. We audit one commercial System-1 model on 6,020 multiple-choice items drawn from the Weapons of Mass Destruction Proxy (WMDP), a paraphrase-robust WMDP-Bio variant, and six LAB-Bench subtasks, measuring accuracy, calibration, error detection, selective prediction, and sensitivity to the order in which answer options are presented. Accuracy is strongly task-dependent. Once the vendor's uncertainty field is correctly interpreted, the model is reasonably well calibrated (pooled expected calibration error 0.034) and its top-1 probability separates correct from incorrect predictions (pooled AUROC 0.820), though both degrade substantially on the weaker tasks. Under four cyclic rotations of the answer options, 37.4% of WMDP-Cyber items receive different answers; a control using byte-identical repeated calls attributes most of this to option order rather than run-to-run variation. Averaging probabilities across rotations improves WMDP-Cyber accuracy by 3.8 percentage points, and applying it only to low-confidence items recovers most of that gain at well under the cost of averaging every item.
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Machine Learning · Cross-listed from stat.ML

Bayesian Uncertainty Quantification for fMRI Functional Connectivity via Simulation-Based Inference

Optimizing fMRI scan duration and spatial resolution is critical for experimental design, yet traditional correlation-based approaches cannot quantify uncertainty or disentangle scanner measurement noise from true neural variability across subjects. Without principled uncertainty bounds, researchers cannot know whether a protocol is long enough to reliably estimate connectivity, or whether between-subject differences reflect biological variation or noise. We present a Bayesian framework modeling BOLD dynamics as coupled Ornstein-Uhlenbeck processes, using Sequential Neural Posterior Estimation to obtain connectivity posteriors while accounting for frequency-independent measurement noise across the BOLD spectrum. Applied to N = 28 healthy controls (55 scans) at 7T using a functional network atlas (65 DMN regions), the framework quantifies uncertainty across its sources: scanner noise, subject variability, and acquisition length. Spatial analysis identifies a mean of 46 voxels per ROI, roughly half of typical region sizes, as sufficient to achieve 90% of asymptotic precision. At the single-subject level, 7T reaches its within-session precision plateau in approximately 7 minutes versus 10 minutes for 3T, a 40% reduction in required scan time, providing the first direct, model-based quantification of the scan-time advantage conferred by higher field strength. At the population level, 3T requires roughly 37 times more per-subject scan time than 7T for the pooled curves to converge, confirming a consistent advantage of higher field strength at every timescale. Together these findings provide concrete, scanner-specific guidance for protocol optimization, with direct implications for reducing acquisition costs and improving the reliability of connectivity-based clinical biomarkers. We provide code enabling researchers to derive these bounds from their own data.
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All authors Simon Carter, Zeming Kuang, Lilianne R. Mujica-Parodi, Helmut H. Strey

Machine Learning

Improving Molecular-Morphology Contrastive Pretraining using Deep-Learning-based Morphology Profiles

Recent advancements in image-based profiling techniques have enabled the collection of high-volume cell morphology data, allowing new molecular embedding models to learn from the experimental phenotypic perturbations of a molecule in a cell. Previously, we developed Molecule-Morphology Contrastive Pretraining (MoCoP), a strategy for aligning small molecule embeddings to morphology fingerprints extracted through CellProfiler. The resulting molecular representation showed transferable performance for quantitative structure–activity relationship (QSAR) prediction tasks. Here, we extend the method by using a deep-learning-based cell image encoding pipeline to extract more feature-rich morphology profiles and align them to the molecular embeddings through contrastive learning. The new embeddings encode more accurate information on how molecules perturb cell morphology and enable improvements for QSAR predictions through either fixed-embedding linear probes or fully flexible fine-tuning. Morphology retrieval performance scales log-linearly with training data size, suggesting continued improvements as larger datasets become available. The improved MoCoP v2 also achieves superior performance on toxicity prediction and competitive results on ADME and activity benchmarks, when compared with existing molecular embedding models that use both cell morphology and transcriptomic data during training.
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All authors Jie Li, Kathryn E. Kirchoff, Dante A. Pertusi, Zhizhuo Zhang

Machine Learning

Fake News Theories: Harnessing Disciplinary Insights for Computational Modeling, Detection, and Explanation

Disinformation research has produced increasingly accurate automated fake-news detectors, but many systems remain difficult to interpret and are weakly connected to established theories of persuasion, credibility, and human judgment. In this paper, we develop a theory-informed computational framework that translates cross-disciplinary theories of fake news into measurable features for automated detection and explanation through statistical techniques and large language models. To that end, we conduct a structured cross-disciplinary review of theories from social sciences, psychology, economics, among other disciplines that reveal how fake news persuades and spreads, thereby establishing a broad theoretical foundation for computational modeling. Experiments on benchmark datasets show that theory-derived features are predictive and provide interpretable, theory-referenced diagnostic signals. Multi-feature models generally outperform individual features, although gains among the strongest small feature combinations are modest. Our work highlights the value of interdisciplinary perspectives in building robust and interpretable fake news detection systems, advancing the foundation for human-centered approaches in combating disinformation.
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Machine Learning

Electric Vehicle Charging Station Location Selection using Geospatial Artificial Intelligence (GeoAI)

As electric vehicle (EV) adoption increases, ensuring efficient and well-distributed charging infrastructure has become a critical challenge. While many EV charging station location problem (CSLP) studies focus on minimizing costs or travel distance, it is crucial to consider the surrounding geospatial characteristics of existing stations that influence operational performance. This study proposes a geospatial artificial intelligence (GeoAI)-based framework that integrates high-dimensional EV-related geospatial data, including EV usage, land-use, population, and traffic attributes. We incorporate a variational autoencoder (VAE) and a graph convolutional network (GCN) into the model to capture similarities among existing charging stations, and to identify suitable locations for future stations. The VAE compresses high-dimensional EV input data into a low-dimensional latent space, and the GCN uses this latent representation to predict locations suitable for charging stations. Using real-world data from Bryan-College Station, Texas, US, the proposed model outperforms state-of-the-art baselines, achieving an F1-score of 0.87 in distinguishing existing station locations from non-station locations. The model also identifies 27 additional candidate locations that show geospatial characteristics similar to those of existing stations, based on a similarity score. We further evaluate two policy implementation scenarios, maximizing geospatial similarity and minimizing total travel distance, each yielding different outcomes aligned with distinct strategic objectives. The findings highlight the importance of incorporating spatial context into CSLP and provide valuable insights for future EV infrastructure planning, promoting both efficiency and accessibility in the rapidly growing electric mobility sector.
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Machine Learning

Adaptive Multi-Value Control in LLMs via Causal Activation Steering

Large language models (LLMs) are increasingly deployed in settings where responses must reflect multiple, potentially interacting social norms and human values. Activation steering offers a lightweight alternative to training-based alignment by modifying internal activations at inference time. However, prior human-value steering methods have largely considered values in isolation, while direct composition of multiple directions relies on fixed intervention strengths that cannot respond to the model's evolving internal state. Motivated by this key observation, we introduce AIMES, a framework for adaptive multi-value activation steering. AIMES constructs layer-specific bipolar directions for moral-foundation values and uses intermediate-layer vocabulary readouts as online observers. An observer-guided controller then adapts the strength of each requested value intervention at every decoding step based on its current observed state, without training a separate value-state estimator. Across multiple instruction-tuned model families, value combinations, and intervention depths, we find that multi-value controllability varies across both value combinations and intervention locations. Compared with fixed joint steering and prompt-based steering, AIMES shows depth-dependent advantages that are broadly supported across two independent evaluators, with some variation in the precise depth at which specific control effects emerge. These advantages come with smaller realized activation-space interventions than fixed-joint steering and comparable response quality. Overall, our results suggest that online observer feedback can provide lightweight, state-aware adaptation for single-pass multi-value steering.
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Machine Learning · Cross-listed from cs.CV

What Improves Multimodal Misinformation Detection? Answers from a Large-Scale Empirical Study

Multimodal misinformation is increasingly crafted to look convincing by pairing a textual claim with an image that appears to "prove" it. Yet in practice, building effective detectors often hinges on a small set of design choices that are rarely examined in a controlled way. In this paper, we conduct a large-scale study of multimodal design choices for misinformation detection with over 3,375 experiments- spanning three benchmark datasets and a broad range of pre-trained vision and language backbones. Through systematic comparisons and targeted robustness analyses, we distill practical guidance on which design choices help, when do they fail silently, and what aspects of the pipeline most strongly shape model behavior, answering 4 key Research Questions (RQs). We aim to provide a reliable foundation for designing stronger and more dependable multimodal misinformation detection systems, thus contributing to the broader research community.
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Machine Learning · Cross-listed from stat.ME

An End-to-End Pipeline for Causal ML with Continuous Treatments: An Application to Financial Decision Making

This paper presents an end-to-end causal machine learning (ML) pipeline designed for real-world applications with continuous treatments. The proposed framework consists of six sequential steps: dimensionality reduction, causal identification, positivity assumption violation handling, estimation, refutation and evaluation, and policy optimization. We introduce practical contributions not currently available in existing causal ML toolkits, specifically: (1) a method for detecting and quantifying positivity violations in continuous treatment settings (2) a novel, scalable two-stage dimensionality reduction framework tailored for causal inference with high-dimensional data; (3) the adaptation of sensitivity analysis and estimation methods originally designed for binary treatments to the continuous treatment space and (4) an end-to-end integration of these components into a modular, reproducible workflow. These innovations address real-world challenges in causal inference that are often not covered in theoretical frameworks but frequently encountered in industrial applications. The methodology is validated with a synthetic dataset inspired in a real-world financial debt collection use case, however its design can be applied to analogous problems across different industries. Results demonstrate that the proposed methodology offers a more computationally efficient approach and produces less biased estimates compared to standard methods for problems with continuous treatment and high-dimensional data. A fully functional GitHub repository with documented code and numbered notebooks is made available ensuring reproducibility and practical implementation. The pipeline presented is intended to contribute to closing the gap between academic approaches and practical application in industry contexts where causal ML can be highly beneficial such as the financial sector.
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Machine Learning

From Weak Data to Strong Policy: Q-Targets Enable Provable In-Context Reinforcement Learning

Existing in-context reinforcement learning methods mainly pretrain Transformers with supervised behavior-prediction objectives. This enables task inference from context, but makes the learned policy strongly depend on the quality of offline actions: when trajectories are weak or suboptimal, imitation itself becomes a biased learning signal. We propose Q-Target Pretrained Transformers (QTPT), which keeps the context-conditioned Transformer architecture but replaces behavior cloning with a Bellman-style Q-target objective. QTPT therefore learns to use rewards and transitions in the context to estimate action values, rather than simply imitating the behavior policy. We theoretically analyze QTPT in stochastic linear bandits and finite-horizon MDPs, showing stronger robustness to data quality than supervised pretraining. Empirically, QTPT improves over supervised behavior prediction on controlled RL benchmarks with random or suboptimal data, and we examine extensions to D4RL Kitchen and AntMaze. Supplementary experiments evaluate backbone robustness, meta-RL comparisons, task-coherent context, and unsupported-action value overestimation. These comparisons distinguish the benefits of Q-target pretraining from the remaining limitations of offline coverage.
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All authors Yichen Lin, Xuyuan Xiong, Xue Wang, Xiangfu Meng, Mike Mingcheng Wei, Tao Yao

Machine Learning

DanLing NestedTensor: Composable Multi-Ragged Tensors for Deep Learning

Variable-size inputs are common in deep learning, but dense batching allocates a shared envelope and spends computation on padding. The cost multiplies across varying axes: an explicit pair state allocates $BN_{\max}^2$ positions instead of $\sum_i N_i^2$. Packing removes that waste, but composing packed operations still requires the logical axes and sample boundaries a flat buffer no longer exposes. We present DanLing NestedTensor, a PyTorch tensor abstraction that makes multi-ragged structure a property of the tensor itself. Packed values carry tensor-backed partitions and logical dimension order, so broadcasting creates ragged axes, feature transformations retain them, and reductions consume them. The same representation carries through autograd and both eager and compiled execution. On an A100, the geometric-mean speedup over same-mode padding is 2.74$\times$ eager and 3.39$\times$ compiled across four BERT scales, and 1.97$\times$ eager across four FCN backbones. A four-block Pairformer-style workload runs 2.40-4.32$\times$ faster than a padded reference using native PyTorch kernels across square length regimes in eager execution, with peak allocation falling from 38.08 to 5.41 GiB on its high-variation batch. The tensor interface lets model code built from its supported operators compose efficient variable-size computation without managing offsets at any call site. Code will be released publicly upon publication.
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Machine Learning

Cost-Aware Best-LLM Identification using Dueling Feedback

Inspired by the problem of identifying the best model from a collection of large language models (LLMs) with heterogeneous querying costs, we formulate and analyse a variant of the multi-armed bandit (MAB) with (i) dueling feedback, where pairwise comparisons between model responses provide robust preference signals, and (ii) heterogeneous sampling costs, reflecting the differing costs of querying different LLMs. Assuming the existence of a Condorcet winner, a condition we empirically validate across multiple real-world datasets, we propose a Track-and-Stop style algorithm for best-arm identification with prescribed confidence. We prove that the algorithm almost surely achieves the asymptotically optimal cost as the error tends to zero. Finally, we extensively evaluate our approach on both synthetic and real-world instances, demonstrating consistent improvements over classical cost-unaware algorithms and their cost-aware extensions.
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Machine Learning

Strategic Self-Consistency

Self-consistency has become a popular technique for enhancing the reasoning abilities of large language models by generating multiple reasoning paths and selecting the final answer through a majority vote. However, because model providers typically charge users in proportion to the number of reasoning paths generated, they have a financial incentive to artificially increase the path count. In this work, we show that an unfaithful provider can exploit this incentive using a simple, efficient algorithm while avoiding detection by an auditor: by generating and strategically reordering additional reasoning paths, the algorithm makes every path appear necessary to reach the majority. To validate our algorithm, we conduct experiments with multiple instruct models from the Llama and Qwen families, as well as reasoning models distilled from DeepSeek-R1, on benchmark datasets spanning mathematics, science, and question answering. Our results suggest that the distribution of additional reasoning paths generated by our algorithm is heavy-tailed and that substantial capacity to overcharge remains even under the best possible audit designed to keep the false-positive rate below $\alpha = 0.1$.
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Machine Learning · Cross-listed from stat.ML

Adaptive multi-resolution Gaussian processes: Scalable exact inference with naturally data-sparse covariance matrices

Gaussian processes constitute a cornerstone of probabilistic machine learning, yet scaling them to large datasets typically forces a trade-off between computational efficiency and model fidelity. This work bridges this gap by presenting an adaptive multi-resolution Gaussian process framework that is both scalable and exact. Our key innovation is constructing a naturally data-sparse covariance matrix with adaptive multi-resolution basis functions. These basis functions are directly anchored to samples, eliminating the need for auxiliary points. By shrinking the support domains of multi-resolution basis, the matrix block sizes are limited, guaranteeing sparsity. The inverse of the data-sparse covariance matrix is computed exactly and efficiently via the sparse Cholesky inverse algorithm. To further improve predictive uncertainties, we construct an augmented basis function. Theoretical analysis and numerical experiments demonstrate that our model achieves exact inference with $\mathcal{O}(n \log^2 n)$ training cost and $\mathcal{O}(\log^d n)$ prediction cost, establishing a principled framework for scalable and high-fidelity Gaussian process regression.
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All authors Yanchuang Cao, Jun Liu, Tengchao Yu, Heng Yong

Machine Learning

Learning coarse-step dynamics and internal mechanical response with graph networks

Modern sensing records the motion of physical systems, but often leaves the forces and mechanical response governing that motion unobserved. Inferring these quantities from discretely sampled trajectories is especially difficult at coarse time scales, when mechanical response evolves between observations and interactions propagate across the system. Here we introduce Newmark-e̱ta}-DGN, a graph neural network-based framework that combines two structures inspired by computational mechanics. First, a semi-implicit update inspired by the Newmark-e̱ta} method uses learned momentum fluxes and matrix-valued response operators to advance the state over each observed interval. Second, an operator-weighted virtual hub provides system-wide coupling through a sparse set of connections. The learned quantities thus determine the predicted motion and remain accessible for mechanical analysis. Across a deformable beam, human motion and protein dynamics, Newmark-e̱ta}-DGN supports long-horizon prediction at time steps for which explicit learned simulators deteriorate. Without force, moment or constitutive relation supervision, forces inferred from walking kinematics track independently derived hip and knee joint moments, while response operators learned on the beam recover the relative spatial and directional structure of its finite-element stiffness tangent. Newmark-e̱ta}-DGN therefore links coarse-step prediction to the inference of mechanical quantities that were never observed during training.
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Machine Learning · Cross-listed from stat.ML

Low-Rank Friction for Memory-Efficient Transformer Pretraining

iKFAD is a recently proposed optimiser that replaces adaptive learning rates with adaptive friction in the momentum dynamics, yet performs as well as Adam. Its limitation is that the full friction tensor $\xi\in\mathbb{R}^{m\times n}$ carries the same $\mathcal{O}(mn)$ memory overhead per layer as Adam's second-moment buffer. Here we replace iKFAD's friction tensor $\xi$ with a rank-1 outer-product factorisation built from row and column momentum statistics, resulting in Rank-1 iKFAD (R-iKFAD). This reduces the friction memory footprint from $\mathcal{O}(mn)$ to $\mathcal{O}(m+n)$ per layer, which approximately halves iKFAD's total optimiser state. Despite this reduction, R-iKFAD maintains parity in performance with iKFAD: experiments on GPT2-Nano, TinyViT, DistilBERT and GPT2-S confirm that it matches or exceeds iKFAD while nearly halving the memory footprint and remaining comparably robust to hyperparameters. We analyse the continuous-time dynamics in two damping regimes. For linear damping ($\gamma>0$) we prove exponential convergence under strong convexity. For $\gamma=0$, the preferred option in our experiments, the friction is generated entirely from past momentum and switches off as the momentum vanishes, so geometric convergence cannot be shown. We nonetheless prove convergence to the minimiser, together with matching upper and lower bounds on the energy: of order $t^{-1}$ when the regularisation scale $\epsilon_{\mathrm{stab}}$ is zero, and of order $t^{-1/2}$ when it is positive. To our knowledge this is the first convergence rate for a rank-1 factored optimiser in continuous time, and the first such result that does not require positive damping.
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