Model Sensitivity

Optimizing industrial process flowsheets is often computationally prohibitive due to the high cost of rigorous simulations and the curse of dimensionality inherent in complex design spaces. To address these challenges, we present a reduced-space multi-fidelity Bayesian optimization (RS-MFBO) framework designed for high-dimensional, expensive black-box functions. The approach integrates Global Sensitivity Analysis (GSA) for dimensionality reduction with a fidelity-augmented Gaussian process that captures correlations between low-cost approximations and expensive high-fidelity evaluations. A cost-aware acquisition strategy, augmented with cooldown and promotion mechanisms, adaptively guides the allocation of samples across fidelities. The framework is validated on two distinct industrial process simulators: a plasmid DNA bioprocess in SuperPro Designer and a green fuel synthesis plant in Aspen HYSYS. Results across diverse economic and physical objectives demonstrate that the proposed method substantially reduces the number of high-fidelity simulator evaluations while maintaining competitive optimization performance compared to single-fidelity baselines. These results highlight RS-MFBO as a scalable, simulator-agnostic approach for cost-constrained black-box optimization.

On-policy self-distillation (OPSD) scores student-generated prefixes with a solution-conditioned self-teacher, yet transfers supervision only through next-token probabilities. We ask whether the aligned final-layer discrepancy offers a useful second channel, and how to test that channel without confusing its geometry with auxiliary strength. SCOPE-OPSD projects the privileged teacher-student residual onto a frozen rank-64 factor estimated from residual covariance and language-model-head Fisher sensitivity. It reuses the forwards already required by OPSD and adds neither rollouts nor inference-time modules. A matched Random control preserves the structured factor's rank and nonzero spectrum and uses per-arm gradient-RMS calibration, isolating the effect of the data-dependent orientation. Across the complete 25/50/75/100-step trajectories for Qwen3-1.7B, 4B, and 8B, Structured is never below Pure OPSD, with strict gains in 11 of the 12 model-checkpoint combinations and an exact tie at 4B step 25. Structured also exceeds matched Random in 10 of the 12 combinations. At step 75 on Qwen3-1.7B, Structured exceeds matched Random by 1.39 Macro Avg@12 points in each of two independent training reruns. A cross-fitted diagnostic also shows 4.40 times greater held-out privileged-gap capture than the matched random orientation. The results support a compact, Fisher-conditioned privileged subspace for short-budget OPSD.

LiDAR-based SLAM (Simultaneous Localization and Mapping) and LIO (LiDAR-inertial odometry) algorithms are often used for precise navigation of unmanned aerial vehicles, especially during interactions with the aerial robot's environment. However, the performance of these algorithms is greatly dependent on the scenario, LiDAR, and robot motion characteristics, often requiring an intensive tuning process to achieve the desired performance. To aid these tuning efforts, this paper analyzes the influence on performance of the parameters of an EKF-based LIO algorithm (FAST-LIO2) and the LIO module of a graph-based SLAM algorithm (Cartographer) on aerial LiDAR SLAM datasets recorded using different LiDARs in low-to-moderate-altitude flights in diverse environments. The analysis is conducted on the absolute trajectory error (ATE) resulting from processing the datasets with the LIO algorithms configured with each combination of parameters obtained in an exhaustive grid search. The relationship between individual parameters and the ATE results is assessed using Pearson's correlation, while the influence of each parameter is assessed using random forest permutation importance analyses with random forest models trained to predict the resulting ATE values based on the choice of parameters. The performed analysis obtains for Cartographer and FAST-LIO2: i) the identification of parameters with stronger influence in performance, ii) a simplified tuning procedure, and iii) tuning recommendations. Using the proposed tuning recommendations, both algorithms obtain on the analyzed datasets ATE values within 5 cm to the optimal performance found in the grid search procedure in 94% of the analyzed cases.

As deep learning models are increasingly deployed on resource constrained devices, the demand for efficient model optimization techniques continues to grow. Effective deployment of AI models on edge and low power platforms requires optimization methods that reduce model size and computational cost while maintaining high accuracy. This paper presents Quantization Analysis Tool, a practical system designed to streamline quantization workflows and support performance efficient model deployment. Built on the ONNX framework for broad interoperability, the tool provides detailed layer-wise sensitivity analysis, visualization of weight and activation distributions, and insights to guide precision selection. By identifying layers that are resilient or sensitive to reduced precision, the tool enables developers to make informed trade-offs between model size, latency, and accuracy. Experimental evaluations across multiple neural network architectures demonstrate that the tool effectively improves the quantized accuracy, leading to improved efficiency in real-world deployment scenarios. The tool also provides developers valuable insights into the effects on quantization on the model and its accuracy. This work highlights the tools capabilities, practical applications, and its role in enabling efficient AI model deployment through robust quantization analysis

AI image generators now create face portraits that are hard to tell from real photographs. Vision-language models (VLMs) are increasingly proposed to flag such images. We benchmarked 19 VLMs on the same 198 face portraits -- real photographs and identity-matched ChatGPT-4o and Imagen 3 versions -- under the same task as our earlier study of 1,667 adults (85% correct overall; accuracy fell steeply with age). The June-2026 cohort of 14 models only matched adults in their 20s-30s. Four weeks later the ceiling broke. Among five July-2026 releases under the identical protocol, gpt-5.6-sol reached 92.8% balanced accuracy (five-draw mean 92.1%), clearly above adults in their 20s (88.5%), and claude-fable-5 detected every AI image while averaging 91.9%. Model sensitivity now exceeds young adults decisively (d' up to 3.4 versus ~ 2.4). What has not been overtaken is human calibration. Model criteria spread from c = -1.10 to +1.45 while humans sit near zero at every age; both new leaders are biased (+0.44, -0.97), and only a few mid-ranked models approach the human balance. Changing the labelled examples still flipped about one answer in four. The best machines now out-see young adults here, without matching the human balance between suspicion and trust.

Modern vision systems must operate in "open-world" settings, where models must recognize known categories and detect unseen or anomalous content. Conventional semantic segmentation models operate under a "closed-world" assumption, often producing overconfident misclassifications on novel content. We address open-world semantic segmentation, the joint task of segmenting known classes while detecting and grouping novel or anomalous content without additional supervision, by extending a dual-decoder baseline with a third, complementary decoder within a unified encoder-decoder design. The first decoder performs closed-set segmentation using Gaussian prototypes for known categories. The second uses contrastive feature learning to isolate unknown regions in embedding space. The third, our key contribution, is a sensitivity decoder that captures fine-grained texture irregularities and activation instabilities indicative of semantic uncertainty, which neither semantic prototypes nor contrastive norms can reliably detect. The three decoders provide genuinely complementary signals: class-level OOD distance in logit space, global feature energy in embedding space, and local activation instability across encoder scales. Experiments on Cityscapes and BDD-Anomaly show that our method improves anomaly segmentation and novel-class discovery while maintaining competitive closed-set accuracy, with gains of +2.4% AUROC and a 2.5 pp. reduction in FPR@95TPR on BDD-Anomaly over the baseline.

High-throughput screening (HTS) assays are central to early-stage drug discovery but are often limited by extreme data sparsity, as primary screens typically use only a single replicate per test substance. This sparsity makes conventional machine-learning performance metrics, such as sensitivity, specificity, and area under the receiver operating characteristic curve (AUROC), difficult to estimate empirically because they require adequately sized labeled samples. Here, we introduce a model-based framework that derives these classification metrics from the strictly standardized mean difference (SSMD), a well-established HTS effect-size parameter. Under a Gaussian equal-variance assumption, we derive closed-form relationships linking SSMD to Youden-optimal sensitivity and specificity, and sensitivity at a preset specificity, yielding explicit estimators and exact confidence intervals from the noncentral t-distribution, even under single-replicate designs. Unlike classical statistical power, which approaches 1 as sample size grows regardless of how small the true non-zero difference between group means is, the SSMD-derived sensitivity converges to a finite population value that reflects the true degree of separation between two groups, making it a more meaningful and stable performance measure for hit selection. We demonstrate the utility of this framework in a hepatitis C virus primary siRNA screen comprising approximately 22,000 single-replicate measurements, showing that SSMD, AUROC, and sensitivity-based thresholds yield equivalent and interpretable hit sets. This work bridges classical HTS statistics and machine-learning evaluation theory, providing a statistically principled, reproducible way to estimate classification performance in ultra-low-replication screening workflows.

Variance-based global sensitivity analysis (GSA) plays a key role in uncertainty quantification by identifying the contributions of uncertain inputs to the variability of the model response. The repeated model evaluations required for these tasks are often prohibitively expensive; surrogate models provide an efficient alternative by constructing inexpensive approximations of the underlying system response. Constructing surrogate models that combine scalability and interpretability for systems with high-dimensional stochastic inputs and functional responses remains challenging, particularly when sensitivity estimates are required across spatial or temporal domains. Polynomial chaos expansion (PCE) provides an effective framework for uncertainty propagation and sensitivity analysis due to its orthogonal structure and direct relationship with variance-based sensitivity measures. However, PCE suffers from the curse of dimensionality, whose computational burden is amplified for problems with functional responses. In this work, we introduce the Structured Neural Chaos (sNC) expansion as a surrogate modeling framework for variance-based GSA, inspired by the interpretability and orthogonal structure of PCE. The proposed framework retains the interpretability of structured decompositions while leveraging the expressive power of neural networks. The sNC expansion mirrors a truncated functional ANOVA decomposition, where each interaction component admits a separable low-rank approximation whose basis functions and coefficients are parameterized by neural networks. The expansion is constructed sequentially, adaptively identifying the dominant modes within each ANOVA subspace and determining the effective complexity of the representation. The resulting structure enables the extraction of statistical and sensitivity quantities directly from the coefficients of the sNC expansion at negligible cost.

This work presents a comprehensive analysis and design of global sensitivity-based input shapers for a 3D Unmanned Aerial Vehicle-payload system, emphasizing robustness against uncertainties in payload mass and rope length. The proposed approach also leverages the Shapley value concept in controller design to systematically account for uncertainties, thereby reducing the controller's sensitivity to unknown parameters. To validate the effectiveness of the methodology, numerical simulations are conducted, comparing the proposed controller against non-robust, robust, and minimax designs. The results demonstrate that the standard global sensitivity or Shapley-based input shapers improve performance and offer a promising framework for uncertainty-aware control in aerial payload transport.

Given a model that is already trained, which features does it rely on causally versus spuriously? Existing methods require access to the training procedure and cannot answer this post-hoc. We introduce the \textbf{Normalised Sensitivity Ratio~(NSR)}, a post-hoc, model-agnostic diagnostic for this question under a structured-shift regime: environments differ primarily in the mean of spurious features while the causal mechanism and causal marginals remain stable, as in multi-site clinical data or multi-batch genomics. Within this regime, causal features induce constant model sensitivity across environments while spurious features track shift. NSR formalises this as the squared coefficient of variation of per-environment sensitivity. Under a linear structural causal model (SCM) with $K\ge3$ non-degenerate environments, NSR achieves exact identification (Theorem~1). We fully characterise failure: weak shifts ($O(\varepsilon^4)$ collapse), degenerate geometry, and proxy attenuation ($O((1-α)^4)$), giving practitioners quantitative criteria for assessing whether the regime holds. Finite-sample rates are $O_p(n^{-1})$ under the null and $O_p(n^{-1/2})$ under the alternative. Experiments confirm all theoretical predictions on synthetic data (area under the ROC curve [AUROC] $= 1.000$ under conditions satisfying the regime), show consistent rankings across five model families (Kendall $τ\ge0.529$), and recover six of eight causal features on bike-sharing data (Precision@7 $= 0.75$) without modifying any trained model.

Automated driving systems (ADSs) are becoming ubiquitous. Future Software Defined Vehicles (SDVs) may be able to run multiple ADSs, both native and aftermarket such as Comma.ai's Openpilot. Monitoring systems to independently verify which automated driving system is active are important for safety monitoring, regulatory compliance, insurance assessment, and anomaly detection. In this paper, we first evaluate the effectiveness of three sequence-based classification models: Gated Recurrent Units (GRU), Long Short-Term Memory (LSTM) networks, and a Transformer encoder model for identifying Level 2 automated driving systems using vehicle telematics data alone: Comma Openpilot, Tesla Autopilot, and Cadillac Super Cruise, along with manual driving. All three models achieve strong clean-data performance with macro F1-scores of 0.92 (GRU), 0.90 (LSTM), and 0.93 (Transformer encoder model) when trained on clean data; threat-matched training yields 0.904-0.916 macro F1 with only a modest clean-data penalty. Second, we introduce a modular robustness evaluation framework that simulates realistic telematics degradation through five corruption families at five severity levels (L1-L5). Continuous channels are perturbed using additive white Gaussian noise with cumulative drift, correlated cross-channel noise, and temporal jitter. Binary event signals are subjected to burst loss, delayed transitions, spurious toggles and cross-feature inconsistencies inspired by communication errors. Robustness is measured using macro-F1, which gives equal weight to each class and is suitable for imbalanced multiclass evaluation. Our evaluation reveals a sharp failure-mode split: event-level corruptions reduce macro-F1 only slightly (greater than equal to 0.87 at L5), while temporal jitter collapses macro-F1 to 0.44-0.50 across GRU, LSTM, and Transformer encoder model.

Multimodal large language models (MLLMs) require huge memory and computational costs, which limits their practical deployment. Post-training quantization (PTQ) techniques offer an efficient solution for model compression and inference acceleration. Yet, the quantized model faces performance degradation due to outlier channels, which are highly sensitive to quantization and substantially impair activation fidelity and task accuracy. To protect these salient channels during quantization, existing PTQ methods leverage modality- or token-level metrics to guide channel-wise scaling (CWS) of LLM decoders. However, these orthogonal measurements fail to capture channel-wise impacts on task-specific loss, and the misalignment between importance and scaling factors ultimately leads to suboptimal performance. To address this issue, we propose C-PTQ, a unified channel-wise PTQ method that harmonizes task-specific loss perturbation and quantization error. Motivated by second-order derivatives, we design a Fisher-weighted objective as a tractable Hessian approximation, seamlessly injecting task sensitivity into the scaling process. Notably, we achieve state-of-the-art performance without auxiliary modules like LoRA, thereby maintaining high efficiency. Experiments on Qwen2.5VL, InternVL2 and LLaVA-OV across 8 benchmarks demonstrate our effectiveness in both weight-only and weight-activation settings.

4-bit quantization enables efficient LLM inference, but suffers from significant accuracy degradation due to outliers. Prior work addresses this problem via data rotation or mixed-precision integer quantization, but often relies on software-managed scaling and frequent dequantization, incurring substantial overhead. Microscaling formats, such as MXINT, eliminate these inefficiencies by encoding scales in hardware, yet remain incompatible with rotation-based methods. Our analysis reveals that outliers vary in severity, from rare extremes to frequent mild deviations, and that quantization sensitivity is unevenly distributed across layers and columns. These insights motivate a fine-grained, sensitivity-guided approach. We introduce MXSens, a training-free method that assigns mixed mantissa bitwidths (4/6/8) based on column- and layer-wise sensitivity, naturally leveraging the block-wise structure of MXINT. MXSens outperforms state-of-the-art quantization methods across a range of models and tasks. Under the W4A4KV4 setting, MXSens achieves perplexities of 3.77 and 7.63 on LLaMA-2-70B and LLaMA-3-8B, respectively, substantially improving over existing baselines on WikiText-2. Our work establishes a new balance between accuracy and resource efficiency for LLM quantization.

We develop an adjoint-sensitivity framework for positional influence in causal residual Transformers and separate unconditional analytic results from conditional boundary-shape conclusions. The principal unconditional theorem is the residual-to-depth-flow estimate for layer controls converging in $L^1$, complemented by a finite-token-to-Volterra attention estimate that explicitly controls the first cells near the causal endpoint. We define a normalized adjoint-energy influence density and derive its exact evolution along full-batch gradient flow. The adjoint admits an exact generator-term decomposition into residual transmission, nonlocal Volterra, and local channels, including all covariance cross terms. Causal masking can amplify early-position sensitivity and residual identity paths can transmit a right-localized terminal bias, but neither mechanism alone forces a U-shaped profile. We therefore state boundary advantages under independently checkable energy, correlation, and local-channel bounds; these conditions are sufficient rather than necessary. Finite-token influence balancing, positional reweighting, and task-aligned observability are presented as diagnostics or regularizers with explicit differentiation requirements, computational costs, and limitations. Controlled simulations illustrate that each intervention controls its designated surrogate, while observability balance or outer-loop reweighting need not monotonically reduce the influence-based Lost-in-the-Middle diagnostic.

This work presents a game-theoretic framework for interpretable hyperparameter-objective interaction analysis rather than proposing a new optimization algorithm. In the proposed framework, Shapley Effects are employed for global sensitivity analysis, while Pareto front sets are utilized to identify effective hyperparameter configurations and support early-stage model evaluation. The resulting analysis reveals which players (hyperparameters) are most influential with respect to different objectives in a given game (application). Consequently, the proposed framework provides interpretable insights into objective-aware hyperparameter interactions, enabling practitioners to guide subsequent optimization, reduce the search space, and perform early-stage model evaluation. The effectiveness of the proposed framework is demonstrated using three distinct neural network architectures across different problem domains under multi-objective settings.

Accurate geometric calibration is essential for fluoroscopy-guided spinal imaging, digitally reconstructed radiograph (DRR) generation, and 2D--3D vertebral registration. Although calibration quality is typically evaluated using reconstruction-based metrics such as reprojection error, its influence on projection-domain consistency remains poorly understood. This study presents a synthetic framework for evaluating how intrinsic calibration perturbations affect vertebral fluoroscopic projections and downstream registration performance. CT-derived vertebral models and controlled cone-beam imaging geometry were used to generate DRRs with both ground-truth and perturbed intrinsic calibration parameters while maintaining identical anatomy and acquisition pose. Projection-domain changes were quantified using anatomical landmark displacement, contour distance, silhouette overlap, image similarity, and landmark-based 2D--3D registration accuracy in anterior--posterior (AP) and lateral (LAT) views. Results show that even small intrinsic calibration perturbations produce measurable changes in vertebral projection geometry, contour morphology, landmark localization, and DRR appearance. Sensitivity is strongly view dependent, with LAT projections exhibiting substantially greater deformation and anatomical displacement than AP projections. These projection inconsistencies also degrade downstream 2D--3D registration, particularly rotational alignment accuracy. The findings demonstrate that projection-domain consistency complements conventional reconstruction-based calibration metrics and provides a practical framework for assessing calibration robustness. This approach may improve the reliability of DRR generation and fluoroscopy-guided vertebral registration in image-guided spinal applications.

We propose Mix-QVLA, a task-evidence-aware mixed-precision PTQ framework for VLA models. Mix-QVLA anchors each quantized variant to the full-precision action-token reference decision and evaluates whether quantization preserves task-relevant evidence across key VLA functional boundaries. It computes normalized gradient-weighted task-evidence maps from boundary activations and compares full-precision and quantized maps using evidence-mass and attribution-distribution distortion, capturing changes in both the strength and allocation of decision-supporting evidence. A soft-bottleneck objective aggregates boundary-level degradation into layer-wise sensitivity scores. Mix-QVLA further models sensitivity throughout task execution, capturing phase-dependent shifts in layer importance rather than assuming a fixed sensitivity profile. The resulting evidence- and time-aware scores guide mixed-precision bit allocation under model-size and BitOps budgets. Extensive evaluations on OpenVLA-style policies show that Mix-QVLA improves the accuracy-efficiency trade-off of low-bit VLA deployment. On LIBERO, Mix-QVLA reduces OpenVLA-OFT memory from 15.4 GB to 4.1 GB, retains 96.3 average success compared with 97.1 for the BF16 model, and achieves a 1.52x inference speedup.

Deep neural networks have achieved strong performance in medical image classification, but often work like black-box. Commonly used post-hoc interpretation methods often provide heuristic visualizations whose relationship to the classifier's predictive distribution is indirect. This work introduces a local sensitivity analysis framework based on the input-dependent Fisher Information Matrix (iFIM) of a trained classifier. The iFIM characterizes how the classifier's predictive distribution changes under infinitesimal perturbations of the input image. By using a Gram-matrix formulation, the nonzero eigenspectrum of the iFIM can be recovered without explicitly forming the full image-dimensional Fisher matrix. The leading iFIM eigenspace is then used to project an input image into a high local-sensitivity component and its orthogonal component. These components provide a model-intrinsic description of local predictive sensitivity, rather than a conventional pixel-wise attribution heatmap or a causal segmentation of task-relevant anatomy. The framework is evaluated on controlled and clinical medical image classification tasks using multiple classifier architectures. Perturbation-based experiments show that high-sensitivity iFIM components are more strongly coupled to changes in predictive confidence and classification performance than lower-sensitivity complementary components. The results support the iFIM framework as a principled tool for analyzing local decision sensitivity and for complementing existing attribution-based interpretability methods in medical imaging.

Quantifying the influence of hybrid aleatory and epistemic uncertainties on high-dimensional system responses remains a major challenge in global sensitivity analysis (GSA). Existing Hilbert--Schmidt Independence Criterion (HSIC)-based approaches are primarily restricted to single-output settings and lack a rigorous decomposition of heterogeneous uncertainty sources and their interactions. To address this limitation, a novel double-space tensor-product RKHS framework is proposed for sensitivity analysis under hybrid uncertainty. By constructing factorized kernels over both the latent input space and the multidimensional output space, a concurrent double Möbius inversion is derived to orthogonally decompose the global dependence measure into pure aleatory effects, pure epistemic effects, and their interaction contributions. The resulting dimension-wise sensitivity indices preserve the uncertainty attribution structure across all output dimensions. To satisfy the independence assumptions required by the decomposition, an auxiliary-variable representation based on the inverse probability integral transform is introduced, enabling the treatment of hierarchical uncertainties and Copula-induced correlations within a unified latent space. A fully vectorized single-loop implementation is further developed to avoid the computational burden of nested Monte Carlo simulation. Statistical significance and estimation uncertainty are quantified through permutation testing and Bootstrap confidence intervals. Numerical studies on a modified multi-output Ishigami function and an aerodynamic pressure-field problem demonstrate the accuracy, scalability, and practical applicability of the proposed framework.

Evaluating generative spatial audio for First-Order Ambisonics (FOA) remains challenging due to a limited understanding of how metrics respond to changes in spatial parameters such as azimuth and elevation. We propose a framework to analyze metric sensitivity along continuous spatial trajectories, drawing on principles of sensitivity analysis in parametric sound synthesis. Using controlled FOA scenes with increasing scene complexity, we define three desiderata for metric behavior: Responsiveness, Smoothness, and Symmetry. We assess standard distribution-based and sample-based metrics, including Fréchet Audio Distance (FAD), intensity vectors, and acoustic maps. Our findings show that FAD using localization-specific embeddings and acoustic maps yield high Responsiveness and robust Smoothness and Symmetry across conditions, while intensity vectors degrade with increasing scene complexity. This is the first step towards investigating the sensitivity of metrics for generative spatial audio.

Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting. Recently, PAC-Bayesian margin-based generalization analysis substantially advances this line of research by providing a flexible and data-dependent analytical framework. However, existing robust analyses often rely on isotropic Gaussian posteriors and control weight perturbations in the full parameter space, which limits the ability to capture heterogeneous parameter sensitivity yet hinges on hidden-width-dependent complexity terms, resulting in not-tight-enough generalization bounds. In this paper, we extend a recently proposed sensitivity-aware PAC-Bayesian framework from deep neural networks to message passing GNNs (MPGNNs) and derive a tighter robust generalization bound in the adversarial setting. Specifically, we first quantify how sensitive the perturbations across different parameter blocks are to the network outputs by deriving the output Jacobians with respect to the weight parameters. Exploiting the fact that these Jacobian matrices have rank at most $K$ in $K$-class graph classification, we then construct Jacobian-aligned sensitivity matrices and use anisotropic Gaussian posteriors with optimized covariances to upper bound the KL divergence in a tight way. Notably, by refining the spectral-norm dependence on the learned weights and reducing the leading dimension factor from hidden-width-dependent terms to the number of classes $K$, our analysis yields much tighter robust generalization guarantees for MPGNNs, thereby guiding their designs to enhance adversarial robustness.

The robustness of deep neural networks is crucial for safety-critical deployments, yet existing evaluation methods are often attack-dependent and lack interpretability. We propose a principled, attack-agnostic robustness metric based on the spectral norm of the Fisher Information Matrix (FIM), which quantifies the worst-case sensitivity of the model's output distribution to input perturbations. Theoretically, we establish that the FIM equals the variance of the input Jacobian and derive closed-form spectral bounds for common architectures, including VGG, ResNet, DenseNet, and Transformer, providing the first theoretical robustness ranking. To enable scalable evaluation, we develop efficient algorithms, including power iteration and Hutchinson-based estimation, that support both white-box and black-box settings. Extensive experiments across multiple datasets, including CIFAR, ImageNet, and medical images, and across multiple architectures show a strong correlation between our metric and adversarial vulnerability. Our framework serves as an interpretable diagnostic tool that complements attack-based evaluations, offering insights into architectural sensitivity and guiding the design of more robust models. Code is available at: https://github.com/franz-chang/SRP/.

Physics-informed neural networks (PINNs) have become a promising framework for simulating partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, recent studies show that PINN optimisation is sensitive to numerical precision. Existing implementations commonly use either single precision (FP32), which is computationally efficient but prone to failure modes, or double precision (FP64), which is robust but substantially expensive. This creates a trade-off between computational efficiency and numerical accuracy. To reduce the computational cost of double-precision training while retaining prediction accuracy, we propose a curvature-aware precision controller that adapts numerical precision during training rather than treating it as a fixed implementation choice. The proposed method reuses curvature information derived from the limited-memory BFGS (L-BFGS) optimiser to construct a precision controller, retaining FP32 when lower precision is sufficient and promoting computation to FP64 when the training dynamics indicate numerical sensitivity or precision-limited stagnation. We evaluate the proposed approach on four canonical PINN failure-mode benchmarks and an irradiance-driven ordinary differential equation example. We further test the proposed approach across different neural network architectures. The method consistently matches or even slightly exceeds full FP64 solution accuracy while reducing training time relative to full double-precision training on all benchmark equations. The obtained results indicate that precision sensitivity in PINN optimisation is phase-dependent, and that selectively applying higher precision only during numerically critical stages can lower computational cost without sacrificing predictive accuracy.

Tabular foundation models (TFMs) increasingly rival tree ensembles, but their performance is often compute-inefficient: with standard affine scalar tokenization, each feature injects value variation through an essentially one-dimensional channel, and feature IDs/positional signals cannot increase within-feature value degrees of freedom, yielding weak early-layer value sensitivity and redundant hidden states. We present a unified tokenize-and-route framework for strong TFMs: RaBEL expands each scalar into compact localized RBF features (optionally exponent-gated) to improve conditioning and shallow-layer effective rank, while a reordered bidirectional block S->N->F aligns computation with the readout by aggregating cross-sample context before feature mixing and using attention pooling. Together, these changes yield LimiX-2M, a 2M-parameter model that outperforms larger TabPFN-v2 and TabICL baselines on widely used tabular benchmarks while reducing training and inference costs. These results highlight value-aware tokenization and readout-aligned routing as key levers for improving the accuracy--efficiency trade-off in TFMs. Model checkpoints and inference code are available at https://github.com/limix-ldm-ai/LimiX.

Surrogate models for topology optimization (TO) exhibit highly variable out-of-distribution (OOD) generalization under distribution shifts such as changing loads or boundary conditions, yet the source of this variability remains unclear. We hypothesize that OOD performance is governed by how much information the conditioning signal preserves about the adjoint sensitivity (reduced gradient) that drives classical TO. Modeling the TO pipeline as a causal Markov chain, the Data Processing Inequality establishes that, under this abstraction, the sensitivity field is an information-theoretically optimal conditioning signal for topology prediction. However, computing exact adjoint sensitivities can be expensive or unavailable in practice; we observe that certain physical fields can approximate sensitivities through monotone transformations. To formalize this, we introduce \textbf{pseudo-sensitivities} to characterize which fields enable generalization versus those that are information-poor. We then show that a sensitivity-conditioned Bernoulli flow-matching generator empirically confirms these predictions: conditioning on sensitivities yields state-of-the-art OOD performance, while increasingly distant physical fields degrade toward raw parameter conditioning. Results hold across structural TO benchmarks under load shifts and our new CFD-TO dataset under boundary-condition shifts such as multi-outlet configurations. Code and datasets are available at https://tum-pbs.github.io/topotransformer/ .

Large Language Models (LLMs) are increasingly used in clinical applications. However, their behavior remains highly sensitive to subtle linguistic variations, such as rephrasing or syntactic variation. This sensitivity poses risks in safety-critical healthcare settings, where semantically equivalent inputs should produce consistent predictions. However, a key challenge is to ensure that prompt variations truly preserve clinical meaning, as embedding-based similarity metrics often fail to capture distinctions involving negation, temporality, or severity. To address this limitation, we propose a semantic verification framework based on Natural Language Inference (NLI) to filter meaning-preserving prompt variations, which are further refined using an LLM-as-a-judge and audited by a clinical expert. In addition, we introduce three metrics to quantify model sensitivity: MeaningPreserving Variation Sensitivity (MVS), confidence variation (ΔC), and Worst-Case Instability (WCI). We evaluate 16 open-source general-purpose (GP) and medical LLMs within the same model families and parameter scales, using reformulated prompts derived from the DiagnosisQA and MedQA datasets. Our results demonstrate that robustness differences between domain-specific (DS) models are mixed and highly model-dependent, i.e., domain specialization does not consistently improve or reduce robustness to meaning-preserving prompt reformulations. Several DS models rank among the most robust (when compared with GP counterparts), and strong GP baselines remain competitive as well.

Safety alignment for large language models (LLMs) aims to reduce harmful or unsafe behavior while preserving general utility. However, recent findings reveal that alignment effects can be fragile: lightweight post-alignment manipulations, such as parameter noise, activation noise, or quantization, can easily weaken the intended safety behavior. Prior efforts to improve robustness have primarily focused on data curation, modified alignment objectives, and safety-critical parameter identification, leaving the role of the optimizer itself largely unexplored. In this paper, we are the first to study the robustness of safety alignment from the perspective of the base optimizer. This optimizer-centric view naturally points to zeroth-order optimization, which provides a robustness-oriented signal by evaluating safety alignment under perturbations. Based on this insight, we propose a hybrid framework that first performs standard first-order safety alignment and then applies zeroth-order refinement to improve robustness. Both theoretically and empirically, we show that only a few zeroth-order refinement steps can enhance robustness while preserving safety alignment. We further improve the efficiency of zeroth-order refinement by exploiting its inherent perturbation-based evaluations to estimate layer-wise robustness sensitivity, enabling the refinement process to concentrate updates on robustness-critical layers with modest training overhead.

Mechanistic interpretability often studies Transformer behavior by intervening on internal activations through activation patching, causal tracing, path patching, and steering directions. This paper develops Transformer Field Theory: a response-theoretic framework in which the residual stream of a fixed forward pass is treated as a Transformer field over layer depth and token position. In this formulation, patching becomes a localized source insertion into the Transformer field, first-order sensitivity fields predict patch effects, Green functions describe downstream propagation, and patch selection is posed as an adjoint inverse problem. Empirically, we test the theory's forward response objects in GPT-2-style autoregressive Transformers. Localized Transformer-field interventions exhibit a bounded local linear regime; first-order sensitivities predict patch effects across layer-token sites; localized sources generate structured anisotropic Transformer-field propagation; high-sensitivity sites and sliced Green operators provide reduced response descriptions; and prompt-induced Transformer-field displacements partially transfer answer behavior. These results establish sensitivities, Transformer-field responses, and sliced Green operators as practical objects for organizing patching experiments, while providing the forward mathematical basis for patch-site inference and cross-scale response transfer.

Vision foundation models (VFMs) have achieved strong performance across various vision tasks. However, it still remains challenging to apply VFMs for cross-domain few-shot segmentation (CD-FSS), which segments objects of novel classes under domain shifts using only a few labeled exemplars. The challenge is mainly driven by two factors: (1) limited labeled exemplars per novel class relative to the scale of VFM pre-training, making the model prone to overfitting during retraining, and (2) target-domain shifts underrepresented during pre-training, inducing cross-domain inconsistency and layer-wise sensitivity. To address these issues, we propose Hierarchical Exemplar Representation Adaptation (HERA), a three-stage select-regularize-calibrate VFM-based segmentation framework that learns effectively from limited labels and adapts to novel domains without source-data retraining. We first design Hierarchical Layer Selection (HLS) to adaptively identify the most informative VFM layer using a data-dependent Exemplar Transfer Risk (ETR) computed for each candidate layer. Then, Prior-Guided Regularization (PGR) regularizes interactions on the selected representation, yielding well-structured local signals for the subsequent stage. Furthermore, Pixelwise Adaptive Calibration (PAC) combines the selected representation with the refined interaction maps to calibrate pixel-wise predictions, producing consistent masks. Together, these stages form a hierarchical select-regularize-calibrate pipeline that guides frozen VFM features in new domains while fine-tuning less than 2.7% of parameters at test time. Extensive experiments show that HERA surpasses the state of the art by more than 4.1 mIoU across multiple CD-FSS benchmarks.

Decision tree ensembles (DTE) are a popular model for a wide range of AI classification tasks, used in multiple safety critical domains, and hence verifying properties on these models has been an active topic of study over the last decade. One such verification question is the problem of sensitivity, which asks, given a DTE, whether a small change in subset of features can lead to misclassification of the input. In this work, our focus is to build a quantitative notion of sensitivity, tailored to DTEs, by discretizing the input space of the model and enumerating the regions which are susceptible to sensitivity. We propose a novel algorithmic technique that can perform this computation efficiently, within a certified error and confidence bound. Our approach is based on encoding the problem as an algebraic decision diagram (ADD), and further splitting it into subproblems that can be solved efficiently and make the computation compositional and scalable. We evaluate the performance of our technique over benchmarks of varying size in terms of number of trees and depth, comparing it against the performance of model counters over the same problem encoding. Experimental results show that our tool XCount achieves significant speedup over other approaches and can scale well with the increasing sizes of the ensembles.

Causal sensitivity analysis aims to provide bounds for causal effect estimates in the presence of unobserved confounding. However, existing methods for causal sensitivity analysis are per-instance procedures, meaning that changes to the dataset, causal query, sensitivity level, or treatment require new computation. Here, we instead present an in-context learning approach. Specifically, we propose an amortized approach to causal sensitivity analysis based on prior-data fitted networks. A key challenge is that the sensitivity bounds are not directly available when sampling training data. To address this, we develop a general prior-data construction that is applicable across the class of generalized treatment sensitivity models. Our construction involves a Lagrangian scalarization of the objective to generate training labels for the bounds through a tradeoff between causal effect min/max-imization and sensitivity model violation, which avoids model-specific analytical derivations. We further show that, under standard convexity and linearity conditions, our objective recovers the full Pareto frontier of solutions. Empirically, we demonstrate our amortized approach across various datasets, causal queries, and sensitivity levels, where our approach achieves a test-time computation that is orders of magnitude faster than per-instance methods. To the best of our knowledge, ours is the first foundation model for in-context learning for causal sensitivity analysis.

Causal inference, especially in observational studies, relies on untestable assumptions about the true data-generating process. Sensitivity analysis helps us determine how robust our conclusions are when we alter these underlying assumptions. Existing frameworks for sensitivity analysis are concerned with worst-case changes in assumptions. In this work, we argue that using such pessimistic criteria can often become uninformative or lead to conclusions contradicting our prior knowledge about the world. To demonstrate this claim, we generalize the recent s-value framework (Gupta & Rothenhäusler, 2023) to estimate the sensitivity of three different common assumptions in causal inference. Empirically, we find that, indeed, worst-case conclusions about sensitivity can rely on unrealistic changes in the data-generating process. To overcome this, we extend the s-value framework with a new sensitivity analysis criterion: Bayesian Sensitivity Value (BSV), which computes the expected sensitivity of an estimate to assumption violations under priors constructed from real-world evidence. We use Monte Carlo approximations to estimate this quantity and illustrate its applicability in an observational study on the effect of diabetes treatments on weight loss.

Refusal rates are a poor proxy for LLM safety, i.e., a model may over-refuse benign prompts while still complying with harmful ones. We audit both failure modes across 21 open-weight LLMs on four safety benchmarks (OR-Bench, XSTest, ToxiGen, BOLD), using a composition adjustment to isolate model sensitivity from dataset toxicity confounds. We report three findings. First, models adopt fundamentally different calibration strategies: conservative ecosystems such as Llama suppress unsafe outputs at the cost of elevated over-refusals, while permissive ecosystems such as DeepSeek and Qwen preserve helpfulness but tolerate higher harmful compliance. Second, demographic protection is unequal: models over-protect prominent racial and religious groups, frequently refusing even benign prompts about them, while providing substantially weaker protection against disability-targeted attacks. Third, refusal and compliance tendencies are stable within model families across generations and scales, suggesting that post-training objectives shape safety behavior more than architecture. Our results call for joint, demographically-aware, and multi-judge safety evaluation.

Scene understanding is a vital part of autonomous driving systems, which requires the use of deep learning models. Deep learning methods are intrinsically black box models, which lack transparency and safety in autonomous driving. To make these systems transparent, multi-task visual understanding has become crucial for explainable autonomous driving perception systems, where simultaneous prediction of multiple driving behaviors and their underlying explanations is essential for safe navigation and human trust in autonomous vehicles. In order to design an accurate and cross-cultural explainable autonomous driving system, we introduce a comprehensive confidence threshold sensitivity analysis that evaluates various threshold values to identify optimal decision boundaries for different tasks. Our analysis demonstrates that traditional fixed threshold approaches are suboptimal for multi-task scenarios. Through extensive evaluation, we demonstrate that our adaptive threshold selection methodology improves F1-scores across different tasks. In addition, we introduce IUST-XAI-AD, a novel dataset consisting of 958 images with human annotations for driving decisions and corresponding reasoning. This dataset addresses the critical gap in domain-specific evaluation benchmarks for distinct driving contexts and provides a more challenging test environment compared to existing datasets. Experimental results demonstrate that confidence threshold sensitivity analysis can significantly improve model performance, while the introduction of the IUST-XAI-AD dataset reveals important insights about cross-cultural driving behavior patterns. The combined contributions of this work provide both methodological advances and practical evaluation tools that can accelerate the development of more reliable, explainable, and culturally-adaptive autonomous driving systems for global deployment.

Graph unlearning remains a critical technique for supporting privacy-preserving and sustainable multimodal graph learning. However, we observe that existing unlearning strategies tend to apply uniform parameter selection and editing across all graph neural network (GNN) layers, which is especially harmful for multimodal graphs where high-dimensional input projections encode dominant cross-modal knowledge. As a result, over-editing these sensitive layers often leads to catastrophic utility degradation after forgetting, undermining both stable learning and effective privacy protection. To address this gap, we propose FDQ, a Feature-Dimension Aware Quantile framework for multimodal graph unlearning. FDQ adaptively identifies high-dimensional input projection layers and applies more conservative, FDQ-guided quantile thresholds when constructing suppression sets, while keeping the underlying importance estimation mechanism unchanged. FDQ is seamlessly integrated with diagonal sensitivity-based parameter importance analysis to enable efficient node and edge unlearning under general forget requests. Through extensive experiments on Ele-Fashion and Goodreads-NC, we demonstrate that FDQ consistently achieves strong utility preservation while maintaining effective forgetting against membership inference attacks. Overall, FDQ offers a principled and robust solution for privacy-aware unlearning in high-dimensional multimodal graph systems.

Counterfactual prompting (i.e., perturbing a single factor and measuring output change) is widely used to evaluate things like LLM bias and CoT faithfulness. But in this work we argue that observed effects cannot be attributed to the targeted factor without accounting for baseline ``meaning-preserving'' modifications to text that establish general model sensitivity. This is because every counterfactual edit is a compound treatment that bundles the variable of interest with incidental surface-form variation; this violates treatment variation irrelevance. We observe prediction flip rates on MedQA of 14.9% when we surgically change patient gender. However, this is statistically indistinguishable from the flip rates induced by simply paraphrasing inputs (14.1%). In this case, it would therefore be unwarranted to conclude that the LLM is especially sensitive to patient gender. To account for this and robustly measure the effects of targeted interventions, we propose a framework in which we compare (via statistical testing) differences observed under target interventions to those induced by paraphrasing inputs. We then use this framework to revisit a analysis done on the MedPerturb dataset, which reported evidence of model sensitivity to patient demographics and stylistic cues. We find that these effects largely dissipate when we account for general model sensitivity, with only 5 of 120 tests reaching statistical significance. Applying the same framework to occupational biography classification, we detect clearly significant directional gender bias, showing that the framework identifies real directional effects even when they are small. We evaluate a range of metrics -- aggregate, per-sample distributional, and regression -- and find that per-sample metrics are dramatically more powerful than aggregate metrics and regression powerfully and uniquely characterizes effect direction and magnitude.

Stellar and AGN-driven feedback processes affect the distribution of gas on a wide range of scales, from within galaxies well into the intergalactic medium. Yet, it remains unclear how feedback, through its connection to key galaxy properties, shapes the radial gas density profile in the host halo. We tackle this question using suites of the EAGLE, IllustrisTNG, and Simba cosmological hydrodynamical simulations, which span a variety of feedback models. We develop a random forest algorithm that predicts the radial gas density profile within haloes from the total halo mass and five global properties of the central galaxy: gas and stellar mass; star formation rate; mass and accretion rate of the central black hole (BH). The algorithm reproduces the simulated gas density profiles with an average accuracy of $\sim$83-90% over the halo mass range $10^{9.5} \, \mathrm{M}_{\odot} < M_{\rm 200c} < 10^{15} \, \mathrm{M}_{\odot}$ and redshift interval $0<z<4$. For the first time, we apply Sobol statistical sensitivity analysis to full cosmological hydrodynamical simulations, quantifying how each feature affects the gas density as a function of distance from the halo centre. Across all simulations and redshifts, the total halo mass and the gas mass of the central galaxy are the most strongly tied to the halo gas distribution, while stellar and BH properties are generally less informative. The exact relative importance of the different features depends on the feedback scenario and redshift. Our framework can be readily embedded in semi-analytic models of galaxy formation to incorporate halo gas density profiles consistent with different hydrodynamical simulations. Our work also provides a proof of concept for constraining feedback models with future observations of galaxy properties and of the surrounding gas distribution.

Artificial intelligence (AI) has significantly improved medical screening accuracy, particularly in cancer detection and risk assessment. However, traditional classification metrics often fail to account for imbalanced data, varying performance across cohorts, and patient-level inconsistencies, leading to biased evaluations. We propose the cohort-attention evaluation metrics for tied data (CAT). CAT introduces patient-level assessment, entropy-based distribution weighting, and cohort-weighted sensitivity and specificity. Key metrics like CAT Sensitivity, CAT Specificity, and CAT Mean ensure balanced and fair evaluation across diverse populations. This approach enhances predictive reliability, fairness, and interpretability, providing a robust evaluation method for AI-driven medical screening models.