Machine Learning
A Paired Testing Protocol for Batch-Conditioned Refusal Robustness in LLM Serving
Sahil Kadadekar
Safety evaluations of
language models often treat serving configuration as fixed background infrastructure, but batch condition is an untested treatment variable whenever the same
prompt may be evaluated alone, in a synchronized batch, or inside a continuous-batching scheduler. We synthesize four artifact-backed studies into a paired testing protocol: Study A combines local discovery, scorer-corrected adjudication, and true-batching confirmation; Study B tests cross-model generalization; Study C tests continuous-batch composition; and Study D runs a batch-invariant-kernel ablation. The local test finds safety-label changes more often than capability-label changes (0.51% vs. 0.14%), but adjudication of 63 candidate rows leaves only 17 genuine behavioral flips, implying a corrected full-set rate of 0.16%. The 15-model extension finds no detectable universal safety-over-capability skew: flips are near parity (0.94x),
alignment type has no detectable association ($p=0.942$, $\eta^2=0.033$), and output instability is the strongest tested fragility screen ($r=0.909$, bootstrap 95% CI [0.65, 0.97]). In the targeted kernel ablation, standard vLLM reproduces 22/55 label flips on current score-flip candidates, while enabling VLLM_BATCH_INVARIANT=1 reduces the same test to 0/55 flips; the composition test separately finds no aggregate effect at 4.7pp sensitivity. The testing recommendation is exact-stack validation: evaluate refusal at the served batch setting, pair safety
prompts with capability controls, and report low-rate directional flips separately from aggregate null effects.
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Machine Learning
High-Fidelity Industrial Crash Dynamics Prediction via Geometry-Aware Operator Learning with Memory-Efficient Low-Rank Attention
Deepak Akhare, Mohammad Amin Nabian, Corey Adams et al. (+2 more)
Automotive crashworthiness optimization remains a safety-critical challenge, requiring the management of large-scale nonlinear structural deformations and energy dissipation through iterative, high-fidelity simulations. While traditional finite element solvers are computationally prohibitive, emerging operator learning frameworks provide rapid surrogate predictions; however, applying them to industrial-scale crash analysis, where complex geometry, contact nonlinearities, and rapidly evolving transient deformation coexist, remains an open challenge. In this paper, we demonstrate that the GeoTransolver framework provides a viable solution for accurate, high-fidelity crash dynamics prediction at industrial scale. Benchmarked on complex bumper beam and full-vehicle crash
datasets, GeoTransolver captures multi-scale
geometric context and accurately resolves plastic deformation patterns as well as acceleration profiles at critical occupant locations. Beyond the architecture itself, we propose and systematically evaluate a suite of temporal prediction recipes, including one-shot, time-conditional, and autoregressive rollout strategies, demonstrating that the one-shot approach achieves state-of-the-art accuracy with significantly reduced training overhead and inference latency. As a secondary contribution, we introduce a Fast Low-rank
Attention Routing Engine (
FLARE)-based modification to the GeoTransolver
attention backbone that reduces
memory overhead by approximately 2x while further improving predictive accuracy for O(N) long-range, high-frequency transients, preserving the geometry-aware cross-
attention strengths of the base framework. Our results highlight the practical viability of geometry-aware operator learning for high-fidelity surrogate modeling of complex, safety-critical automotive dynamics.
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All authors Deepak Akhare, Mohammad Amin Nabian, Corey Adams, Sudeep Chavare, Sanjay Choudhry
Machine Learning · Cross-listed from physics.flu-dyn
Sparse POD Mode Selection and Manifold Dimensionality Reduction with Neural Networks
Tomoki Koike, Prakash Mohan, Marc T. Henry de Frahan et al. (+2 more)
Linear dimensionality reduction methods such as proper orthogonal decomposition (POD) make high-dimensional data amenable to analysis by identifying the principal components, or modes, that capture the most variance, or energy, in the data and constructing a low-dimensional representation in the subspace they span. Such linear methods struggle, however, for data with slowly decaying Kolmogorov $n$-widths, such as advection-dominated and turbulent flows, which require many modes for accurate reconstruction; moreover, energy-based truncation can discard low-energy modes needed to capture small-scale features. Recent nonlinear
manifold methods using
polynomial mappings with alternating or greedy mode selection achieve better reconstruction with fewer modes, but fix the form of the nonlinear mapping a priori, limiting expressivity. In contrast, neural network (NN)
manifolds offer greater expressivity yet employ energy-based selection. We present SparseModesNet, a dimensionality reduction framework that employs linear encoding and nonlinear NN decoding. The decoder leverages LassoNet, a method enforcing hierarchical sparsity through a residual connection with a linear skip layer, to simultaneously select informative modes and learn a nonlinear mapping that minimizes reconstruction error. On
benchmark advection-dominated and chaotic flows, SparseModesNet matches or exceeds state-of-the-art performance. For turbulent channel flow at friction Reynolds number $Re_\tau = 5200$, our method reduces reconstruction error by 51-78% compared to existing
polynomial manifold methods while maintaining interpretability through physically meaningful mode selection.
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All authors Tomoki Koike, Prakash Mohan, Marc T. Henry de Frahan, Elizabeth Qian, Julie Bessac
Machine Learning · Cross-listed from cs.CV
Mahalanobis PatchCore: Covariance-Aware and Streaming-Compatible Industrial Anomaly Detection
Niccolò Ferrari, Oligert Osmani and Evelina Lamma
Industrial visual anomaly detection is usually one-class: normal images are abundant, while defects are rare, heterogeneous, and often unavailable during system design. PatchCore-style
retrieval suits this setting because it scores test images from a
memory bank of normal patch features, but the standard Euclidean geometry ignores feature correlations and its offline construction materialises the full patch pool before subsampling. We introduce Mahalanobis PatchCore, a covariance-aware, streaming-compatible extension of PatchCore. Its artificial intelligence contribution is a
retrieval detector that estimates a regularised covariance model in reduced feature space and whitens
embeddings, so Euclidean nearest-neighbour search after transformation implements Mahalanobis
retrieval. A bounded-
memory, re-iterable training pipeline builds the
memory bank without storing all normal patches at once, using incremental dimensionality reduction, online covariance estimation, and streaming aggregation. The engineering application is automated industrial inspection, where visual anomaly detection must remain accurate under practical
memory limits. We evaluate the method on a public 15-category industrial anomaly-detection
benchmark and three industrial
datasets covering blow-fill-seal strip-ampoule meniscus inspection, amber-glass-ampoule bottom inspection, and lyophilised-cake vial inspection. Mahalanobis PatchCore preserves most offline PatchCore image-level performance on the public
benchmark while reducing peak
memory from 5.41 to 2.78 GB, and improves the selected industrial mean image area under the receiver operating characteristic curve from 0.981 to 0.986.
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Machine Learning · Cross-listed from stat.ML
Soft Specialists: $\alpha$-Rényi Ensembles for Uncertainty-Aware LLM Post-Training
Paula Cordero-Encinar, Georgy Tyukin and Andrew B. Duncan
Existing training approaches for large
language models learn a single set of parameters, based on large volumes of data, which is typically heterogeneous, conflicting and often outright contradictory. As a result, the model is forced to compress conflicting goals, and inherent uncertainties into a single, averaged pattern of behaviour. We propose an $\alpha$-Rényi variational framework for learning distributions over post-training parameters, offering an uncertainty-aware alternative to deep ensemble approaches. The resulting variational objective interpolates between classical variational Bayes and predictively oriented posterior learning, balancing between globally plausible individual models against systems of complementary specialists. We identify local stability criteria, demonstrating how model misspecification can make non-degenerate posterior spread locally favourable, manifesting contradictory or conflicting data as epistemic uncertainty. We apply our framework to LLM post-training, learning an ensemble of LoRA adapters attached to a shared, frozen base model, providing a scalable training procedure for both supervised fine-tuning and preference optimisation. Our approach enables training examples to be softly routed across ensemble members, promoting model specialisation and providing actionable uncertainty estimates across different tasks.
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Machine Learning
Worker Disagreement Reveals Sharp Directions in Local SGD
Tolga Dimlioglu, Kristi Topollai and Anna Choromanska
Deep neural network training often exhibits highly anisotropic loss geometry, where a few sharp dominant Hessian directions coexist with a large flatter bulk. Gradients tend to align disproportionately with these dominant directions, although stable progress often requires movement through flatter bulk directions. Estimating the dominant subspace is therefore useful but costly with direct Hessian-based methods. We show that standard Local SGD exposes this geometry through worker disagreement. We theoretically show that the worker-average gap covariance is shaped by
stochastic-gradient noise and Hessian
curvature, causing workers to disagree along sharp,
curvature-sensitive directions. Thus, worker-average gaps provide a cheap Hessian-free
estimator of the dominant subspace. Experiments on MLPs, CNNs, and
Transformers show that subspaces formed by worker-average gaps capture a substantial fraction of the gradient component lying in the dominant Hessian eigenspace.
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Machine Learning
Explicit Critic Guidance for Aligning Diffusion Models
Zhengyang Liang, Qihang Zhang and Ceyuan Yang
Online reinforcement learning is becoming increasingly important for aligning
diffusion models with non-differentiable objectives. However, existing methods still face limitations in assigning fine-grained credit along denoising trajectories and in realizing stable value-based optimization. We propose a state-aligned latent actor-critic framework for
diffusion post-training, in which the
diffusion model serves as its own timestep-conditioned value function and predicts values directly on noisy latent states. This enables trajectory-level PPO training, supports stable actor-critic optimization with simple conditioning and value pretraining strategies, and naturally allows the learned critic to be reused for inference-time steering. We further extend the framework to multi-reward optimization, where joint training with complementary rewards helps alleviate reward hacking. Across both UNet- and DiT-based backbones, our method consistently outperforms prior group-relative RL and actor-critic baselines on single-reward and multi-reward
benchmarks, while test-time steering provides additional gains in generation quality.
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Machine Learning
Learn from your own latents and not from tokens: A sample-complexity theory
Daniel J. Korchinski, Alessandro Favero and Matthieu Wyart
Generative models, from
diffusion models to large
language models, achieve remarkable performance but at a cost in training data orders of magnitude larger than what biological learners require. An alternative paradigm has emerged in which networks are trained to predict their own latent representations of related views or masked regions, as in data2vec and JEPA – an idea related to predictive-coding accounts of the cortex. Despite strong empirical results, the theoretical understanding of these methods remains limited. Central questions include: by how much does latent prediction actually improve data efficiency? Is there a benefit to stacking such methods into multi-scale hierarchies? We answer both using as data a tractable probabilistic context-free grammar that captures the compositional structure of natural
language and images. Such a grammar generates strings of visible
tokens by recursively applying production rules along a tree of hidden symbols of depth $L$. For such data, supervised or
token-level SSL require a number of samples exponential in $L$ to recover the latent tree; we prove that latent prediction achieves this with a number of samples constant in $L$, up to logarithmic factors. We confirm this bound with (i) a hierarchical clustering
algorithm, (ii) an end-to-end neural network whose predictor-clusterer modules predict their own latents at each level via gradient descent, and (iii) the first sample-complexity analysis of data2vec, which we show implicitly performs hierarchical latent prediction. This suggests that explicit stacking such as H-JEPA is largely redundant.
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Machine Learning
Can Entry-Wise Clipping Give Spectral Control of Stochastic Gradients?
Zitao Song, Cedar Site Bai, Zhe Zhang et al. (+2 more)
Training instabilities such as loss spikes are frequently the result of
stochastic gradient noise. Because of rare expressions in
language training data, and multiple layer composition, the noise impact is heavy-tailed and survives mini-batch averaging. Existing remedies trade off structure against cost: vector-norm clipping ignores the
matrix structure of weight updates, while spectral normalization (e.g.,
Muon (Jordan et al., 2024)) respects it at additional cost. We show that this trade-off can be balanced. Real gradient noise appears to be similar to entry-wise heavy-tailed contamination, and a first-order perturbation analysis reveals a localization property of such noise, under which a simple entry-wise method achieves spectral control. Exploiting this, we derive a tractable surrogate for the Bayes-optimal entry-wise
estimator under a Gaussian signal prior. We establish $O(\varepsilon^{-4})$ convergence guarantee under Cauchy-contaminated noise. Empirically, we find that smooth shrinkage improves Adam on NanoGPT pretraining, saving ${\sim}7\%$ of training
tokens. We further find that applying the entry-wise clipping before spectral normalization yields a ${\sim}2\%$
token saving on top of
Muon.
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All authors Zitao Song, Cedar Site Bai, Zhe Zhang, Brian Bullins, David F. Gleich
Machine Learning · Cross-listed from physics.flu-dyn
CFDTwin: An open-source GUI and Python toolkit for POD-NN surrogate modeling of ANSYS Fluent simulations
Daniel Curl and Han Hu
High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has demonstrated that a proper orthogonal decomposition and neural-network (POD-NN) surrogate can predict two-dimensional thermal fields in an electronics-cooling cold plate with large inference speedups while preserving physically interpretable modal structure. Reproducing and extending such workflows, however, typically requires custom scripts for parameter sampling, Fluent automation, data extraction, reduced-order model construction, neural-network training, validation, and prediction. This paper introduces CFDTwin, an open-source Python package and optional desktop graphical user interface (GUI) that packages these steps into a reusable workflow for ANSYS Fluent simulations. CFDTwin allows users to define simulation inputs and output quantities, generate design-of-experiments samples, run and resume Fluent batch simulations, train POD-NN surrogate models for scalar, surface-field, and
cell-zone outputs, inspect validation metrics, and evaluate trained models at new design points without re-running Fluent. The same workflow is exposed through a scriptable Python API and a GUI, supporting reproducible studies, user-facing model validation, and automated design exploration. CFDTwin extends the prior POD-NN modeling study from a case-specific research implementation to a reusable research-software platform for CFD surrogate modeling and digital-twin development.
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Machine Learning
NUCLEUS-MoE: Unified Model of Pool Boiling for Liquid Cooling
Arthur Feeney, Xianwei Zou, Sheikh Md Shakeel Hassan et al. (+2 more)
Two-phase boiling enables heat transfer rates an order of magnitude higher than single-phase cooling, but it remains difficult to model due to the strong coupling between phase change,
turbulence, and transport, as well as extreme sensitivity to fluid properties and thermodynamic conditions. Existing learning-based surrogates are either condition- or fluid-specific, limiting generalization and requiring separate models. We present
NUCLEUS, a mixture-of-experts model for pool boiling that replaces collections of specialized surrogates with a single architecture.
NUCLEUS combines neighborhood
attention, signed distance field reinitialization for interface consistency, and expert routing that exhibits emergent specialization across distinct boiling dynamics. Trained on high-fidelity simulations of pool boiling,
NUCLEUS jointly models saturated and subcooled boiling across three fluid classes (dielectrics, refrigerants, and cryogens), resolving failure modes of prior models on extreme fluids. We show that expert routing exhibits coherent spatial structure and specialization without explicit supervision. Quantitatively,
NUCLEUS matches or exceeds baselines while maintaining physical consistency across heterogeneous boiling configurations. We also show zero-shot and few-shot generalization capabilities on downstream tasks such as a new fluid (Opteon 2P50 developed for immersion cooling). These results demonstrate that mixture-of-experts models are a scalable pathway toward unified surrogate modeling of boiling dynamics and lay the groundwork for broader generalization across scientific ML.
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All authors Arthur Feeney, Xianwei Zou, Sheikh Md Shakeel Hassan, Siddhartha Rachabathuni, Aparna Chandramowlishwaran
Machine Learning
Bayesian Deployment Approval for Learned Landing Controllers under Finite Rollout Validation
Fei Jiang and Lei Yang
Reinforcement learning and data-driven autonomous controllers are commonly evaluated using cumulative reward and empirical success frequency under finite simulation trajectories. However, such empirical metrics do not necessarily provide sufficient statistical evidence regarding deployment readiness under uncertainty. This work develops a
Bayesian approval framework for learned autonomous landing controllers under finite rollout evidence. A probabilistic landing capability formulation is introduced based on touchdown safety satisfaction under uncertain operating conditions, while
Bayesian posterior inference is used to quantify uncertainty regarding the true deployment capability of learned policies. Posterior approval probability and posterior deployment risk are further introduced for deployment-oriented evaluation, together with a sequential validation framework supporting approve/reject/continue decisions during progressive rollout testing. Simulation experiments using PPO and SAC controllers demonstrate that empirical success and reward optimization may produce overconfident deployment interpretation under limited validation evidence, whereas posterior approval inference provides a more uncertainty-calibrated assessment of deployment readiness. The proposed framework provides a practical statistical connection between conventional reinforcement-learning evaluation and deployment-oriented validation under uncertainty and may be generalized to broader classes of learned autonomous systems.
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Machine Learning · Cross-listed from math.ST
Robust Moment-Based Estimation via Spectral Gradient Reweighting
Liu Zhang and Amit Singer
Moment-based estimation is a theoretically attractive approach to parametric inference, especially when likelihood-based estimation is unavailable, misspecified, or computationally inconvenient. However, the moment equations involve sample averages, which makes moment-based estimation sensitive to outliers. We propose the SGR-GMM
algorithm, a robust generalized method of moments (GMM) procedure that uses a spectral gradient reweighting (SGR) primitive to soft-reweight the per-observation gradients during the moment-matching optimization. Our analysis has three layers. First, for a fixed center, the SGR primitive is formulated as an
entropy-regularized spectral game between a sample-weight player and a density-
matrix player, which is analyzed using classical multiplicative-weights and
matrix-multiplicative-weights regret bounds. Second, we establish explicit convergence radius and finite termination bound for the fixed-center updates in the SGR primitive. Third, we prove a local finite-sample parameter estimation error bound with explicit dependence on the contamination fraction, inlier gradient stability, local GMM identification strength, and optimization accuracy. We further specialize the SGR-GMM
algorithm to obtain a robust diagonally-weighted GMM (DGMM)
estimator for estimating heteroscedastic low-rank Gaussian mixtures observed under additive Gaussian noise and strong contamination. In the numerical experiments, the SGR primitive produces nearly-oracle gradient estimation and the robust DGMM specialization substantially improves over non-robust moment baselines. The code and data are available at https://github.com/liu-lzhang/sgr-gmm.
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Machine Learning · Cross-listed from cs.RO
Simulation-Informed Diffusion for Decentralized Multi-robot Motion Planning
Jinhao Liang, Sven Koenig and Ferdinando Fioretto
Decentralized multi-
robot motion planning requires each
robot to generate collision-free trajectories from local observations, without global sensing or reliable communication. However, most existing planners, whether classical or learning-based, generate trajectories from a static snapshot of the local observation, which limits their ability to anticipate the future behavior of neighboring
robots. This limitation is critical as the number of
robots increases and the environment becomes more cluttered. To overcome this challenge, this paper introduces Simulation-Informed
Diffusion (SID), a decentralized framework built on constraint-aware
diffusion models (CADM). SID first uses CADM to simulate the future trajectories of neighboring
robots from their currently observed states, and then uses the same CADM to plan each
robot's own trajectory under safety constraints informed by these simulations. Crucially, the accurate simulation of neighbors enables a minimal communication scheme that triggers coordination only when necessary in highly congested scenarios. Experiments across diverse environments show that SID consistently outperforms baseline methods in terms of planning effectiveness and constraint satisfaction, and scales to scenarios with 108
robots and 160 obstacles.
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Machine Learning · Cross-listed from cs.CV
Structure over Pixels: Learning Variable-Length Visual Programs
Piotr Wyrwiński, Kacper Dobek and Krzysztof Krawiec
Discrete visual tokenizers map images to ordered sequences of
tokens, providing a natural representation for structural scene descriptions. Most use a fixed sequence length, while adaptive methods often require post-hoc search or choose among a small set of rates that control the length. We propose STROP, a discrete tokenizer that learns both a visual program and its image-dependent active length. A length head is trained with a four-phase curriculum using local rate-distortion probes against frozen DINOv3 features, then predicts the active prefix in a single forward pass. At a matched rate of about $250$ nominal bits per crop, the adaptive model improves
segmentation over a separately trained fixed-length baseline on four
benchmarks (by $1.6$-$3.1$ mIoU), and it also beats a fixed $K{=}32$ baseline that uses more bits. STROP programs also yield higher
segmentation mIoU than FlexTok, One-D-Piece, and ALIT at similar or higher rates, under the same readout architecture and training protocol. STROP therefore learns useful per-image sequence lengths without post-hoc search or a predefined set of compression rates.
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Machine Learning · Cross-listed from cs.CL
TRACES: Proactive Safety Auditing for Multi-Turn LLM Agents via Trajectory-State Modeling
Jiaqian Li, Yanshu Li, Boxuan Zhang et al. (+2 more)
LLM
agents increasingly operate through multi-turn tool use and environment interaction, where safety risks often emerge from intermediate steps long before they surface in the final outcome. Reactive
auditing is therefore insufficient: post-hoc diagnosis frequently misses the chance to flag risks while they are unfolding. We propose TRACES, a representation-based proactive auditor that learns prefix-level trajectory risk states from the hidden representations of an observer LLM. TRACES induces latent mechanism features from step representations and models their temporal
evolution to estimate whether a partial trajectory is drifting toward unsafe behavior. To sidestep the cost and ambiguity of step-level risk annotation, TRACES is trained with weak trajectory-level supervision while still producing dense prefix-level risk estimates. Across multiple
agent safety
benchmarks, TRACES improves both full-trajectory safety prediction and proactive risk discrimination. Our analyses further suggest that these risk states can help train a safer
agent, highlighting the broader potential of proactive
auditing for long-horizon
agent safety.
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All authors Jiaqian Li, Yanshu Li, Boxuan Zhang, Ruixiang Tang, Kuan-Hao Huang
Machine Learning
Test-Time Collective Action: Proxy-Based Perturbations for Correcting Algorithmic Harms
Meghana Bhange, Ulrich Aïvodji and Elliot Creager
When machine learning systems under-perform for particular subgroups, affected users typically have no way to correct these disparities without relying on platform-level fixes. Existing approaches to algorithmic
fairness rely on provider-centric approaches to correct these failures, leaving users with no external lever when faced with harm. Recent work in Algorithmic Collective Action shows that coordinated users can steer an algorithmic system toward a collective goal, but the existing mechanisms require the provider to retrain on the collective's modified data which users may not have control over. We propose Test-Time Collective Action (TTCA), a framework through which a group of users who share query access to the platform, can correct disparities affecting under-served subgroup without participating in the platform's training loop. We implement this through a proxy-based mechanism where the collective pools query access to a black-box API to extract a proxy of the platform, then optimizes a per-class universal perturbation against the proxy. Each member applies this perturbation to their own inputs at submission time, requiring no cooperation from the platform. We empirically evaluate the mechanism on CIFAR-10, CIFAR-100, and FairFace, showing that modestly-sized collectives close most of the subgroup accuracy gap, transfer across architectures (a small proxy can attack a larger platform), and improve worst-group accuracy, equal-opportunity gap, and disparate impact. A query-budget analysis comparing a per-user black-box attack baseline shows that pooling is cheaper than each subgroup member attacking alone. Test-time collective action thus offers corrective intervention to users when platform-side remediation is unavailable or delayed.
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Machine Learning · Cross-listed from cs.AI
Behavioural Analysis of Alignment Faking
Nathaniel Mitrani Hadida, Rhea Karty, David Williams-King et al. (+1 more)
Alignment faking (AF) refers to a model strategically complying with a training objective to avoid behavioural modification while preserving its deployment preferences. Understanding when and why AF arises matters as models grow better at distinguishing training from deployment. Prior work finds AF fragile,
prompt-sensitive, and model-dependent, leaving its underlying drivers unclear. We study AF in a controlled, minimal setup that isolates its core components, and observe it across a wider range of models than previously reported, including small-scale models. We identify three separable drivers – values, goal guarding, and sycophancy – and show via targeted
prompt ablations and activation steering that each independently modulates AF behaviour. Our results indicate AF is more widespread than previously reported and that its occurrence is predictable from situational cues and measurable model tendencies such as baseline sycophancy and stated values. The decomposition suggests concrete directions for detecting and mitigating AF in future models.
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All authors Nathaniel Mitrani Hadida, Rhea Karty, David Williams-King, Alan Cooney
Machine Learning · Cross-listed from cond-mat.soft
On the Equivariant Learning of the $Q$-tensor Order Parameter
Julia Navarro and Mark Wilkinson
We construct and evaluate group-equivariant neural networks for the prediction of the two-dimensional $Q$-tensor order parameter of nematic
liquid crystals from synthetically generated microscopic textures. Seven architectures, equivariant to cyclic groups $C_k$ of order $k$ for $k=4,\,8,\,16,\,32,\,64,\,128,\, 256$, are built using a combination of weight-sharing constraints, equivariant activations and regularization techniques. To do this, we construct rotation-like permutation
matrix groups with elements $\varrho_{C_k}(g)$ that act on row-wise vectorized images, thereby approximating a $\frac{2\pi}{k}$ rotation of the circular subdomain on square images. We show that all seven equivariant models satisfy the $Q$-tensor equivariance constraint to within single-precision floating point accuracy. Comparing against approximate parameter-matched non-equivariant
benchmarks, with and without data augmentation, we find that the equivariant models consistently achieve lower errors and generalize more robustly to unseen defect configurations. Performance increases with group order, suggesting that the incorporation of finer rotational
symmetry leads to lower errors.
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Machine Learning
Heterogeneous Parallelism for Multimodal Large Language Model Training
Yashaswi Karnati, Kamran Jafari, Akash Mehra et al. (+10 more)
Foundation model training is becoming
multimodal, from post-training pipelines to large-scale pretraining. As modality coverage broadens, context windows grow, and encoder LLM scales diverge, a single LLM-centric TP/CP/PP/DP/EP layout increasingly limits throughput. This coupling forces encoders to inherit LLM-driven sharding and placement choices that can add communication, limit encoder parallelism, or constrain the LLM schedule; the mismatch is most pronounced at long contexts, where LLM context parallelism is needed for the fused
multimodal sequence but encoder inputs remain bounded. We present heterogeneous parallelism for
multimodal large
language model training, an abstraction that lets modules in one end-to-end graph use independent layouts and rank placements, supporting colocated execution on shared GPUs and non-colocated execution on disjoint rank sets. The key challenge is preserving boundary tensor semantics across independent layouts: forward activations must be materialized for the destination layout, while backward gradients must be routed back to the source layout. We address this with boundary communicators that implement forward and backward layout transforms, plus scheduling extensions for both placement modes. We evaluate optimized homogeneous, colocated heterogeneous, and non-colocated heterogeneous configurations across
multimodal workloads and GPU scales to characterize when added layout and placement freedom exposes a better operating point. Across this sweep, colocated heterogeneity improves TFLOPS/GPU by up to 49.3%, while non-colocated heterogeneity improves aggregate
token throughput by up to 13.0% and TFLOPS/GPU by up to 9.6%. We validate loss convergence parity against homogeneous baselines and release the system as an open-source Megatron-LM extension.
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All authors Yashaswi Karnati, Kamran Jafari, Akash Mehra, Li Ding, Pranav Prashant Thombre, Ali Roshan Ghias, Shifang Xu, Parth Mannan, Yu Yao, Hao Wu, Eric Harper, Ashwath Aithal, Nima Tajbakhsh
Machine Learning · Cross-listed from stat.ML
Unsupervised Identification and Removal of Spurious Correlations During Fine-Tuning
Ciarán M. Gilligan-Lee, Joseph Egan, Yuchen Zhu et al. (+1 more)
Fine-tuning a pretrained
language model on a curated
dataset can produce spurious correlations between the fine-tuning task and unintended latent factors—such as misaligned personas or political slant—that the curation procedure has entangled with the task. The model can latch onto these spurious correlations, leading to bias and reduced out-of-distribution generalisation. We prove that under reasonable assumptions on task complexity and the spurious correlation, such latent factors can be identified, without supervision, from the weights of a naive LoRA fine-tune. Existing approaches to removing bias, such as activation steering, remove identified factors from residual-stream activations, either at inference or during training. We argue, however, that the goal should be to remove the spurious correlation, not the latent factor itself, as the pretrained model may rely on it for genuine task signal. To enable this, we propose GRASP, GRadient projection of Associated Spurious Patterns, which prevents the model from acquiring new reliance on the identified latent factor while preserving any pretrained content along it. We validate on three fine-tuning tasks. The first two involve emergent misalignment, where fine-tuning on a narrow task—in our case, writing insecure code and giving bad medical advice—leads to misaligned responses on unrelated topics. Here our method completely removes misalignment in the insecure code case and reduces it by ~5x in the bad medical advice case, beating all baselines in the trade-off between misalignment-reduction and task-preservation. The last is a novel political-bias experiment, where fine-tuning on right-skewed Reddit financial-advice data causes political-lean drift on unrelated topics. Here our method reduces drift by more than half, while improving financial task performance, beating all baselines.
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All authors Ciarán M. Gilligan-Lee, Joseph Egan, Yuchen Zhu, Michael O'Riordan
Machine Learning · Cross-listed from cs.CR
Backdoor Attacks on Fault Detection and Localization in Cyber-Physical Systems
Abile Jean and Kuniyilh S
Cyber-Physical Systems (CPS) integrate sensing, communication, computation, and control to support critical infrastructure, including smart grids, industrial automation, and control systems. In the electrical utility domain, various controllers are used in CPS to ensure the system detects and recovers from faults, such as voltage fluctuations, and to perform load balancing in distribution systems. Machine learning- and deep learning-based fault detection and localization frameworks have recently gained significant
attention in CPS for their ability to identify anomalies and operational failures in real time. However, these intelligent models are vulnerable to
adversarial machine learning attacks, particularly
backdoor attacks. In a
backdoor attack, an adversary injects malicious patterns into the training data so that the model behaves normally most of the time but produces attacker-controlled outputs when triggered by specific patterns. This paper investigates the threat of
backdoor attacks against fault detection and localization mechanisms in recent ML pipelines used in modern CPS systems. We define these threats and explore how they can be realized by designing triggers and evaluating their success in the CPS domain. Our experiments show the attack is successful even with 10% of poisoning.
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Machine Learning
When do complex-valued neural networks help? A study of representation, geometry, and optimization
Ashutosh Kumar
Complex-valued Neural Networks (CVNNs) are often motivated by domains where information is naturally encoded in magnitude and phase. Yet complex-valued inputs alone do not determine when complex arithmetic improves learning: the label signal may lie in amplitude, phase, their coupling, or a
symmetry that real-valued models can also represent under suitable coordinates. We study this through a representation-first evaluation of CVNNs against Cartesian real, polar, phase-only, magnitude-only, parameter-matched real, and FLOP-matched real baselines. Across synthetic RF tasks, complex representations are useful but not universally superior. PSK-only tasks favor phase-aware and complex-valued models, QAM-only tasks favor magnitude-based models, mixed PSK+QAM gives only a small complex-valued advantage, and unseen carrier-phase rotations break coordinate-dependent models without augmentation. Similar patterns appear beyond RF: in
quantum-wavefunction prediction, momentum is invisible to $|\psi|$ but recoverable from phase, while
EEG analytic-signal experiments show that phase locking, amplitude bursts, and phase-amplitude coupling each favor different coordinate views. We also identify a benchmarking artifact on RadioML 2018.01A. Under matched-shared-trial selection, a CReLU complex model exceeds the best real baseline by 22.94 PP; under independent per-family tuning on the same data and 16-trial search space, the gap collapses to 2.46 PP. Gradient analysis traces the inflated gap to high-learning-rate first-step instability in real baselines, while complex parameter coupling distributes the loss signal more robustly. A learning-rate $\times$ activation factorial confirms the failure is primarily hyperparameter-driven. Overall, CVNNs are best viewed as structured inductive biases whose gains depend on representation,
symmetry, and optimization, not as universally superior architectures.
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Machine Learning · Cross-listed from stat.ML
Evolving and Detecting Multi-Turn Deception using Geometric Signatures
Surender Suresh Kumar and Mary L. Cummings
Safety defenses for large
language models (LLMs) are typically trained and evaluated on single-turn
prompts, yet real attacks often unfold as indirect, multi-turn probing. To defend against this more nuanced form of deception, we present a unified pipeline that generates realistic multi-turn deceptive question sets via multi-objective genetic
prompt optimization with co-evolving mutation operators. We validate this
dataset through a human study, which also revealed that early generations yielded the most convincing deception and practical constraints such as adherence filtering and ordering effects. Using this data, we were able to detect deceptive attempts to access prohibited information using simple, explainable
geometric signals in
embedding space coupled with a lightweight feed-forward classifier. Three
geometric features (angular coverage, distance ratio, and linearity) augmented with pairwise similarity statistics led to a compact predictive model that achieved consistently high recall (0.89) across base, reworded, and truncated (three-turn) scenarios, with test-time F1 ranging from 0.74-0.86. The results support a central hypothesis that multi-turn deceptive intent leaves a stable
geometric footprint that enables lightweight, transparent screening without expensive end-to-end training. We further discuss responsible uses, limitations, and paths toward larger, more diverse human-evaluated
datasets. The primary contribution to artificial intelligence is the multi-objective evolutionary framework for
prompt generation, and the engineering application is the deployment of a lightweight
geometric detection system for LLM safety infrastructure.
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Machine Learning
Aligning LLMs with Human Uncertainty: A Beta-Bernoulli Calibrator for LLM Forecasting
Hui Dai, Ryan Teehan, Parsa Torabian et al. (+1 more)
Probabilistic
forecasting estimates the likelihood of uncertain future events. To improve LLM
forecasting, existing methods typically learn from binary outcomes to output verbalized forecasts. However, while aggregated human forecasts contain rich information in both the crowd probability estimate and the degree of agreement among forecasters, how to utilize these signals remains underexplored. To address this, we propose the Beta-Bernoulli Calibrator (BBC), which converts an initial point estimate forecast from any model into a distribution over event likelihood, using supervision from both binary outcomes and human forecasts. BBC models event likelihood $p \sim \text{Beta}(\alpha, \beta)$ and outcome $y \sim \text{Bernoulli}(p)$, with the mean as the calibrated point forecast and the variance as the epistemic uncertainty. Our results show that BBC generally provides better calibrated and more accurate forecasts than both traditional post-hoc calibration methods and models fine-tuned specifically for
forecasting, while remaining lightweight and having good generalization. We also show that the epistemic uncertainty captured by BBC is a more reliable predictor of
forecasting error than verbalized confidence.
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All authors Hui Dai, Ryan Teehan, Parsa Torabian, Mengye Ren
Machine Learning
How the Optimizer Shapes Learned Solutions in Equivariant Neural Networks
Teodor-Mihai Stupariu and Andrei Manolache
Equivariant neural networks encode
geometric symmetries by construction, yet they are often difficult to optimize and can underperform less constrained architectures. A growing body of work addresses this through architectural modifications such as constraint relaxation or approximate equivariance, while the role of the optimizer remains comparatively underexplored. We study this direction by comparing
Muon and Adam across several equivariant and
geometric architectures under pointcloud and molecular learning settings. On ModelNet40, where the comparison is clearest,
Muon consistently improves over Adam across all architectures considered. We then analyze the trained ModelNet40 checkpoints through Hessian estimates, loss surface visualizations, and spectral properties of learned weights and intermediate representations. The checkpoints reached by
Muon have larger Hessian
curvature summaries but more regular loss surfaces, and their learned weights and representations have higher stable and effective ranks. These observations suggest that the interaction between optimizer design and
geometric inductive bias deserves further
attention from the community.
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Machine Learning
Transferable Reinforcement Learning via Probabilistic Latent Embeddings and Dynamic Policy Adaptation for Sim-to-Real Deployment
Gengyue Han and Yiheng Feng
Due to limited resources and public safety concerns, deep reinforcement learning (RL)
agents for many cyber-physical systems (e.g., autonomous vehicles) are first trained in simulators. However, when deployed in real world environments, they often suffer from performance degradation or safety violations because of the inevitable Sim2Real gap. Existing zero-shot approaches, such as robust safe RL and domain randomization, mitigate this issue but typically at the cost of degraded performance or residual safety risks when experiencing unmodeled system dynamics. To address these limitations, we propose a novel reinforcement learning framework that enables safe and efficient policy transfer via probabilistic latent
embeddings and dynamic policy adaptation. We consider a family of Constrained Markov Decision Processes (CMDPs) under different environment contexts. By leveraging latent context variable in meta-RL, the proposed framework infers the latent representation of the environment from simulated experiences. Furthermore, it incorporates a distributional RL formulation, which allows risk levels of the deployed policy to be adjusted dynamically, based on the estimation accuracy of the latent context variable. This strategy promotes safety at the early deployment stage and improves efficiency through fast policy adaptation under the Sim2Real gap.
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Machine Learning
Faster Thermal Profiling of a Lunar Rover with Machine Learning Adapted Finite Difference Model
Samuel Weber, Zaki Hasnain and Souma Chowdhury
Autonomous space systems operating in extreme thermal environments require accurate and efficient thermal modeling to support both pre-mission system design and onboard autonomy. For lunar rovers, large temperature gradients, radiative heat transfer, and variable surface conditions make reliable thermal prediction especially challenging. High-fidelity physics-based simulations provide accurate results but are computationally expensive, while simplified models and lookup-table approach often lack sufficient accuracy. Physics-informed machine learning (PIML) offers a promising alternative by combining data-driven models with embedded physical knowledge. This paper presents a PIML framework for thermal analysis of a simplified lunar rover with internal heat sources, where machine learning enables environment-adaptive coarse meshing. The proposed architecture integrates a transfer neural network (TNN) that adaptively determines 3D finite-difference nodalization based on thermal loads and initial conditions, enabling more accurate coarse-mesh calculations. A differentiable finite-difference thermal simulator is embedded within the framework to enforce physical consistency and support efficient training, while an upscaling layer reconstructs high-resolution temperature fields from the coarse-grid solution. The proposed PIML approach is evaluated against high-fidelity fine-mesh simulations, low-fidelity fixed coarse-mesh models, and a purely data-driven artificial neural network (ANN). Results show that the PIML framework improves prediction accuracy by 50% and 39% relative to the coarse-mesh physics model and ANN model, respectively, while maintaining physically consistent thermal distributions. Computationally, the framework is also 3x faster than high-fidelity simulations, demonstrating an effective balance between accuracy and efficiency for thermal modeling of lunar rover systems.
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Machine Learning · Cross-listed from cs.CL
Disentangling Language Roles in Multilingual LLM Task Execution
Qishi Zhan, Minxuan Hu, Seoyeon Jang et al. (+7 more)
Multilingual LLMs are increasingly used when instruction, source content, and required response
languages do not coincide. Existing
benchmarks have expanded
multilingual instruction-following evaluation, but they rarely isolate these three roles within a fully crossed design. We introduce MTM-Bench, a controlled
benchmark for
language-conditioned task execution in which each instance is defined by a triplet \((L_{\text{instr}}, L_{\text{content}}, L_{\text{resp}})\). Across English, Spanish, and Chinese, MTM-Bench enumerates all 27 triplets and contains 2{,}430 instances per model across semantic reversal, final-state extraction, and
language purity with update realization. We evaluate 20 frontier and open-weight LLMs using decomposed metrics for semantic correctness, target-
language adherence, constraint satisfaction, contamination ratio, and joint success, with scoring validated by a targeted human audit. The fully crossed design reveals that degradation is organized by the role a
language occupies in the task structure, not merely by mismatch count. The response-
language role is the dominant axis of variation, and a single response-slot mismatch accounts for most degradation. The response-only and full-mismatch comparison suggests that mismatch count is not a monotonic predictor of difficulty, with model-level ordering varying across systems. Task families fail through distinct channels, showing that semantic correctness alone does not capture reliable
multilingual task execution.
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All authors Qishi Zhan, Minxuan Hu, Seoyeon Jang, Lei Zhao, Ziheng Chen, Man Liang, Xinyue Xiang, Jiaxin Liu, Guansu Wang, Liang He
Machine Learning
Hurwitz Quaternion Multiplicative Quantization for KV Cache Compression
Kabir Swain, Sijie Han, Daniel Karl I. Weidele et al. (+3 more)
We propose Hurwitz Quaternion Multiplicative Quantization (HQMQ), a calibration-free method for KV cache compression of large
language models. HQMQ treats each 4-element chunk of K or V as a quaternion and quantizes its unit direction to the product $q_p \cdot q_s$, where $q_p$ ranges over the 24-element Hurwitz group $2T$ (the 24 vertices of the 24-
cell on $S^3$, pairwise angle $60^\circ$) and $q_s$ ranges over a per-(layer, head) secondary codebook of $S$ random unit quaternions. The multiplicative composition yields $24S$ effective codewords at $S$ stored parameters; random initialization suffices because left-multiplication is an $S^3$ isometry, so seeded codebooks vary in end-task ppl by $<1.5\%$. A per-batch median-multiplier outlier extraction step ($C{=}3$, no calibration) handles modern outlier-heavy architectures. We evaluate on five modern open models: Mistral-7B (dense MHA), Llama-3-8B and Qwen2.5-7B and Qwen3-8B (dense GQA), and gpt-oss-20b (sparse MoE). On Mistral-7B and Qwen3-8B, HQMQ matches fp16 within $0.02$–$0.03$ ppl points at $\sim$5 bits. On Qwen2.5-7B and Qwen3-8B, where naive int4 collapses to $10^4{+}$ ppl, HQMQ + Med3$\times$ recovers fp16 quality within $0.02$–$0.10$ ppl points at $\sim$5 bits. HQMQ Pareto-dominates naive int by $3$–$1900\times$ at matched bits across all five models, and downstream zero-shot accuracy matches fp16 at $3.79$ bits on Mistral. Against the strongest calibrated KV-quantization baseline, HQMQ at $3.79$ bits matches KIVI-4 ($\sim 4.5$ bits) within ${\sim}1$ pt on CoQA, $0.6$ pts on TruthfulQA, and $2.3$ pts on GSM8K, at $16\%$ fewer bits and without a calibration pass. At the storage level, HQMQ delivers up to $5.05\times$ KV compression, shrinking a Llama-3-70B 128k-context cache from 43 GB to 8.5 GB.
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All authors Kabir Swain, Sijie Han, Daniel Karl I. Weidele, Mauro Martino, David Cox, Antonio Torralba