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Aug 10

Empirical Characterization of Rationale Stability Under Controlled Perturbations for Explainable Pattern Recognition

Reliable pattern recognition systems should exhibit consistent behavior across similar inputs, and their explanations should remain stable. However, most Explainable AI evaluations remain instance centric and do not explicitly quantify whether attribution patterns are consistent across samples that share the same class or represent small variations of the same input. In this work, we propose a novel metric aimed at assessing the consistency of model explanations, ensuring that models consistently reflect the intended objectives and consistency under label-preserving perturbations. We implement this metric using a pre-trained BERT model on the SST-2 sentiment analysis dataset, with additional robustness tests on RoBERTa, DistilBERT, and IMDB, applying SHAP to compute feature importance for various test samples. The proposed metric quantifies the cosine similarity of SHAP values for inputs with the same label, aiming to detect inconsistent behaviors, such as biased reliance on certain features or failure to maintain consistent reasoning for similar predictions. Through a series of experiments, we evaluate the ability of this metric to identify misaligned predictions and inconsistencies in model explanations. These experiments are compared against standard fidelity metrics to assess whether the new metric can effectively identify when a model's behavior deviates from its intended objectives. The proposed framework provides a deeper understanding of model behavior by enabling more robust verification of rationale stability, which is critical for building trustworthy AI systems. By quantifying whether models rely on consistent attribution patterns for similar inputs, the proposed approach supports more robust evaluation of model behavior in practical pattern recognition pipelines. Our code is publicly available at https://github.com/anmspro/ESS-XAI-Stability.

  • 4 authors
·
Apr 5

Probing the Robustness of Large Language Models Safety to Latent Perturbations

Safety alignment is a key requirement for building reliable Artificial General Intelligence. Despite significant advances in safety alignment, we observe that minor latent shifts can still trigger unsafe responses in aligned models. We argue that this stems from the shallow nature of existing alignment methods, which focus on surface-level refusal behaviors without sufficiently altering internal representations. Consequently, small shifts in hidden activations can re-trigger harmful behaviors embedded in the latent space. To explore the robustness of safety alignment to latent perturbations, we introduce a probing method that measures the Negative Log-Likelihood of the original response generated by the model. This probe quantifies local sensitivity in the latent space, serving as a diagnostic tool for identifying vulnerable directions. Based on this signal, we construct effective jailbreak trajectories, giving rise to the Activation Steering Attack (ASA). More importantly, these insights offer a principled foundation for improving alignment robustness. To this end, we introduce Layer-wise Adversarial Patch Training~(LAPT), a fine-tuning strategy that inject controlled perturbations into hidden representations during training. Experimental results highlight that LAPT strengthen alignment robustness without compromising general capabilities. Our findings reveal fundamental flaws in current alignment paradigms and call for representation-level training strategies that move beyond surface-level behavior supervision. Codes and results are available at https://github.com/Carol-gutianle/LatentSafety.

  • 10 authors
·
Jun 18, 2025

Beyond the Assistant Turn: User Turn Generation as a Probe of Interaction Awareness in Language Models

Standard LLM benchmarks evaluate the assistant turn: the model generates a response to an input, a verifier scores correctness, and the analysis ends. This paradigm leaves unmeasured whether the LLM encodes any awareness of what follows the assistant response. We propose user-turn generation as a probe of this gap: given a conversation context of user query and assistant response, we let a model generate under the user role. If the model's weights encode interaction awareness, the generated user turn will be a grounded follow-up that reacts to the preceding context. Through experiments across 11 open-weight LLMs (Qwen3.5, gpt-oss, GLM) and 5 datasets (math reasoning, instruction following, conversation), we show that interaction awareness is decoupled from task accuracy. In particular, within the Qwen3.5 family, GSM8K accuracy scales from 41% (0.8B) to 96.8% (397B-A17B), yet genuine follow-up rates under deterministic generation remain near zero. In contrast, higher temperature sampling reveals interaction awareness is latent with follow up rates reaching 22%. Controlled perturbations validate that the proposed probe measures a real property of the model, and collaboration-oriented post-training on Qwen3.5-2B demonstrates an increase in follow-up rates. Our results show that user-turn generation captures a dimension of LLM behavior, interaction awareness, that is unexplored and invisible with current assistant-only benchmarks.

On Code-Induced Reasoning in LLMs

Code data has been shown to enhance the reasoning capabilities of large language models (LLMs), but it remains unclear which aspects of code are most responsible. We investigate this question with a systematic, data-centric framework. We construct parallel instruction datasets in ten programming languages and apply controlled perturbations that selectively disrupt structural or semantic properties of code. We then finetune LLMs from five model families and eight scales on each variant and evaluate their performance on natural language, math, and code tasks. Across 3,331 experiments, our results show that LLMs are more vulnerable to structural perturbations than semantic ones, particularly on math and code tasks. Appropriate abstractions like pseudocode and flowcharts can be as effective as code, while encoding the same information with fewer tokens without adhering to original syntax can often retain or even improve performance. Remarkably, even corrupted code with misleading signals remains competitive when surface-level regularities persist. Finally, syntactic styles also shape task-specific gains with Python favoring natural language reasoning and lower-level languages such as Java and Rust favoring math. Through our systematic framework, we aim to provide insight into how different properties of code influence reasoning and inform the design of training data for enhancing LLM reasoning capabilities.

RA-Det: Towards Universal Detection of AI-Generated Images via Robustness Asymmetry

Recent image generators produce photo-realistic content that undermines the reliability of downstream recognition systems. As visual appearance cues become less pronounced, appearance-driven detectors that rely on forensic cues or high-level representations lose stability. This motivates a shift from appearance to behavior, focusing on how images respond to controlled perturbations rather than how they look. In this work, we identify a simple and universal behavioral signal. Natural images preserve stable semantic representations under small, structured perturbations, whereas generated images exhibit markedly larger feature drift. We refer to this phenomenon as robustness asymmetry and provide a theoretical analysis that establishes a lower bound connecting this asymmetry to memorization tendencies in generative models, explaining its prevalence across architectures. Building on this insight, we introduce Robustness Asymmetry Detection (RA-Det), a behavior-driven detection framework that converts robustness asymmetry into a reliable decision signal. Evaluated across 14 diverse generative models and against more than 10 strong detectors, RA-Det achieves superior performance, improving the average performance by 7.81 percent. The method is data- and model-agnostic, requires no generator fingerprints, and transfers across unseen generators. Together, these results indicate that robustness asymmetry is a stable, general cue for synthetic-image detection and that carefully designed probing can turn this cue into a practical, universal detector. The source code is publicly available at Github.

  • 7 authors
·
Jul 28

RoboLab: A High-Fidelity Simulation Benchmark for Analysis of Task Generalist Policies

The pursuit of general-purpose robotics has yielded impressive foundation models, yet simulation-based benchmarking remains a bottleneck due to rapid performance saturation and a lack of true generalization testing. Existing benchmarks often exhibit significant domain overlap between training and evaluation, trivializing success rates and obscuring insights into robustness. We introduce RoboLab, a simulation benchmarking framework designed to address these challenges. Concretely, our framework is designed to answer two questions: (1) to what extent can we understand the performance of a real-world policy by analyzing its behavior in simulation, and (2) which external factors most strongly affect that behavior under controlled perturbations. First, RoboLab enables human-authored and LLM-enabled generation of scenes and tasks in a robot- and policy-agnostic manner within a physically realistic and photorealistic simulation. With this, we propose the RoboLab-120 benchmark, consisting of 120 tasks categorized into three competency axes: visual, procedural, relational competency, across three difficulty levels. Second, we introduce a systematic analysis of real-world policies that quantify both their performance and the sensitivity of their behavior to controlled perturbations, indicating that high-fidelity simulation can serve as a proxy for analyzing performance and its dependence on external factors. Evaluation with RoboLab exposes significant performance gap in current state-of-the-art models. By providing granular metrics and a scalable toolset, RoboLab offers a scalable framework for evaluating the true generalization capabilities of task-generalist robotic policies.

nvidia NVIDIA
·
Apr 13 2

Silent Inconsistency in Data-Parallel Full Fine-Tuning: Diagnosing Worker-Level Optimization Misalignment

Data-parallel (DP) training with synchronous all-reduce is a dominant paradigm for full-parameter fine-tuning of large language models (LLMs). While parameter synchronization guarantees numerical equivalence of model weights after each iteration, it does not necessarily imply alignment of worker-level optimization dynamics before gradient aggregation. This paper identifies and studies this latent mismatch, termed silent inconsistency, where cross-worker divergence in losses and gradients can remain invisible under conventional aggregated monitoring signals. We propose a lightweight, model-agnostic diagnostic framework that quantifies worker-level consistency using training signals readily available in standard pipelines. Specifically, we introduce three complementary metrics: loss dispersion, gradient-norm dispersion, and gradient-direction consistency measured by inter-worker cosine similarity. The proposed metrics incur negligible overhead and require no modification to model architecture, synchronization mechanisms, or optimization algorithms. We validate the framework by fully fine-tuning the 1B-parameter openPangu-Embedded-1B-V1.1 model on the tatsu-lab/alpaca dataset using an 8-NPU DP setup, under controlled perturbations of cross-rank stochasticity. Experimental results show that progressively desynchronized data shuffling and random seeds lead to substantial increases in loss/gradient dispersion and reduced directional alignment, despite smooth globally averaged loss curves. These findings demonstrate that the proposed indicators provide actionable visibility into hidden instability modes in large-scale DP fine-tuning, enabling more reliable diagnosis and configuration assessment.

  • 7 authors
·
Feb 23

TARS: MinMax Token-Adaptive Preference Strategy for Hallucination Reduction in MLLMs

Multimodal large language models (MLLMs) enable vision-language reasoning, yet often generate plausible outputs that are factually incorrect or visually ungrounded, thereby compromising their reliability. Direct preference optimization (DPO) is a common strategy for correcting hallucinations by aligning model outputs with human preferences. Existing DPO strategies typically treat hallucination-related preferences as fixed targets, relying on static supervision signals during training. This approach tends to overfit to superficial linguistic cues in preference data, leading to distributional rigidity and spurious correlations that impair grounding in causally relevant visual information. To overcome this limitation, we propose TARS, a token-adaptive preference strategy that reformulates DPO as a min-max optimization problem. TARS maximizes token-level distributional shifts under semantic constraints to simulate alignment uncertainty, and simultaneously minimizes the expected preference loss under these controlled perturbations. This joint objective preserves causal grounding while mitigating overfitting to preference patterns, thereby reducing hallucinations in multimodal reasoning. We evaluate TARS on multiple hallucination benchmarks and find consistently strong performance. Using only 4.8k preference samples and no expert feedback, TARS reduces hallucination rates from 26.4% to 13.2% and decreases cognition value from 2.5 to 0.4. It outperforms standard DPO and matches GPT-4o on several key metrics.

  • 6 authors
·
Jul 29, 2025 2

AVBench: Human-Aligned and Automated Evaluation Benchmark for Audio-Video Generative Models

Rapid advances in audio-video (AV) generation have enabled high-fidelity synthesis with synchronized sound, particularly for human-related scenarios involving speech and interactions. Yet evaluation for AV generation remains at an early stage, with only a few coarse-grained benchmarks for human-related scenarios and relying on limited preset evaluations with generic multimodal LLMs, leading to inaccurate assessments of model capabilities. To address these issues, we introduce AVBench, a fully automated benchmark tailored for human-centric AV generation. AVBench is built on two key designs for comprehensive and accurate evaluation: (i) Human-centric and fine-grained metrics. AVBench integrates ten evaluation dimensions designed for human-centered real-world scenarios, covering visual quality, audio quality, and multi-level consistency across modalities. These practical metrics capture human-related details that existing benchmarks often overlook. (ii) Specialized evaluators via preference learning. To address the lack of specialized training data, we construct large-scale supervision by transforming real-world videos into diverse training pairs with controlled perturbations. After fine-tuning on this high-quality dataset, the evaluators learn to reliably detect subtle cross-modal inconsistencies. Crucially, instead of producing discrete textual judgment, AVBench derives continuous evaluation scores from the model's prediction confidence on binary decisions. This probabilistic scoring mechanism enables a more reliable assessment than traditional VQA-style evaluation and aligns closely with human judgment. Taken together, AVBench offers automated evaluation for AV generation, demonstrates strong potential for data filtering, and serves as a differentiable reward signal for Reinforcement Learning from Human Feedback (RLHF).

  • 9 authors
·
May 22

Feature-Selective Representation Misdirection for Machine Unlearning

As large language models (LLMs) are increasingly adopted in safety-critical and regulated sectors, the retention of sensitive or prohibited knowledge introduces escalating risks, ranging from privacy leakage to regulatory non-compliance to to potential misuse, and so on. Recent studies suggest that machine unlearning can help ensure deployed models comply with evolving legal, safety, and governance requirements. However, current unlearning techniques assume clean separation between forget and retain datasets, which is challenging in operational settings characterized by highly entangled distributions. In such scenarios, perturbation-based methods often degrade general model utility or fail to ensure safety. To address this, we propose Selective Representation Misdirection for Unlearning (SRMU), a novel principled activation-editing framework that enforces feature-aware and directionally controlled perturbations. Unlike indiscriminate model weights perturbations, SRMU employs a structured misdirection vector with an activation importance map. The goal is to allow SRMU selectively suppresses harmful representations while preserving the utility on benign ones. Experiments are conducted on the widely used WMDP benchmark across low- and high-entanglement configurations. Empirical results reveal that SRMU delivers state-of-the-art unlearning performance with minimal utility losses, and remains effective under 20-30\% overlap where existing baselines collapse. SRMU provides a robust foundation for safety-driven model governance, privacy compliance, and controlled knowledge removal in the emerging LLM-based applications. We release the replication package at https://figshare.com/s/d5931192a8824de26aff.

  • 4 authors
·
Dec 17, 2025

Mitigating Perceptual Judgment Bias in Multimodal LLM-as-a-Judge via Perceptual Perturbation and Reward Modeling

Recent multimodal large language models have demonstrated strong reasoning ability, yet their reliability as automated evaluators remains limited by a critical weakness: when visual evidence conflicts with textual cues, MLLM judges tend to reward plausible narratives over perceptually correct answers. We identify and systematically analyze this phenomenon, which we term Perceptual Judgment Bias. Through controlled visual perturbations, existing multimodal judges frequently anchor on the response text instead of their own visual perception, leading to inconsistent and non-verifiable evaluations. To address this issue, we introduce the Perceptually Perturbed Judgment Dataset, which constructs minimally edited counterfactual responses that isolate perceptual errors and enable verifiable supervision. Building on this dataset, we develop a unified training framework that combines a structured GRPO-based reward with a batch-ranking objective, achieving coherent global ordering without explicit pairwise labels. Experiments across diverse MLLM-as-a-Judge benchmarks show that our approach substantially improves perceptual fidelity, ranking coherence, and alignment with human evaluation. Our results establish a scalable and generalizable pathway for training multimodal judges that are perceptually grounded, interpretable, and robust to visual-reasoning conflicts.

kaist-ai KAIST AI
·
May 31 1

DiffRegCD: Integrated Registration and Change Detection with Diffusion Features

Change detection (CD) is fundamental to computer vision and remote sensing, supporting applications in environmental monitoring, disaster response, and urban development. Most CD models assume co-registered inputs, yet real-world imagery often exhibits parallax, viewpoint shifts, and long temporal gaps that cause severe misalignment. Traditional two stage methods that first register and then detect, as well as recent joint frameworks (e.g., BiFA, ChangeRD), still struggle under large displacements, relying on regression only flow, global homographies, or synthetic perturbations. We present DiffRegCD, an integrated framework that unifies dense registration and change detection in a single model. DiffRegCD reformulates correspondence estimation as a Gaussian smoothed classification task, achieving sub-pixel accuracy and stable training. It leverages frozen multi-scale features from a pretrained denoising diffusion model, ensuring robustness to illumination and viewpoint variation. Supervision is provided through controlled affine perturbations applied to standard CD datasets, yielding paired ground truth for both flow and change detection without pseudo labels. Extensive experiments on aerial (LEVIR-CD, DSIFN-CD, WHU-CD, SYSU-CD) and ground level (VL-CMU-CD) datasets show that DiffRegCD consistently surpasses recent baselines and remains reliable under wide temporal and geometric variation, establishing diffusion features and classification based correspondence as a strong foundation for unified change detection.

  • 3 authors
·
Dec 12, 2025

How Well Does GPT-4V(ision) Adapt to Distribution Shifts? A Preliminary Investigation

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

  • 11 authors
·
Dec 12, 2023

On Robustness and Chain-of-Thought Consistency of RL-Finetuned VLMs

Reinforcement learning (RL) fine-tuning has become a key technique for enhancing large language models (LLMs) on reasoning-intensive tasks, motivating its extension to vision language models (VLMs). While RL-tuned VLMs improve on visual reasoning benchmarks, they remain vulnerable to weak visual grounding, hallucinations, and over-reliance on textual cues. We show that simple, controlled textual perturbations--misleading captions or incorrect chain-of-thought (CoT) traces--cause substantial drops in robustness and confidence, and that these effects are more pronounced when CoT consistency is taken into account across open-source multimodal reasoning models. Entropy-based metrics further show that these perturbations reshape model uncertainty and probability mass on the correct option, exposing model-specific trends in miscalibration. To better understand these vulnerabilities, we further analyze RL fine-tuning dynamics and uncover an accuracy-faithfulness trade-off: fine-tuning raises benchmark accuracy, but can simultaneously erode the reliability of the accompanying CoT and its robustness to contextual shifts. Although adversarial augmentation improves robustness, it does not by itself prevent faithfulness drift. Incorporating a faithfulness-aware reward can restore alignment between answers and reasoning, but when paired with augmentation, training risks collapsing onto shortcut strategies and robustness remains elusive. Together, these findings highlight the limitations of accuracy-only evaluations and motivate training and assessment protocols that jointly emphasize correctness, robustness, and the faithfulness of visually grounded reasoning.

apple Apple
·
Feb 12 1

Proprio: Latent Self-Scoring and Inference-Time Refinement for Physically Plausible Video Generation

Modern video generative models produce visually impressive results, yet frequently violate basic physical principles. We propose Proprio, a training-free framework that enables a frozen video generator to assess and improve the physical plausibility of its own outputs. Inspired by proprioception, the biological sense of one's own movement, Proprio treats the model's flow residual under controlled latent perturbations as a self-scoring signal. Samples that are better explained by the generator's learned dynamics induce smaller and more stable residuals. We aggregate this signal across timesteps and perturbations, focus it on motion-relevant regions with a dynamic spatiotemporal mask, and use it for best-of-N search, gradient-based self-refinement, or both. Across text-to-video and image-to-video benchmarks, Proprio consistently improves physical plausibility, outperforming VLM-based scoring, and external world-model baselines in several settings. With TurboWan2.2, Proprio improves Physics-IQ from 32.2 to 37.5 (+16.5%) and VideoPhy2-hard physical commonsense from 45.6 to 55.0 (+20.6%). Human evaluation further shows that raters prefer Proprio-selected or refined videos for physical plausibility in roughly two-thirds of comparisons. These results suggest that frozen video generators contain actionable internal signals for evaluating and improving the physical plausibility of their own outputs.

  • 4 authors
·
May 26

Structured Proper Loss Geometries for Multiclass Classification: Theory and Controlled Empirical Evaluation

Strictly proper scoring rules identify the true conditional class distribution at population level, but their curvature can alter optimization and finite-sample behavior. We study three multiclass objectives: a class-aware quadratic Bregman score (CAPM), a strongly convex generator with constrained log-cosh ridges (HPG), and an HPG objective with an annealed probability-margin penalty (APMS). CAPM is treated as a structured instance of established quadratic scoring-rule theory. We derive conditional-regret, curvature, range, and logit-gradient bounds for CAPM and HPG, and prove exact penalty-range and conditional-target displacement bounds for APMS. Controlled five-seed experiments use Digits, Wisconsin breast cancer, and synthetic confusion and long-tail problems under clean labels, symmetric and pair-flip corruption, class imbalance, calibration evaluation, input corruption, and first-order adversarial perturbations. The candidates are close to cross-entropy on clean data and show descriptive gains in some noisy-label cells, but the five-seed comparisons are interpreted descriptively rather than as significance evidence. The selected noisy-label baselines perform better on Digits with 40% symmetric label noise, and explicit prior-adjustment methods perform better in the 30:1 synthetic long-tail experiment. Ablations do not show a consistent benefit from the candidate-specific graph, ridge, or margin components. The mathematical analysis establishes the stated properties, and the experiments delimit the empirical evidence; together they do not support a claim of general superiority.

  • 1 authors
·
Jun 27

Shallow Robustness, Deep Vulnerabilities: Multi-Turn Evaluation of Medical LLMs

Large language models (LLMs) are rapidly transitioning into medical clinical use, yet their reliability under realistic, multi-turn interactions remains poorly understood. Existing evaluation frameworks typically assess single-turn question answering under idealized conditions, overlooking the complexities of medical consultations where conflicting input, misleading context, and authority influence are common. We introduce MedQA-Followup, a framework for systematically evaluating multi-turn robustness in medical question answering. Our approach distinguishes between shallow robustness (resisting misleading initial context) and deep robustness (maintaining accuracy when answers are challenged across turns), while also introducing an indirect-direct axis that separates contextual framing (indirect) from explicit suggestion (direct). Using controlled interventions on the MedQA dataset, we evaluate five state-of-the-art LLMs and find that while models perform reasonably well under shallow perturbations, they exhibit severe vulnerabilities in multi-turn settings, with accuracy dropping from 91.2% to as low as 13.5% for Claude Sonnet 4. Counterintuitively, indirect, context-based interventions are often more harmful than direct suggestions, yielding larger accuracy drops across models and exposing a significant vulnerability for clinical deployment. Further compounding analyses reveal model differences, with some showing additional performance drops under repeated interventions while others partially recovering or even improving. These findings highlight multi-turn robustness as a critical but underexplored dimension for safe and reliable deployment of medical LLMs.

  • 5 authors
·
Oct 14, 2025

Trace-Level Analysis of Information Contamination in Multi-Agent Systems

Reasoning over heterogeneous artifacts (PDFs, spreadsheets, slide decks, etc.) increasingly occurs within structured agent workflows that iteratively extract, transform, and reference external information. In these workflows, uncertainty is not merely an input-quality issue: it can redirect decomposition and routing decisions, reshape intermediate state, and produce qualitatively different execution trajectories. We study this phenomenon by treating uncertainty as a controlled variable: we inject structured perturbations into artifact-derived representations, execute fixed workflows under comprehensive logging, and quantify contamination via trace divergence in plans, tool invocations, and intermediate state. Across 614 paired runs on 32 GAIA tasks with three different language models, we find a decoupling: workflows may diverge substantially yet recover correct answers, or remain structurally similar while producing incorrect outputs. We characterize three manifestation types: silent semantic corruption, behavioral detours with recovery, and combined structural disruption and their control-flow signatures (rerouting, extended execution, early termination). We measure operational costs and characterize why commonly used verification guardrails fail to intercept contamination. We contribute (i) a formal taxonomy of contamination manifestations in structured workflows, (ii) a trace-based measurement framework for detecting and localizing contamination across agent interactions, and (iii) empirical evidence with implications for targeted verification, defensive design, and cost control.

  • 3 authors
·
Apr 29

Visual Persuasion: What Influences Decisions of Vision-Language Models?

The web is littered with images, once created for human consumption and now increasingly interpreted by agents using vision-language models (VLMs). These agents make visual decisions at scale, deciding what to click, recommend, or buy. Yet, we know little about the structure of their visual preferences. We introduce a framework for studying this by placing VLMs in controlled image-based choice tasks and systematically perturbing their inputs. Our key idea is to treat the agent's decision function as a latent visual utility that can be inferred through revealed preference: choices between systematically edited images. Starting from common images, such as product photos, we propose methods for visual prompt optimization, adapting text optimization methods to iteratively propose and apply visually plausible modifications using an image generation model (such as in composition, lighting, or background). We then evaluate which edits increase selection probability. Through large-scale experiments on frontier VLMs, we demonstrate that optimized edits significantly shift choice probabilities in head-to-head comparisons. We develop an automatic interpretability pipeline to explain these preferences, identifying consistent visual themes that drive selection. We argue that this approach offers a practical and efficient way to surface visual vulnerabilities, safety concerns that might otherwise be discovered implicitly in the wild, supporting more proactive auditing and governance of image-based AI agents.

  • 4 authors
·
Feb 16 2

CATO: Charted Attention for Neural PDE Operators

Neural operators have emerged as powerful data-driven solvers for PDEs, offering substantial acceleration over classical numerical methods. However, existing transformer-based operators still face critical challenges when modeling PDEs on complex geometries: directly processing over massive mesh points is computationally expensive, while operating in raw discretization coordinates may obscure the intrinsic geometry where physical interactions are more naturally expressed. To address these limitations, we introduce the Charted Axial Transformer Operator (CATO), a geometry-adaptive and derivative-aware neural operator for PDEs on general geometries. Instead of applying attention directly in the physical coordinate system, CATO learns a continuous latent chart that maps mesh coordinates into a learned chart space, where chart-conditioned axial attention efficiently captures long-range dependencies with reduced computational cost. In addition, CATO introduces a derivative-aware physics loss for steady-state PDEs that jointly supervises solution values, mesh-consistent gradients, and an auxiliary flux-like field, improving physical fidelity and reducing oversmoothing. We further provide a theoretical approximation result showing that, under a favorable chart, charted axial attention can represent low-rank axial solution operators with controlled error, and that small chart perturbations induce bounded approximation degradation. CATO achieves the best performance across all evaluated datasets, yielding an average improvement of approximately 26.76\% over the strongest competing baselines while reducing the number of parameters by 81.98\%. These results highlight the effectiveness of learning geometry-adaptive charts and derivative-aware physical supervision for accurate and efficient PDE operator learning.

  • 4 authors
·
May 8

The Paradox of Robustness: Decoupling Rule-Based Logic from Affective Noise in High-Stakes Decision-Making

While Large Language Models (LLMs) are widely documented to be sensitive to minor prompt perturbations and prone to sycophantic alignment with user biases, their robustness in consequential, rule-bound decision-making remains under-explored. In this work, we uncover a striking "Paradox of Robustness": despite their known lexical brittleness, instruction-tuned LLMs exhibit a behavioral and near-total invariance to emotional framing effects. Using a novel controlled perturbation framework across three high-stakes domains (healthcare, law, and finance), we quantify a robustness gap where LLMs demonstrate 110-300 times greater resistance to narrative manipulation than human subjects. Specifically, we find a near-zero effect size for models (Cohen's h = 0.003) compared to the substantial biases observed in humans (Cohen's h in [0.3, 0.8]). This result is highly counterintuitive and suggests the mechanisms driving sycophancy and prompt sensitivity do not necessarily translate to a failure in logical constraint satisfaction. We show that this invariance persists across models with diverse training paradigms. Our findings show that while LLMs may be "brittle" to how a query is formatted, they are remarkably "stable" against why a decision should be biased. Our findings establish that instruction-tuned models can decouple logical rule-adherence from persuasive narratives, offering a source of decision stability that complements, and even potentially de-biases, human judgment in institutional contexts. We release the 162-scenario benchmark, code, and data to facilitate the rigorous evaluation of narrative-induced bias and robustness on GitHub.com.

  • 2 authors
·
Jan 29

Understanding the Physics of Key-Value Cache Compression for LLMs through Attention Dynamics

As context windows in LLMs scale to 100K+ tokens, the key-value (KV) cache becomes the dominant memory bottleneck, with recent methods claiming 80-90% savings and minimal benchmark degradation. We argue these evaluations miss a structural issue: attention is not just storage but routing, and retaining KV pairs does not guarantee semantic accessibility. We propose a physics-inspired view of KV compression as a controlled perturbation of token-level routing, distinguishing retention, accessibility, and utilization. Using synthetic tasks probing multi-entity tracking, disambiguation, coreference, and multi-hop reasoning, we find that moderate compression degrades internal representations with little accuracy loss, revealing redundancy; all models exhibit a sharp hallucination safety cliff near 90% compression, correlated with spikes in Global Eviction Ratio (GER), suggesting a phase transition in semantic reachability; and architectures differ in routing dynamics, with LLaMA showing early consensus and late diversification, and Qwen showing funnel-like late convergence, leading to distinct resilience profiles. Beyond erasure, we identify representational rigidity, where excessive head-level consensus collapses routing flexibility despite token survival. These results suggest sparse token-route structures govern compression tolerance, reframing KV compression as a structural probe of attention geometry and linking long-context scalability to sparsity and the lottery ticket hypothesis in self-attention.

  • 3 authors
·
Mar 1

EVA-Bench: A New End-to-end Framework for Evaluating Voice Agents

Voice agents, artificial intelligence systems that conduct spoken conversations to complete tasks, are increasingly deployed across enterprise applications. However, no existing benchmark jointly addresses two core evaluation challenges: generating realistic simulated conversations, and measuring quality across the full scope of voice-specific failure modes. We present EVA-Bench, an end-to-end evaluation framework that addresses both. On the simulation side, EVA-Bench orchestrates bot-to-bot audio conversations over dynamic multi-turn dialogues, with automatic simulation validation that detects user simulator error and appropriately regenerates conversations before scoring. On the measurement side, EVA-Bench introduces two composite metrics: EVA-A (Accuracy), capturing task completion, faithfulness, and audio-level speech fidelity; and EVA-X (Experience), capturing conversation progression, spoken conciseness, and turn-taking timing. Both metrics apply to different agent architectures, enabling direct cross-architecture comparison. EVA-Bench includes 213 scenarios across three enterprise domains, a controlled perturbation suite for accent and noise robustness, and pass@1, pass@k, pass^k measurements that distinguish peak from reliable capability. Across 12 systems spanning all three architectures, we find: (1) no system simultaneously exceeds 0.5 on both EVA-A pass@1 and EVA-X pass@1; (2) peak and reliable performance diverge substantially (median pass@k - pass^k gap of 0.44 on EVA-A); and (3) accent and noise perturbations expose substantial robustness gaps, with effects varying across architectures, systems, and metrics (mean up to 0.314). We release the full framework, evaluation suite, and benchmark data under an open-source license.

ServiceNow-AI ServiceNow-AI
·
May 12 4

Precision Is Not Faithfulness: Coverage-Aware Evaluation of Grounded Generation with a Complete Oracle

Reference-free faithfulness metrics verify each atomic claim a model makes against ground truth, and are increasingly used to evaluate grounded generation. We show they share a blind spot: they measure only precision -- are the stated claims supported? -- and therefore reward abstention, since a model can score near-perfect faithfulness by saying almost nothing. We make this measurable using Formula 1 telemetry, a domain where strategic ground truth is derived deterministically and, crucially, completely: for each decision we know the full set of facts that mattered. This completeness -- absent in open-domain faithfulness benchmarks -- lets us measure recall (coverage of the relevant facts) exactly, alongside precision. On a multilingual (EN/ES/PT) benchmark of 7,253 decision instances spanning 150 races, the most precise frontier model covers under half of the relevant facts and ranks last by F1, so requiring coverage reorders the systems; the same effect reappears in a second complete-oracle domain (NOAA weather forecasts). A prompt ablation shows the low coverage is not an under-prompting artifact: explicitly asking models to be thorough does not close the gap. We pair faithfulness with coverage into a single score, validate the metric (controlled perturbation; agreement across a model-free regex extractor and a cross-family LLM extractor, system-level Spearman 1.0), and give a verifier-guided generation method that improves precision and recall without references. We release the benchmark, structured annotations, metric, baselines, and an interactive demo.

  • 1 authors
·
Jun 7 6

AgentAbstain: Do LLM Agents Know When Not to Act?

Agent systems based on large language models (LLMs) are increasingly deployed for autonomous tasks, yet existing evaluations mostly focus on task success rather than whether agents know when to abstain. This gap poses real risks: under ambiguity, conflicting constraints, or tool failures, agents may execute unintended and irreversible actions. To close this gap, we present the first systematic evaluation framework for agentic abstention: the calibrated ability of tool-using LLM agents to recognize when not to act. At its core, AgentAbstain is a paired-task benchmark built on an agent-native taxonomy of 8 abstention scenarios across pre-execution reasoning and runtime discovery. It contains 263 paired tasks across 42 executable sandbox environments, where each pair consists of a should-act task and a should-abstain variant produced through a controlled perturbation to the instruction, tool, or environment state. To scale this paired design and resist data contamination, we propose AbstainGen, a fully automated pipeline that synthesizes sandbox environments and generates paired tasks end-to-end, validated by deterministic replay and semantic LLM judges; fresh task instances can be regenerated on demand, and three independent annotators rate 94-98% of sampled tasks as well-designed. Across 17 frontier LLMs in 4 agent harnesses, the best agent (Gemini 3.1 Pro) achieves only 59.5% paired accuracy (correct on both the act and abstain sides of each paired task). More importantly, abstention capability is largely independent of general task-solving capability, indicating that scaling task-solving alone will not close this gap. We further identify failure modes such as post-hoc abstention, in which agents execute irreversible actions before recognizing abstention triggers. Our code and dataset are open-sourced at agentabstain.github.io.

  • 8 authors
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Jul 10

PerturbDiff: Functional Diffusion for Single-Cell Perturbation Modeling

Building Virtual Cells that can accurately simulate cellular responses to perturbations is a long-standing goal in systems biology. A fundamental challenge is that high-throughput single-cell sequencing is destructive: the same cell cannot be observed both before and after a perturbation. Thus, perturbation prediction requires mapping unpaired control and perturbed populations. Existing models address this by learning maps between distributions, but typically assume a single fixed response distribution when conditioned on observed cellular context (e.g., cell type) and the perturbation type. In reality, responses vary systematically due to unobservable latent factors such as microenvironmental fluctuations and complex batch effects, forming a manifold of possible distributions for the same observed conditions. To account for this variability, we introduce PerturbDiff, which shifts modeling from individual cells to entire distributions. By embedding distributions as points in a Hilbert space, we define a diffusion-based generative process operating directly over probability distributions. This allows PerturbDiff to capture population-level response shifts across hidden factors. Benchmarks on established datasets show that PerturbDiff achieves state-of-the-art performance in single-cell response prediction and generalizes substantially better to unseen perturbations. See our project page (https://katarinayuan.github.io/PerturbDiff-ProjectPage/), where code and data will be made publicly available (https://github.com/DeepGraphLearning/PerturbDiff).

  • 6 authors
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Feb 22

SNIC bifurcation and its Application to MEMS

This project focuses on a method to extract a frequency comb in mechanical means, for general interest and numerous practical applications in MEMS. The method of execution is the implementation of a beam that is exhibiting non-linear dynamics that is perturbed and analyzed for its transverse vibrations. The perturbation is an external harmonic driver with a chosen small amplitude and frequency (which is slightly detuned from the beam eigenfrequency), that when engaged with the unperturbed beam oscillations, causes it reach a state of "injection pulling" - an effect that occurs when one harmonic oscillator is coupled with a second one and causes it to oscillate in a frequency near its own. This causes the beam to reach SNIC bifurcation, rendering a frequency comb as desired. Theoretical analysis showed that the problem can be modelled using a non-linear equation of the beam, that translates to a form of the non-linear Duffing equation. While a solution to the dynamics function of the beam is hard to obtain in practice due to mathematical difficulties, a slow evolution model is suggested that is composed of functions of a amplitude and phase. Using several additional mathematical assumptions, the amplitude is seen to be related to the phase, while the phase equation solution is seen to be of the form of Adler's equation. These assumptions ultimately reduce the entire behaviour of the beam to a relatively simple solution to the Adler equation, which has a known analytical solution. Computerized numerical simulations are run on it to check the results and compare them to the theory and desired outcome. The results agreed with the theory and produce the expected frequency comb, showing the assumptions to be valid in extracting the comb.

  • 1 authors
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Aug 24, 2025

Geometric coherence of single-cell CRISPR perturbations reveals regulatory architecture and predicts cellular stress

Genome engineering has achieved sequence-level precision, yet predicting the transcriptomic state a cell will occupy after perturbation remains open. Single-cell CRISPR screens measure how far cells move, but effect magnitude ignores whether the cells move together. We introduce Shesha perturbation stability (S_p), which quantifies directional coherence as the mean cosine similarity between individual cell shift vectors and the mean perturbation direction. Across five CRISPR datasets (2,200+ perturbations), stability correlates with magnitude (Spearman ρ= 0.75--0.97), but discordant cases expose regulatory architecture: pleiotropic regulators such as CEBPA pay a ``geometric tax,'' producing large but incoherent shifts, while lineage-specific factors such as KLF1 produce coordinated responses. S_p and Song et al.'s perturbation-response score (PS) share partial overlap (ρ_{partial} = +0.51 after controlling for magnitude), but S_p provides significant incremental prediction of UPR pathway activation beyond both PS and magnitude (p < 10^{-18}). In a split-half reproducibility assay, S_p predicts directional reproducibility beyond magnitude (ρ_{partial} = +0.384) while PS does not (ρ_{partial} = -0.193), with the advantage consistent across all magnitude strata and both datasets. Geometric instability is independently associated with UPR activation across four datasets. S_p is implemented in the open-source shesha-geometry Python package.

  • 1 authors
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Jun 21 2

STRAND: Sequence-Conditioned Transport for Single-Cell Perturbations

Predicting how genetic perturbations change cellular state is a core problem for building controllable models of gene regulation. Perturbations targeting the same gene can produce different transcriptional responses depending on their genomic locus, including different transcription start sites and regulatory elements. Gene-level perturbation models collapse these distinct interventions into the same representation. We introduce STRAND, a generative model that predicts single-cell transcriptional responses by conditioning on regulatory DNA sequence. STRAND represents a perturbation by encoding the sequence at its genomic locus and uses this representation to parameterize a conditional transport process from control to perturbed cell states. Representing perturbations by sequence, rather than by a fixed set of gene identifiers, supports zero-shot inference at loci not seen during training and expands inference-time genomic coverage from ~1.5% for gene-level single-cell foundation models to ~95% of the genome. We evaluate STRAND on CRISPR perturbation datasets in K562, Jurkat, and RPE1 cells. STRAND improves discrimination scores by up to 33% in low-sample regimes, achieves the best average rank on unseen gene perturbation benchmarks, and improves transfer to novel cell lines by up to 0.14 in Pearson correlation. Ablations isolate the gains to sequence conditioning and transport, and case studies show that STRAND resolves functionally alternative transcription start sites missed by gene-level models.

  • 8 authors
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Feb 9

scDFM: Distributional Flow Matching Model for Robust Single-Cell Perturbation Prediction

A central goal in systems biology and drug discovery is to predict the transcriptional response of cells to perturbations. This task is challenging due to the noisy and sparse nature of single-cell measurements, as well as the fact that perturbations often induce population-level shifts rather than changes in individual cells. Existing deep learning methods typically assume cell-level correspondences, limiting their ability to capture such global effects. We present scDFM, a generative framework based on conditional flow matching that models the full distribution of perturbed cells conditioned on control states. By incorporating a maximum mean discrepancy (MMD) objective, our method aligns perturbed and control populations beyond cell-level correspondences. To further improve robustness to sparsity and noise, we introduce the Perturbation-Aware Differential Transformer (PAD-Transformer), a backbone architecture that leverages gene interaction graphs and differential attention to capture context-specific expression changes. Across multiple genetic and drug perturbation benchmarks, scDFM consistently outperforms prior methods, demonstrating strong generalization in both unseen and combinatorial settings. In the combinatorial setting, it reduces mean squared error by 19.6% relative to the strongest baseline. These results highlight the importance of distribution-level generative modeling for robust in silico perturbation prediction. The code is available at https://github.com/AI4Science-WestlakeU/scDFM

  • 4 authors
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Feb 5

A Novel Bifurcation Method for Observation Perturbation Attacks on Reinforcement Learning Agents: Load Altering Attacks on a Cyber Physical Power System

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

  • 3 authors
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Jul 6, 2024

On the Dynamics of Acceleration in First order Gradient Methods

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

  • 5 authors
·
Sep 22, 2025

Chreode: A Cell World Model for One-Step Temporal Dynamics and Perturbation Prediction

Predicting how a cell will change its transcriptional state under a developmental signal or a genetic perturbation is the computational core of in-silico biology and the AI Virtual Cell program. Existing approaches either fit static control-to-treated maps that discard time, or solve multi-step ODE / Schrödinger-bridge problems on each dataset independently. We introduce Chreode, a one-step cell world model that predicts action-conditioned cell-state transitions through a structured residual transition operator. It shifts distributional evolution from inference time to training time, enabling single-pass generation while preserving a Waddington-inspired decomposition into downhill landscape flow, rotational in-tangent dynamics, and stochastic spread. The model is pretrained with a shared scVI encoder and a DiT-based dynamics backbone on a 2.4M-cell mouse embryonic atlas spanning 7 datasets. As a fine-tuning initialization, Chreode improves per-target Sinkhorn distance on Weinreb hematopoiesis and Veres islet differentiation over matched scratch models, PI-SDE, and PRESCIENT. As a transferable gene-state embedding for GEARS, the pretrained dynamics representation reduces shared-vocabulary DE20 mean squared error on Norman Perturb-seq from 0.2121 to 0.1858, a 12.4% relative improvement, without changing the GEARS training procedure. We interpret this transfer to perturbation prediction as evidence that pretrained developmental-trajectory dynamics encode differentiation primitives transferable to CRISPR-induced state shifts, since both involve cell-state transitions in a shared latent geometry. The pretrained backbone additionally produces zero-shot clonal fate scores on Weinreb that are competitive with strong dynamic-OT baselines.

  • 7 authors
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May 26

THE COLOSSEUM: A Benchmark for Evaluating Generalization for Robotic Manipulation

To realize effective large-scale, real-world robotic applications, we must evaluate how well our robot policies adapt to changes in environmental conditions. Unfortunately, a majority of studies evaluate robot performance in environments closely resembling or even identical to the training setup. We present THE COLOSSEUM, a novel simulation benchmark, with 20 diverse manipulation tasks, that enables systematical evaluation of models across 14 axes of environmental perturbations. These perturbations include changes in color, texture, and size of objects, table-tops, and backgrounds; we also vary lighting, distractors, physical properties perturbations and camera pose. Using THE COLOSSEUM, we compare 5 state-of-the-art manipulation models to reveal that their success rate degrades between 30-50% across these perturbation factors. When multiple perturbations are applied in unison, the success rate degrades geq75%. We identify that changing the number of distractor objects, target object color, or lighting conditions are the perturbations that reduce model performance the most. To verify the ecological validity of our results, we show that our results in simulation are correlated (R^2 = 0.614) to similar perturbations in real-world experiments. We open source code for others to use THE COLOSSEUM, and also release code to 3D print the objects used to replicate the real-world perturbations. Ultimately, we hope that THE COLOSSEUM will serve as a benchmark to identify modeling decisions that systematically improve generalization for manipulation. See https://robot-colosseum.github.io/ for more details.

  • 6 authors
·
Feb 12, 2024

CFG-Ctrl: Control-Based Classifier-Free Diffusion Guidance

Classifier-Free Guidance (CFG) has emerged as a central approach for enhancing semantic alignment in flow-based diffusion models. In this paper, we explore a unified framework called CFG-Ctrl, which reinterprets CFG as a control applied to the first-order continuous-time generative flow, using the conditional-unconditional discrepancy as an error signal to adjust the velocity field. From this perspective, we summarize vanilla CFG as a proportional controller (P-control) with fixed gain, and typical follow-up variants develop extended control-law designs derived from it. However, existing methods mainly rely on linear control, inherently leading to instability, overshooting, and degraded semantic fidelity especially on large guidance scales. To address this, we introduce Sliding Mode Control CFG (SMC-CFG), which enforces the generative flow toward a rapidly convergent sliding manifold. Specifically, we define an exponential sliding mode surface over the semantic prediction error and introduce a switching control term to establish nonlinear feedback-guided correction. Moreover, we provide a Lyapunov stability analysis to theoretically support finite-time convergence. Experiments across text-to-image generation models including Stable Diffusion 3.5, Flux, and Qwen-Image demonstrate that SMC-CFG outperforms standard CFG in semantic alignment and enhances robustness across a wide range of guidance scales. Project Page: https://hanyang-21.github.io/CFG-Ctrl

Perturbation Probing: A Two-Pass-per-Prompt Diagnostic for FFN Behavioral Circuits in Aligned LLMs

Perturbation probing generates task-specific causal hypotheses for FFN neurons in large language models using two forward passes per prompt and no backpropagation, followed by a one-time intervention sweep of about 150 passes amortized across all identified neurons. Across eight behavioral circuits, 13 models, and four architecture families, we identify two circuit structures that organize LLM behavior. Opposition circuits appear when RLHF suppresses a pre-training tendency. In safety refusal, about 50 neurons, or 0.014 percent of all neurons, control the refusal template; ablating them changes 80 percent of response formats on 520 AdvBench prompts while producing near-zero harmful compliance, 3 of 520 cases, all with disclaimers. Routing circuits appear for pre-training behaviors distributed through attention. For language selection, residual-stream direction injection switches English to Chinese output on 99.1 percent of 580 benchmark prompts in the 3 of 19 tested models that satisfy three observed conditions: bilingual training, FFN-to-skip signal ratio between 0.3 and 1.1, and linear representability. The same intervention fails on the other 16 models and on math, code, and factual circuits, defining the limits of directional steering. The FFN-to-skip signal ratio, computed from the same two forward passes, distinguishes the two structures and predicts the appropriate intervention. Circuit topology varies by architecture, from Qwen's concentrated FFN bottleneck to Gemma's normalization-shielded circuit. In Qwen3.5-2B, ablating 20 neurons eliminates multi-turn sycophantic capitulation, while amplifying 10 related neurons improves factual correction from 52 percent to 88 percent on 200 TruthfulQA prompts. These results show that perturbation probing offers mechanistic insight into RLHF-organized behavior and a practical toolkit for precision template-layer editing.

  • 3 authors
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Apr 29

From Syntax to Semantics: Geometric Stability as the Missing Axis of Perturbation Biology

The capacity to precisely edit genomes has outpaced our ability to predict the consequences. A cell can be genetically perfect and therapeutically useless: edited exactly as intended, yet unstable, drifting toward unintended fates, or selected for properties that compromise safety. This paradox reflects a deeper gap in how we evaluate biological intervention. Current frameworks excel at measuring what was done to a cell but remain blind to what the cell has become. We argue that this blindness stems from treating cells as collections of independent variables rather than as dynamical systems occupying positions on high-dimensional state manifolds. Drawing on Waddington's epigenetic landscape, we propose geometric stability as a missing axis of evaluation: the directional coherence of cellular responses to perturbation. This metric distinguishes interventions that guide cells coherently toward stable states from those that scatter them across the state manifold. Validation across diverse perturbation datasets reveals that geometric stability captures regulatory architecture invisible to conventional metrics, discriminating pleiotropic master regulators from lineage-specific factors without prior biological annotation. As precision medicine increasingly relies on cellular reprogramming, the question shifts from ``did the intervention occur?'' to ``is the resulting state stable?'' Geometric stability provides a framework for answering.

  • 1 authors
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Apr 24

Control of Medical Digital Twins with Artificial Neural Networks

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

  • 3 authors
·
Mar 18, 2024

DiffPhyCon: A Generative Approach to Control Complex Physical Systems

Controlling the evolution of complex physical systems is a fundamental task across science and engineering. Classical techniques suffer from limited applicability or huge computational costs. On the other hand, recent deep learning and reinforcement learning-based approaches often struggle to optimize long-term control sequences under the constraints of system dynamics. In this work, we introduce Diffusion Physical systems Control (DiffPhyCon), a new class of method to address the physical systems control problem. DiffPhyCon excels by simultaneously minimizing both the learned generative energy function and the predefined control objectives across the entire trajectory and control sequence. Thus, it can explore globally and plan near-optimal control sequences. Moreover, we enhance DiffPhyCon with prior reweighting, enabling the discovery of control sequences that significantly deviate from the training distribution. We test our method on three tasks: 1D Burgers' equation, 2D jellyfish movement control, and 2D high-dimensional smoke control, where our generated jellyfish dataset is released as a benchmark for complex physical system control research. Our method outperforms widely applied classical approaches and state-of-the-art deep learning and reinforcement learning methods. Notably, DiffPhyCon unveils an intriguing fast-close-slow-open pattern observed in the jellyfish, aligning with established findings in the field of fluid dynamics. The project website, jellyfish dataset, and code can be found at https://github.com/AI4Science-WestlakeU/diffphycon.

  • 10 authors
·
Oct 28, 2024

JAWS: Enhancing Long-term Rollout of Neural Operators via Spatially-Adaptive Jacobian Regularization

Data-driven surrogate models improve the efficiency of simulating continuous dynamical systems, yet their autoregressive rollouts are often limited by instability and spectral blow-up. While global regularization techniques can enforce contractive dynamics, they uniformly damp high-frequency features, introducing a contraction-dissipation dilemma. Furthermore, long-horizon trajectory optimization methods that explicitly correct drift are bottlenecked by memory constraints. In this work, we propose Jacobian-Adaptive Weighting for Stability (JAWS), a probabilistic regularization strategy designed to mitigate these limitations. By framing operator learning as Maximum A Posteriori (MAP) estimation with spatially heteroscedastic uncertainty, JAWS dynamically modulates the regularization strength based on local physical complexity. This allows the model to enforce contraction in smooth regions to suppress noise, while relaxing constraints near singular features to preserve gradients, effectively realizing a behavior similar to numerical shock-capturing schemes. Experiments demonstrate that this spatially-adaptive prior serves as an effective spectral pre-conditioner, which reduces the base operator's burden of handling high-frequency instabilities. This reduction enables memory-efficient, short-horizon trajectory optimization to match or exceed the long-term accuracy of long-horizon baselines. Evaluated on the 1D viscous Burgers' equation, our hybrid approach improves long-term stability, shock fidelity, and out-of-distribution generalization while reducing training computational costs.

  • 2 authors
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Mar 4

A Comprehensive Perturbative Formalism for Phase Mixing in Perturbed Disks. II. Phase Spirals in an Inhomogeneous Disk Galaxy with a Non-responsive Dark Matter Halo

We develop a linear perturbative formalism to compute the response of an inhomogeneous stellar disk embedded in a non-responsive dark matter halo to perturbations like bars, spiral arms and satellite galaxy encounters. Without self-gravity to reinforce it, the response of a Fourier mode phase mixes away due to an intrinsic spread in the vertical (Omega_z), radial (Omega_r) and azimuthal (Omega_phi) frequencies, giving rise to local phase-space spirals. Collisional diffusion due to scattering of stars by structures like giant molecular clouds causes super-exponential damping of the phase-spiral amplitude. The z-v_z phase-spiral is 1-armed (2-armed) for vertically anti-symmetric (symmetric) bending (breathing) modes. Only transient perturbations with timescales (tau_{P}) comparable to the vertical oscillation period (tau_z sim 1/Omega_z) trigger z-v_z phase-spirals. Each (n,l,m) mode of the response to impulsive (tau_{P}<tau=1/(nOmega_z+lOmega_r+mOmega_phi)) perturbations is power law (sim tau_{P}/tau) suppressed, but that to adiabatic (tau_{P}>tau) perturbations is exponentially weak (sim left[-left(tau_{mathrm{P}/tauright)^alpharight]}) except resonant (tauto infty) modes. Slower (tau_{P}>tau_z) perturbations, e.g., distant encounters with satellite galaxies, induce stronger bending modes. If the Gaia phase-spiral was triggered by a satellite, Sagittarius is the leading contender as it dominates the Solar neighborhood response of the Milky Way disk to satellite encounters. However, survival against collisional damping necessitates that the impact occurred within sim 0.6-0.7 Gyr ago. We discuss how the detailed galactic potential dictates the phase-spiral shape: phase mixing occurs slower and phase-spirals are less wound in the outer disk and in presence of an ambient halo.

  • 3 authors
·
Feb 28, 2023

Adaptive Layerwise Perturbation: Unifying Off-Policy Corrections for LLM RL

Off-policy problems such as policy staleness and training-inference mismatch, has become a major bottleneck for training stability and further exploration for LLM RL. To enhance inference efficiency, the distribution gap between the inference and updated policy grows, leading to heavy-tailed importance ratios. Heavy-tailed ratios arise when the policy is locally sharp, which further inflates sharp gradients and can push updates outside the trust region. To address this, we propose Adaptive Layerwise Perturbation(ALP) by injecting small learnable perturbations into input hidden states of each layer during updates, which is used as the numerator of the importance ratio against the unchanged inference policy in the objective. Intuitively, by adding controlled noise to intermediate representations, ALP prevents the updated policy from deviating too sharply from the inference policy, and enlarges the policy family to cover the inference policy family with mismatch noises. Hence, the flattened distribution can naturally tighten the updated and inference policy gap and reduce the tail of importance ratios, thus maintaining training stability. This is further validated empirically. Experiments on single-turn math and multi-turn tool-integrated reasoning tasks show that ALP not only improves final performance, but also avoid blow up of importance ratio tail and KL spikes during iterative training, along with boosted exploration. Ablations show that representation-level perturbations across all layers are most effective, substantially outperforming partial-layer and logits-only variants.

  • 9 authors
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Mar 19 2

Multiobjective Optimization of Non-Smooth PDE-Constrained Problems

Multiobjective optimization plays an increasingly important role in modern applications, where several criteria are often of equal importance. The task in multiobjective optimization and multiobjective optimal control is therefore to compute the set of optimal compromises (the Pareto set) between the conflicting objectives. The advances in algorithms and the increasing interest in Pareto-optimal solutions have led to a wide range of new applications related to optimal and feedback control - potentially with non-smoothness both on the level of the objectives or in the system dynamics. This results in new challenges such as dealing with expensive models (e.g., governed by partial differential equations (PDEs)) and developing dedicated algorithms handling the non-smoothness. Since in contrast to single-objective optimization, the Pareto set generally consists of an infinite number of solutions, the computational effort can quickly become challenging, which is particularly problematic when the objectives are costly to evaluate or when a solution has to be presented very quickly. This article gives an overview of recent developments in the field of multiobjective optimization of non-smooth PDE-constrained problems. In particular we report on the advances achieved within Project 2 "Multiobjective Optimization of Non-Smooth PDE-Constrained Problems - Switches, State Constraints and Model Order Reduction" of the DFG Priority Programm 1962 "Non-smooth and Complementarity-based Distributed Parameter Systems: Simulation and Hierarchical Optimization".

  • 7 authors
·
Aug 2, 2023