Machine Learning (Statistics) · Cross-listed from cs.CL
Finding Icebergs in Language-Model Workflow: Diagnosing Latent Structural Fragility with Stochastic Semantic Evidence Graphs
Matthew F. Dixon, Bertrand Nortier and Miquel Noguer i Alonso
AI-workflow governance cannot be reduced to checking the final answer: an apparently safe answer may rest on a fragile evidence path that ordinary evaluation cannot see, localize or govern. We call this hidden fragility a "structural iceberg":
hallucinations and unsupported claims may form its visible tip, while consequential weakness remains submerged.
Stochastic semantic evidence graphs (SSEGs) expose these icebergs by preserving workflow channels, propagating local uncertainty and identifying the hidden paths on which an apparently safe output depends. ALCE and RAGTruth show that visible failures at the tip -unsupported citations and hallucinated spans -rest on distinct submerged weaknesses and therefore require different interventions. Across
retrieval, tool-use and controlled stress tests, SSEG localizes those weaknesses, supports targeted repair, produces no false automatic passes in 35,000 known-truth cases and reduces ToolSandbox review by 28.8% across 96 executions from two
agent models. The same structural view carries into end-to-end governance: in a separately sealed 1,200-case FinGovBench study, adding SSEG to GPT-OSS-20B reduces unsafe releases from 452/660 to 8/660 while releasing all 540 safe cases and correctly distinguishing 592/600 matched workflow pairs. An unchanged-gate transfer to Qwen3-8B releases all 540 safe cases and none of 660 unsafe cases, whereas flat-UQ releases 520 unsafe cases. SSEG therefore moves governance below surface-level output checking, turning hidden evidence dependencies into auditable, path-specific decisions about intervention, revalidation and release.
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Machine Learning (Statistics) · Cross-listed from cs.LG
CNA: An AI-Oriented Comprehensive Normalized Assessment for Healthy Status and Application to Optimize RRT Strategies by Reinforcement Learning
Jiang Liu, Chan Zhou, Yujie Li et al. (+8 more)
Millions worldwide require Renal Replacement Therapy (RRT) as a treatment essential for survival. However, optimizing RRT strategies via AI is challenging due to heterogeneous patient dynamics, missing data, and the absence of an AI-oriented health assessment criterion. We propose an AI-Oriented Comprehensive Normalized Assessment (CNA) for healthy status and apply it to optimize RRT strategies by using offline reinforcement learning (RL). The key idea of CNA is transforming vital-sign distributions into a standard normal space, enabling a unified, data-driven health-status score defined by deviations from referent intervals, which also provides an AI-oriented criterion to assess strategy quality and supports RL termination. We further design a structured 23-dimensional state representation that integrates 19 indicators with 4 RRT descriptors, and employ
matrix decomposition to reconstruct missing vital signs, improving data completeness for learning. These components are incorporated into multiple offline RL
algorithms and validated via systematic ablation studies on RRT feature subsets. Compared with physicians' observed treatments, the best learned strategy reduces mortality from 13.2% to 5.0% (reducing 62.24%) and shortens average in-hospital stay from 308.5 to 250.1 hours (reducing 18.93%), demonstrating both methodological innovation and the potential of CNA-guided RL to improve RRT outcomes in nephrology.
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All authors Jiang Liu, Chan Zhou, Yujie Li, Di Wu, Yihao Xie, Peiwei Li, Xin Shu, Jiaqi Zhu, Chunyong Yang, Yuwen Chen, Bin Yi
Machine Learning (Statistics) · Cross-listed from cs.CL
Shaolong Chen, Ang Li, Mingjie Li et al. (+1 more)
Large
language models increasingly rely on long chain-of-thought (CoT) trajectories for complex
reasoning, but autoregressive generation brings substantial
memory and inference costs. Latent
reasoning models (LRMs) offer a more efficient alternative by compressing intermediate
reasoning into a small number of continuous latent vectors. Despite their efficiency, however, the
adversarial robustness of LRMs remains largely underexplored. In this work, we systematically evaluate the robustness of latent
reasoning across textual and
multimodal settings, covering eight models and six
benchmarks. We find that, across our evaluated settings, LRMs are generally less robust than explicit CoT baselines under
adversarial perturbations, with particularly severe degradation under white-box attacks. Further analysis reveals distinct failure modes across modalities: textual latent states exhibit brittle dynamics and high sensitivity to specific input patterns, while latent states in
multimodal models can remain largely invariant to input perturbations and have limited influence on final predictions. These findings expose robustness limitations of current latent
reasoning approaches and highlight the need to jointly consider efficiency and robustness when designing implicit
reasoning systems. We have open-sourced our code to facilitate reproduction of our research https://github.com/PKU-ML/latent-
reasoning-model-assessment.
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All authors Shaolong Chen, Ang Li, Mingjie Li, Yisen Wang
Machine Learning (Statistics) · Cross-listed from cs.CL
Swiss-Knife: A Framework for Reconfigurable Externalised Multi-Objective Alignment at Decode Time
Agnibh Karmakar, Mayur Parvatikar, Shreyash Dhoot et al. (+5 more)
Decode-time
alignment methods steer a frozen
language model by scoring candidate continuations with an external reward and selecting the maximiser. We argue that this shared design is a single degenerate point in a much larger space. We introduce Swiss-Knife, a framework for externalised multi-objective
alignment in which the
alignment specification is a first-class runtime object: hot-swappable scoring blades, a batch normaliser, a pairwise aggregation operator, and a selection rule. Six axioms characterise the admissible aggregation operators, and we prove a representation
theorem: every operator satisfying them has the form $R_i = \sum_{j \neq i} g((\mu_i - \mu_j)/s(\sigma_i,\sigma_j))$, a two-parameter family containing probit and logistic comparison rules and pointwise argmax as named coordinates. Within it, pairwise aggregation is Lipschitz-stable under
adversarial reward contamination while argmax is not, and Candidate-Batch Normalization (CBN) makes the weight simplex invariant to the rescalings under which reward models are only ever identified. Our reference instantiation pairs DPO-LoRA blades with an uncertainty-aware pairwise tournament. Sweeping the helpfulness/honesty/harmlessness simplex, it attains the best balanced frontier of six decode-time methods (harmonic $F_1$ 0.797 vs. 0.750 for the strongest baseline, $p < 10^{-14}$) with the lowest refusal rate and highest helpfulness of any arm, and reconfigures its objectives in 0.05 ms with no gradient computation. Ablating CBN costs 0.217 $F_1$, and the metadata confirms the predicted mechanism: the lowest-variance blade retains 9% of its nominal 33% influence, and the collapse follows the predicted ordering.
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All authors Agnibh Karmakar, Mayur Parvatikar, Shreyash Dhoot, Amit Dhanda, Aman Chadha, Kapil Wanaskar, Vinija Jain, Amitava Das
Machine Learning (Statistics)
Rollcast: Proper-Score Gated Rolling Anchors for Adaptive Probabilistic Time-Series Forecasting
Giancarlo Vercellino
Rollcast is a probabilistic forecasting method for univariate time series that combines a compact set of rolling statistical anchors rather than relying on a single global model. Rolling means, medians, extrema, regression endpoints, and
quantiles define candidate forecast locations and a representation of the current state. A state-dependent softmax gate learns anchor probabilities by minimizing negative log predictive density, while residual distributions retrieved from similar historical states provide local uncertainty. Recursive simulation propagates the resulting mixture over multiple forecast horizons. The method is evaluated in a Monte Carlo study covering eight data-generating processes, including autoregressive, random-walk, local-trend, threshold, regime-switching,
stochastic-
volatility, heavy-tailed, and variance-break dynamics. Across 2,000 independent fitted series, Rollcast is compared with the true conditional predictive distribution generated by an oracle simulator. Overall empirical coverage is 86.2% for nominal 90% intervals and 91.5% for nominal 95% intervals. Predictive intervals are on average 13.6% wider than the oracle at the 90% level, while CRPS is 14.4% higher than oracle CRPS. Performance is closest to the oracle under autoregressive, threshold,
stochastic-
volatility, heavy-tailed, and variance-break dynamics, while local trends and regime switching are more challenging. The results indicate that Rollcast can construct competitive probabilistic forecasts from simple, interpretable local summaries, while also identifying limitations in calibration and recursive uncertainty propagation.
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Machine Learning (Statistics) · Cross-listed from math.ST
Optimal Stratified Allocation for Rare-Event Onset Forecasting in Dependent Sequences
Jaskaran Singh
Let a finite population of n labelled examples carry a class-weighted loss, with pi*n in a rare positive class weighted by N0/N1. We study estimation of total risk from a subsample K << n under designs allocating K0 and K1 draws to the two strata. We derive the exact finite-population variance of the weighted risk
estimator under class-conditional sampling without replacement and solve for the optimal allocation. The class multiplier inflates positive-stratum dispersion by the imbalance ratio, causing that ratio to cancel from the optimal allocation and making equal, rather than proportional, allocation the natural default. Simple random sampling is dominated by an explicit between-stratum term; an exact bias identity shows that cluster-representative selection has no general unbiasedness guarantee; and a Serfling bound transfers the allocation result to selection error over a finite candidate set. Under the implemented truncation, the realised allocation ratio is gamma=min(2*pi/f,1), independent of n, yielding the parameter-free efficiency prediction A(pi,f)=gamma/[pi(1-pi)(1+gamma)^2]. A separate measurability result bounds the record occupied by a labelled example, determining the required train-test separation and controlling departure from block independence under absolute regularity. We test these predictions on forecasting the onset of statistically explosive price regimes, dated ex post by the Phillips-Shi-Yu procedure, using 350 U.S. equities from 2004-2011 with under 1% positive rows and five purged forward blocks. The predicted ordering of the four designs holds, and at the 10-day horizon the five design points are ordered exactly as predicted by A (Spearman rho=1, exact p=0.0167). The predicted dependence on pi across horizons does not hold; we identify the channels lying outside the design-based argument.
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Machine Learning (Statistics) · Cross-listed from eess.SY
A Constraint-Aware Generative Framework for Synthetic Origin-Destination Demand in Logistics Networks
Leian Chen
Large-scale logistics networks require synthetic data generation capabilities to support scenario-based planning under novel conditions-such as network reconfiguration and demand shocks. Existing approaches, which rely primarily on historical observations, lack the ability to generate demand patterns that adapt to changes in network
topology while respecting operational constraints. We propose a constraint-aware conditional generative framework for synthetic origin-destination demand generation in hierarchical logistics networks. The framework models demand as a conditional distribution over destinations given each origin, enabling
topology-aware synthesis that is both topologically realistic and operationally feasible. Operational guidance is incorporated directly into the generative objective via differentiable constraints, while a flexible conditioning mechanism supports various operational contexts and adaptation to evolving network configurations. We instantiate the proposed framework based on a conditional generative model. Experimental validation on industrial real fulfillment and transportation network demonstrates 16% improvement over graph neural network baselines, 87% operational compliance, and efficient cold-start adaptation, enabling applications in capacity planning, network design evaluation, and routing optimization.
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Machine Learning (Statistics) · Cross-listed from q-bio.QM
Towards AI-Driven Nanomedicine Discovery: A Benchmark and Multimodal Learning Framework for Nano Self-Assembly Prediction
Quan Hao, Mengyue Fan, Zifan Dong et al. (+9 more)
Nano self-assembly organizes molecular components into bioactive nanoscale structures. Self-assembled nanoparticles (NAPs) derived from Chinese herbal formulas and applications such as anti-lung-cancer therapy demonstrate the substantial potential of self-assembly for nanomedicine discovery. Yet discovery still relies on costly wet-lab screening, while existing machine learning approaches lack standardized tasks, effective pairwise compatibility modeling, and public
benchmarks with unified evaluation. To address these limitations, we formalize NSA prediction as a binary classification task for predicting self-assembly between molecular pairs and then establish NSA-Bench, the first public
benchmark with curated molecular combinations, experimental conditions, self-assembly labels, and standardized evaluation protocols. We further develop NSA-Net, an interaction-aware
multimodal framework that integrates complementary molecular evidence from graph
topology, sequence semantics, and physicochemical descriptors to learn molecular-pair representations for self-assembly prediction. Extensive experiments on NSA-Bench show that NSA-Net achieves a ROC-AUC of $0.9470\pm0.0112$ (Small) and $0.9492\pm0.0062$ (Large). On the Small track, it surpasses the strongest machine-learning and graph-based baselines by 3.9 and 17.1 percentage points, respectively. Representation analyses reveal interpretable molecular characteristics associated with self-assembly prediction captured by the learned representations. Moreover, an NSA-
Agent case study further demonstrates how NSA-Net predictions can support formulation refinement through experimental-condition-aware
reasoning. Our code is available at https://github.com/developer-hq/NSA-Net.
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All authors Quan Hao, Mengyue Fan, Zifan Dong, Jianduo Zhao, Changhao Xiao, Shangqing Jiao, Hao Zhang, Yudong Wang, Fei Xia, Jigang Wang, Liguo Zhang, Chong Qiu
Machine Learning (Statistics) · Cross-listed from eess.SP
Cooperative Multi-Task Semantic Communication for Joint Classification and Regression Tasks
Ahmad Halimi Razlighi, Mohammad Siddiqur Rahman, Maximilian H. V. Tillmann et al. (+2 more)
Multi-Task semantic communication (SemCom) prioritizes simultaneous execution of multiple tasks over bit-accurate reconstruction in future intelligent networks. In our prior work [1], we introduced the cooperative multi-task SemCom (CMT-SemCom) framework, in which the semantic encoder is divided into a common unit (CU) and multiple specific units (SUs) to facilitate cooperative multi-task processing. However, CMT-SemCom has been evaluated on homogeneous classification tasks on simplistic
datasets, limiting its applicability to real-world perception systems. In this paper, we extend our CMT-SemCom to jointly handle heterogeneous classification and regression tasks on the complex Cityscapes
dataset. We adopt the information maximization (InfoMax) principle so that it accommodates mixed discrete and continuous semantic variables. In particular, we
benchmark the proposed framework against independent single-task training, a conventional task-agnostic digital transmission, and single-encoder multi-decoder SemCom. Additionally, we investigate the impact of CU capacity on joint task performance, providing design insights. Extensive evaluations demonstrate that CMT-SemCom significantly outperforms the
benchmarks.
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All authors Ahmad Halimi Razlighi, Mohammad Siddiqur Rahman, Maximilian H. V. Tillmann, Edgar Beck, Armin Dekorsy
Machine Learning (Statistics) · Cross-listed from cs.LG
High-Dimensional Learning Dynamics of Attention-Indexed Models
Yizhou Xu, Margarita Sagitova, Lenka Zdeborová et al. (+1 more)
Attention mechanisms are central to modern foundation models, yet their training dynamics remain poorly understood, especially when the
attention matrices have extensive rank. In this work, we study
attention-indexed models, a broad framework that can represent multi-layer and multi-head
attention architectures. First, we show that, in a suitable high-dimensional limit, the population-loss landscape is characterized by a finite set of trace order parameters. In contrast, online
stochastic gradient descent (SGD) is governed by an infinite hierarchy of
matrix moments, which we show can be exponentially well-approximated by a finite truncated system. Second, this framework reveals that
attention parameterization itself can act as an architectural implicit bias. Direct optimization of an
attention matrix $S\in\mathbb{R}^{d\times d}$ can remain trapped in an uninformative state. Tied
attention ($S=WW^\top$) induces an automatic
symmetry-breaking mechanism and yields weak recovery in $\Theta(d^2\log d)$ samples. For untied
attention, $S=UV^\top$, we uncover a fast-slow mechanism: the pre-activation mean first evolves on a fast timescale, while the overlaps evolve on a slower one. Weak recovery on the $\Theta(d^2\log d)$ scale occurs when the state selected by the fast dynamics breaks the initial
symmetry.
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All authors Yizhou Xu, Margarita Sagitova, Lenka Zdeborová, Florent Krzakala
Machine Learning (Statistics) · Cross-listed from quant-ph
Q-Edge: Symmetry-Reduced Quantum Simulation of Structured Extreme Dependence
Hongrui Zhang, Paolo Recchia, Jianlong Lu et al. (+1 more)
High-dimensional simulation of multivariate extremes is fundamentally limited by the combinatorial complexity of dependence, often more than by the scarcity of extreme observations. We show that
symmetry admits a lossless orbit-space representation that preserves structured extreme dependence while replacing an exponentially large dependence space with a compact set of
symmetry classes. Based on this principle, we develop Q-Edge (
Quantum Extreme Dependence Engine), a
symmetry-reduced
quantum framework that operates directly in orbit space, enabling scalable simulation and digital twins of structured extreme systems. By transferring
symmetry into the data representation rather than the
quantum circuit, Q-Edge allows unconstrained
quantum generative models to exploit dramatically reduced state spaces. For a 30-dimensional problem, approximately 1.6 million angular states collapse to 256 orbit states, reducing the required
quantum representation from about 21
qubits to 8. Our results establish a general computational principle for scalable
quantum simulation of structured extreme dependence.
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All authors Hongrui Zhang, Paolo Recchia, Jianlong Lu, Ying Chen
Machine Learning (Statistics) · Cross-listed from math.PR
Correlated initialization of deep residual networks
Felix Benning, Ivan Nourdin and Giovanni Peccati
We study the large-depth behavior of residual networks whose weights are correlated across layers at initialization. Our results confirm and extend a
conjecture of Marion et al. [2025], according to which correlated initializations should interpolate continuously between the Brownian
stochastic differential equation arising from independent initialization and the ordinary differential equation arising from perfectly correlated initialization. When the initialization is obtained from the application of a feature function to a stationary Gaussian sequence with regularly varying correlation, we prove that there exists a unique critical scaling such that the infinite-depth limit is the solution of a Young differential equation driven by a Hermite process. Hermite processes reduce to the fractional Brownian motion if the feature function generating the initialization has Hermite rank one, which is the case for the identity function, for example. We show that the critical scaling and asymptotic limit are uniquely determined by the decay of correlations together with the Hermite rank of the feature function. Consequently, the correlation structure and Hermite rank of the initialization represent meaningful hyperparameters in the asymptotic regime. By contrast, under finite-variance iid initialization, the asymptotic driver is universally Brownian up to normalization regardless of the choice of distribution. Our proofs rely on a collection of novel results establishing a robust stability theory for Young differential equations in Banach spaces.
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Machine Learning (Statistics)
Towards a Statistical Understanding of Mixture-of-Experts
Siyuan He, Bokai Yang, Jie Hu et al. (+2 more)
Mixture-of-experts (MoE) architectures increase model capacity by combining a collection of expert predictors through input-dependent routing, while often activating only a small subset of experts for each input. Despite their growing importance in modern large-scale models, the statistical roles of their design choices, especially routing, sparse activation, and shared experts, remain only partially understood, as existing theory has largely focused on parametric or correctly specified MoE models. In this paper, we view MoE as a form of localized aggregation and show how this localization reshapes the approximation-estimation-computation tradeoff. We derive oracle risk bounds for learning dense and sparse routing with evolving experts, separating approximation, expert-learning, and router-estimation errors, and characterize how sparse Top-K routing can retain the benefits of localized aggregation while controlling per-input computation. We also interpret gating through the geometry of input space, relating routing performance to regions of local expert advantage, and show how shared experts, as adopted in architectures such as DeepSeekMoE, can extract common predictive structure so that routed experts focus on residual local variation. Together, these results provide a unified statistical framework for understanding MoE through input-dependent expert aggregation, in which expert specialization and computational tradeoffs are governed by local predictive structure.
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All authors Siyuan He, Bokai Yang, Jie Hu, Ziwen Gao, Yuhong Yang
Machine Learning (Statistics) · Cross-listed from cs.LG
Spectral characteristics of autoencoder parameters as a vector representation of data
Maria Nikitina, Anton Bishuk and Oleg Bakhteev
This paper examines the relationship between the parameters of autoencoder models and the statistical properties of the data on which they are trained. Autoencoders are defined as models with an encoder-decoder architecture, trained to reconstruct input data through a compressed latent representation. It is proposed that the model parameters can be viewed as a dense vector representation of the corresponding sample. To test this hypothesis, a theoretical and experimental study is conducted in which a vector representation is formed based on the spectral characteristics of the autoencoder parameter
matrices. Theoretical analysis shows that the singular values of the model parameter
matrices are related to the
eigenvalues of the covariance
matrix of the training data, ensuring the transfer of information between the data space and the parameter space. Experimental results on the CIFAR-10 and FashionMNIST
datasets confirm that the resulting vector representations allow for a high degree of accuracy in distinguishing between models trained on different data subsets, without resorting to complex vector generation
algorithms or using the original samples. These results suggest that the parameters of trained autoencoders can be viewed as sample representations.
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Machine Learning (Statistics)
ALRA: Adaptive Local Relational Alignment for Logit-Based Pre-training Distillation of Autoregressive Language Models
Quang Hoang Trung, Quang Huu Hieu, Nguyen Van Hoang Phuc et al. (+1 more)
Logit-based knowledge
distillation for autoregressive
language models usually aligns teacher and student next-
token distributions over the entire vocabulary. However, this global objective overlooks relative preferences among likely
token alternatives. Existing local approaches often select candidate
tokens from either the teacher or the student alone. Teacher-only selection can miss
tokens that the student considers likely, while student-only selection can rely on an inaccurate ranking early in training. We propose Adaptive Local Relational
Alignment (ALRA), a position-specific framework combining student proposals with teacher guidance. At each valid prediction position, the student proposes likely
tokens, while the teacher's most probable
token is included as an anchor. ALRA adjusts the number of selected
tokens according to how broadly the teacher distributes probability within this candidate set relative to the current batch. Adaptive Local Divergence retains the mass-matching term and separately matches the relative
token distributions within the selected and remaining vocabulary regions. Unlike the exact full-vocabulary decomposition, it replaces the teacher-mass coefficients of the two conditional terms with unit coefficients, preventing either term from being downweighted solely because its region has low teacher probability. Student-Weighted Pairwise Relational
Alignment emphasizes high-probability
token pairs with small student probability gaps and gives less weight to unlikely or clearly separated pairs. Experiments on The Pile with randomly initialized 200M- and 500M-parameter students across nine zero-shot
benchmarks yield average accuracies of 36.62% and 37.40%. ALRA exceeds the strongest competing
distillation baseline by 0.94 and 0.83 percentage points and improves over pre-training without
distillation by 2.31 and 2.91 points, respectively.
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All authors Quang Hoang Trung, Quang Huu Hieu, Nguyen Van Hoang Phuc, Vo Nguyen Le Duy
Machine Learning (Statistics) · Cross-listed from cs.CL
How Perturbations Propagate: A Multi-Level Analysis of Robustness in Large Language Models
Dun Li Chan, Emily Liu, Niyathi Allu et al. (+1 more)
Language models encounter typos, corrupted text, altered words, and disrupted
token order, yet robustness is usually evaluated only through output behavior. We study how six naturalistic and synthetic input perturbations propagate through decoder-only
language models at three levels: output behavior, hidden-state geometry, and
attention-head function. We evaluate behavioral effects across four GPT-2 and two Qwen2.5 checkpoints, analyze layerwise geometry using centered kernel
alignment and intrinsic dimension, and examine
attention-head responses in GPT-2. Perturbation types produce distinguishable metric profiles that are not fully captured by output measures and are only partly consistent across the tested checkpoints. Copying scores show the strongest pooled associations with activation-patching recovery under
token substitution and shuffling, although these associations do not isolate copying-specific effects. Gradient-guided HotFlip perturbations also cause stronger behavioral and representational disruption than rate-matched random
token substitutions in GPT-2; their behavioral effects are consistent across all six tested checkpoints. Our results show that robustness claims based on a single behavioral or representational metric can be misleading, and motivate multi-level evaluation of how perturbations alter
language-model computation.
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All authors Dun Li Chan, Emily Liu, Niyathi Allu, Christian Hoang