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Aug 14

Out of Distribution, Out of Luck: How Well Can LLMs Trained on Vulnerability Datasets Detect Top 25 CWE Weaknesses?

Automated vulnerability detection research has made substantial progress, yet its real-world impact remains limited. Prior work found that current vulnerability datasets suffer from issues including label inaccuracy rates of 20%-71%, extensive duplication, and poor coverage of critical Common Weakness Enumeration (CWE). These issues create a significant generalization gap where models achieve misleading In-Distribution (ID) accuracies (testing on splits from the same dataset) by exploiting spurious correlations rather than learning true vulnerability patterns. To address these limitations, we present a three-part solution. First, we introduce BenchVul, which is a manually curated and balanced test dataset covering the MITRE Top 25 Most Dangerous CWEs, to enable fair model evaluation. Second, we construct a high-quality training dataset, TitanVul, comprising 38,548 functions by aggregating seven public sources and applying deduplication and validation using a novel multi-agent LLM pipeline. Third, we propose a Realistic Vulnerability Generation (RVG) pipeline, which synthesizes context-aware vulnerability examples for underrepresented but critical CWE types through simulated development workflows. Our evaluation reveals that In-Distribution (ID) performance does not reliably predict Out-of-Distribution (OOD) performance on BenchVul. For example, a model trained on BigVul achieves the highest 0.703 ID accuracy but fails on BenchVul's real-world samples (0.493 OOD accuracy). Conversely, a model trained on our TitanVul achieves the highest OOD performance on both the real-world (0.881) and synthesized (0.785) portions of BenchVul, improving upon the next-best performing dataset by 5.3% and 11.8% respectively, despite a modest ID score (0.590). Augmenting TitanVul with our RVG further boosts this leading OOD performance, improving accuracy on real-world data by 5.8% (to 0.932).

  • 19 authors
·
Jul 29, 2025

Thinking with Nothinking Calibration: A New In-Context Learning Paradigm in Reasoning Large Language Models

Reasoning large language models (RLLMs) have recently demonstrated remarkable capabilities through structured and multi-step reasoning. While prior research has primarily focused on improving their training and inference strategies, their potential for in-context learning (ICL) remains largely underexplored. To fill this gap, we propose Thinking with Nothinking Calibration (JointThinking), a new ICL paradigm that leverages the structured difference between two reasoning modes, i.e., Thinking and Nothinking, to improve reasoning accuracy. Specifically, our method prompts the model to generate two answers in parallel: one in Thinking mode and the other in Nothinking mode. A second round of Thinking is triggered only when the two initial responses are inconsistent, using a single prompt that incorporates the original question and both candidate answers. Since such disagreement occurs infrequently (e.g., only 6\% in GSM8K), our method performs just one round of reasoning in most cases, resulting in minimal latency overhead. Extensive experiments across multiple reasoning benchmarks demonstrate that JointThinking significantly outperforms few-shot chain-of-thought (CoT) and majority voting with improved answer robustness. Moreover, It achieves comparable in-distribution performance to training-based SOTA method, while substantially outperforming on out-of-distribution tasks. We further conduct a systematic analysis of the calibration mechanism, showing that leveraging different reasoning modes consistently lowers the error rate and highlights the value of structural thinking diversity. Additionally, we observe that the performance gap between actual and ideal reasoning narrows as model size increases in the second round of thinking, indicating the strong scalability of our approach. Finally, we discuss current limitations and outline promising directions for future ICL research in RLLMs.

  • 5 authors
·
Aug 5, 2025

From Atomic to Composite: Reinforcement Learning Enables Generalization in Complementary Reasoning

The mechanism by which RL contributes to reasoning capabilities-whether it incentivizes the synthesis of new skills or merely amplifies existing behaviors-remains a subject of intense debate. In this work, we investigate this question through the lens of Complementary Reasoning, a complex task that requires integrating internal parametric knowledge with external contextual information. Using a controlled synthetic dataset of human biographies, we strictly decouple this ability into two atomic skills: Parametric Reasoning (relying on internal knowledge) and Contextual Reasoning (depending on external information). To rigorously assess capability boundaries, we evaluate generalization across three distinct levels of difficulty: I.I.D., Composition, and Zero-shot settings. We find that while SFT is sufficient for in-distribution performance, it struggles with O.O.D. generalization, particularly in Zero-shot settings where relational combinations are novel. Crucially, we identify the SFT Generalization Paradox: Models supervised solely on the composite task achieve near-perfect in-distribution accuracy but collapse on out-of-distribution generalization, indicating their reliance on rote memorization of path shortcuts. In contrast, we find that RL acts as a reasoning synthesizer rather than a probability amplifier. However, we uncover a strict atomic prerequisite: RL can only synthesize these complex strategies if the base model has first mastered the independent atomic skills (Parametric and Contextual) via SFT. These findings challenge the view of RL as a mere amplifier, suggesting that given sufficient atomic foundations, RL can actively synthesize complex reasoning strategies from learned primitives without explicit supervision on such complex strategies. This indicates that decoupled atomic training followed by RL offers a scalable path to generalization for complex reasoning tasks.

  • 8 authors
·
Dec 1, 2025

Accuracy on the Curve: On the Nonlinear Correlation of ML Performance Between Data Subpopulations

Understanding the performance of machine learning (ML) models across diverse data distributions is critically important for reliable applications. Despite recent empirical studies positing a near-perfect linear correlation between in-distribution (ID) and out-of-distribution (OOD) accuracies, we empirically demonstrate that this correlation is more nuanced under subpopulation shifts. Through rigorous experimentation and analysis across a variety of datasets, models, and training epochs, we demonstrate that OOD performance often has a nonlinear correlation with ID performance in subpopulation shifts. Our findings, which contrast previous studies that have posited a linear correlation in model performance during distribution shifts, reveal a "moon shape" correlation (parabolic uptrend curve) between the test performance on the majority subpopulation and the minority subpopulation. This non-trivial nonlinear correlation holds across model architectures, hyperparameters, training durations, and the imbalance between subpopulations. Furthermore, we found that the nonlinearity of this "moon shape" is causally influenced by the degree of spurious correlations in the training data. Our controlled experiments show that stronger spurious correlation in the training data creates more nonlinear performance correlation. We provide complementary experimental and theoretical analyses for this phenomenon, and discuss its implications for ML reliability and fairness. Our work highlights the importance of understanding the nonlinear effects of model improvement on performance in different subpopulations, and has the potential to inform the development of more equitable and responsible machine learning models.

  • 5 authors
·
May 4, 2023

Robust-WAM: Bridging Generative Pretraining and Semantic Foresight in World-Action Models

Mainstream World-Action Models (WAMs) adapt pretrained video generation models (VGMs) for robot control, transferring their learned dynamics prior for action prediction. These VGMs are typically trained in a variational autoencoder (VAE) latent space. However, the VAE latent space is optimized for pixel reconstruction, which rewards fine appearance detail and leaves the action prediction fragile under visual shifts. Recent works build WAMs in semantic latent space, which are more robust to appearance shifts. However, these models cannot leverage the large-scale VGM pretraining that exists only in VAE space. To overcome this dilemma, we propose Robust-WAM, a general post-training method for video-generation-based WAMs that preserves the VAE-based generative path and adds a lightweight semantic foresight alignment objective on the action stream. This retains the large-scale VGM pretraining while grounding actions in appearance-invariant dynamics that stay reliable under illumination shifts and other visual out-of-distribution conditions. Specifically, we employ learnable query tokens to bring future-scene semantics into the action stream by aligning their output hidden states with the semantic foresight of future ground-truth frames. To establish the temporal correspondence between each query and the future step it describes, we give it the positional encoding of the matching action tokens. Experiments on out-of-distribution generalization simulation benchmarks and a real-robot setup show that our Robust-WAM consistently improves the success rates of multiple WAM baselines without sacrificing in-distribution performance.

  • 15 authors
·
Aug 6

Frequency Bias and OOD Generalization in Neural Operators under a Variable-Coefficient Wave Equation

Neural operators learn to map initial conditions to the terminal solution of partial differential equations (PDEs), providing a surrogate for the full operator mapping. This enables rapid prediction across different input configurations. While recent neural operator architectures have demonstrated strong performance on diverse PDE tasks, their behavior under structured distribution shifts remains insufficiently understood. To investigate this, we study operator learning in a wave propagation setting governed by a one-dimensional variable-coefficient wave equation, using two representative architectures, the Fourier Neural Operator (FNO) and the Deep Operator Network (DeepONet). To examine their generalization under distribution shifts, we consider structured out-of-distribution (OOD) settings that independently vary input frequency and coefficient smoothness. The results show that under smoothness shifts, both models maintain stable performance, with FNO achieving lower error. In contrast, under frequency shifts, FNO exhibits a sharp increase in error under unseen high-frequency inputs, whereas DeepONet shows milder degradation despite higher overall error. Our analysis reveals that these differences arise from how each architecture represents and responds to variations in frequency structure. Together, these findings highlight a fundamental gap between strong in-distribution performance and generalization under distribution shifts in operator learning, underscoring the role of architectural representation bias in developing more reliable neural operators for physics-based PDE simulations beyond the training distribution.

  • 2 authors
·
May 12 1

Routing Ceilings Are Domain-Independent: Structural Prior Injection in Code Security Vulnerability Detection

Large language models (LLMs) exhibit a well-documented gap between latent capability and consistent activation: the router hypothesis posits that models possess the knowledge to solve a task but lack reliable internal routing to activate it. Prior work in formal mathematical reasoning (SAIR, Cázares 2026) reports that structural priors (cheatsheets) raise in-distribution performance dramatically, yet collapse below the zero-shot baseline out-of-distribution (OOD) -- and that iterative recalibration amplifies rather than corrects the collapse. We test whether this phenomenon is cross-domain by reproducing the SAIR design in source-code security vulnerability detection, evaluating three LLMs (GPT-OSS-120B, Llama-3.3-70B, Gemma-4-31B) across three vulnerability categories (CWE-798, CWE-284, and the non-CWE N+1 anti-pattern) spanning syntactic, contextual, and semantic complexity, then transferring cheatsheet-augmented prompts to real-world CVE data from VUDENC (CWE-89, CWE-22). Our findings replicate and extend SAIR: (F1) structural priors lift semantic-vulnerability recall from 20.0% to 100.0% across all models; (F2) zero-shot performance degrades along a semantic complexity gradient; (F3) the same cheatsheets that saturate synthetic performance amplify distribution-shift collapse on real CVE data (CWE-89: 100% synthetic F1 to 48.9% on VUDENC, -51.1pp); (F5) iterative recalibration produces a v2 cheatsheet that performs worse than v1 on real data, mirroring SAIR's AN45c-vs-AN38 finding. These results provide evidence that the cross-distribution trade-off surface documented in SAIR generalises to code security, and that the router hypothesis is cross-domain. We argue the structural nature of the collapse motivates distribution-aware training over prompt calibration. Code and evaluation scripts: https://github.com/bytepro-ai/bitcoder-v2-research

  • 1 authors
·
Jul 15

OSCBench: Benchmarking Object State Change in Text-to-Video Generation

Text-to-video (T2V) generation models have made rapid progress in producing visually high-quality and temporally coherent videos. However, existing benchmarks primarily focus on perceptual quality, text-video alignment, or physical plausibility, leaving a critical aspect of action understanding largely unexplored: object state change (OSC) explicitly specified in the text prompt. OSC refers to the transformation of an object's state induced by an action, such as peeling a potato or slicing a lemon. In this paper, we introduce OSCBench, a benchmark specifically designed to assess OSC performance in T2V models. OSCBench is constructed from instructional cooking data and systematically organizes action-object interactions into regular, novel, and compositional scenarios to probe both in-distribution performance and generalization. We evaluate six representative open-source and proprietary T2V models using both human user study and multimodal large language model (MLLM)-based automatic evaluation. Our results show that, despite strong performance on semantic and scene alignment, current T2V models consistently struggle with accurate and temporally consistent object state changes, especially in novel and compositional settings. These findings position OSC as a key bottleneck in text-to-video generation and establish OSCBench as a diagnostic benchmark for advancing state-aware video generation models.

  • 7 authors
·
Mar 12

Structural Representations for Cross-Attack Generalization in AI Agent Threat Detection

Autonomous AI agents executing multi-step tool sequences face semantic attacks that manifest in behavioral traces rather than isolated prompts. A critical challenge is cross-attack generalization: can detectors trained on known attack families recognize novel, unseen attack types? We discover that standard conversational tokenization -- capturing linguistic patterns from agent interactions -- fails catastrophically on structural attacks like tool hijacking (AUC 0.39) and data exfiltration (AUC 0.46), while succeeding on linguistic attacks like social engineering (AUC 0.78). We introduce structural tokenization, encoding execution-flow patterns (tool calls, arguments, observations) rather than conversational content. This simple representational change dramatically improves cross-attack generalization: +46 AUC points on tool hijacking, +39 points on data exfiltration, and +71 points on unknown attacks, while simultaneously improving in-distribution performance (+6 points). For attacks requiring linguistic features, we propose gated multi-view fusion that adaptively combines both representations, achieving AUC 0.89 on social engineering without sacrificing structural attack detection. Our findings reveal that AI agent security is fundamentally a structural problem: attack semantics reside in execution patterns, not surface language. While our rule-based tokenizer serves as a baseline, the structural abstraction principle generalizes even with simple implementation.

  • 1 authors
·
Jan 4

OODRobustBench: a Benchmark and Large-Scale Analysis of Adversarial Robustness under Distribution Shift

Existing works have made great progress in improving adversarial robustness, but typically test their method only on data from the same distribution as the training data, i.e. in-distribution (ID) testing. As a result, it is unclear how such robustness generalizes under input distribution shifts, i.e. out-of-distribution (OOD) testing. This omission is concerning as such distribution shifts are unavoidable when methods are deployed in the wild. To address this issue we propose a benchmark named OODRobustBench to comprehensively assess OOD adversarial robustness using 23 dataset-wise shifts (i.e. naturalistic shifts in input distribution) and 6 threat-wise shifts (i.e., unforeseen adversarial threat models). OODRobustBench is used to assess 706 robust models using 60.7K adversarial evaluations. This large-scale analysis shows that: 1) adversarial robustness suffers from a severe OOD generalization issue; 2) ID robustness correlates strongly with OOD robustness in a positive linear way. The latter enables the prediction of OOD robustness from ID robustness. We then predict and verify that existing methods are unlikely to achieve high OOD robustness. Novel methods are therefore required to achieve OOD robustness beyond our prediction. To facilitate the development of these methods, we investigate a wide range of techniques and identify several promising directions. Code and models are available at: https://github.com/OODRobustBench/OODRobustBench.

  • 4 authors
·
Jun 3, 2024

Improving Black-box Robustness with In-Context Rewriting

Machine learning models often excel on in-distribution (ID) data but struggle with unseen out-of-distribution (OOD) inputs. Most techniques for improving OOD robustness are not applicable to settings where the model is effectively a black box, such as when the weights are frozen, retraining is costly, or the model is leveraged via an API. Test-time augmentation (TTA) is a simple post-hoc technique for improving robustness that sidesteps black-box constraints by aggregating predictions across multiple augmentations of the test input. TTA has seen limited use in NLP due to the challenge of generating effective natural language augmentations. In this work, we propose LLM-TTA, which uses LLM-generated augmentations as TTA's augmentation function. LLM-TTA outperforms conventional augmentation functions across sentiment, toxicity, and news classification tasks for BERT and T5 models, with BERT's OOD robustness improving by an average of 4.30 percentage points without regressing average ID performance. We explore selectively augmenting inputs based on prediction entropy to reduce the rate of expensive LLM augmentations, allowing us to maintain performance gains while reducing the average number of generated augmentations by 57.76%. LLM-TTA is agnostic to the task model architecture, does not require OOD labels, and is effective across low and high-resource settings. We share our data, models, and code for reproducibility.

  • 8 authors
·
Feb 13, 2024

BenchCAD: A Comprehensive, Industry-Standard Benchmark for Programmatic CAD

Industrial Computer-Aided Design (CAD) code generation requires models to produce executable parametric programs from visual or textual inputs. Beyond recognizing the outer shape of a part, this task involves understanding its 3D structure, inferring engineering parameters, and choosing CAD operations that reflect how the part would be designed and manufactured. Despite the promise of Multimodal large language models (MLLMs) for this task, they are rarely evaluated on whether these capabilities jointly hold in realistic industrial CAD settings. We present BenchCAD, a unified benchmark for industrial CAD reasoning. BenchCAD contains 17,900 execution-verified CadQuery programs across 106 industrial part families, including bevel gears, compression springs, twist drills, and other reusable engineering designs. It evaluates models through visual question answering, code question answering, image-to-code generation, and instruction-guided code editing, enabling fine-grained analysis across perception, parametric abstraction, and executable program synthesis. Across 10+ frontier models, BenchCAD shows that current systems often recover coarse outer geometry but fail to produce faithful parametric CAD programs. Common failures include missing fine 3D structure, misinterpreting industrial design parameters, and replacing essential operations such as sweeps, lofts, and twist-extrudes with simpler sketch-and-extrude patterns. Fine-tuning and reinforcement learning improve in-distribution performance, but generalization to unseen part families remains limited. These results position BenchCAD as a benchmark for measuring and improving the industrial readiness of multimodal CAD automation.

  • 7 authors
·
May 11

Is Less More? Exploring Token Condensation as Training-free Test-time Adaptation

Contrastive Language-Image Pretraining (CLIP) excels at learning generalizable image representations but often falls short in zero-shot inference on certain downstream datasets. Test-time adaptation (TTA) mitigates this issue by adjusting components like normalization layers or context prompts, yet it typically requires large batch sizes and extensive augmentations, leading to high computational costs. This raises a key question: Can VLMs' performance drop in specific test cases be mitigated through efficient, training-free approaches? To explore the solution, we investigate token condensation (TC) techniques, originally designed to enhance vision transformer efficiency by refining token usage during inference. We observe that informative tokens improve visual-text alignment in VLMs like CLIP on unseen datasets. However, existing TC methods often fail to maintain in-distribution performance when reducing tokens, prompting us to ask: How can we transform TC into an effective ``free-lunch'' adaptation strategy for VLMs? To address this, we propose Token Condensation as Adaptation (TCA), a training-free adaptation method that takes a step beyond standard TC. Rather than passively discarding tokens, TCA condenses token representation by introducing reservoir-based domain anchor tokens for information-preserving token reduction and logits correction. TCA achieves up to a 21.4% performance improvement over the strongest baseline on cross-dataset benchmark and the CIFAR-100-Corrupted dataset while reducing GFLOPs by 12.2% to 48.9%, with minimal hyperparameter dependency on both CLIP and SigLIP series.

  • 5 authors
·
Oct 16, 2024 1

Debiasing Multimodal Models via Causal Information Minimization

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

  • 3 authors
·
Nov 28, 2023

Imagination Augmented Generation: Learning to Imagine Richer Context for Question Answering over Large Language Models

Retrieval-Augmented-Generation and Gener-ation-Augmented-Generation have been proposed to enhance the knowledge required for question answering over Large Language Models (LLMs). However, the former depends on external resources, and both require incorporating the explicit documents into the context, which results in longer contexts that lead to more resource consumption. Recent works indicate that LLMs have modeled rich knowledge, albeit not effectively triggered or activated. Inspired by this, we propose a novel knowledge-augmented framework, Imagination-Augmented-Generation (IAG), which simulates the human capacity to compensate for knowledge deficits while answering questions solely through imagination, without relying on external resources. Guided by IAG, we propose an imagine richer context method for question answering (IMcQA), which obtains richer context through the following two modules: explicit imagination by generating a short dummy document with long context compress and implicit imagination with HyperNetwork for generating adapter weights. Experimental results on three datasets demonstrate that IMcQA exhibits significant advantages in both open-domain and closed-book settings, as well as in both in-distribution performance and out-of-distribution generalizations. Our code will be available at https://github.com/Xnhyacinth/IAG.

  • 7 authors
·
Mar 22, 2024

Debunk the Myth of SFT Generalization

A prevailing view holds that supervised fine-tuning (SFT) memorizes training data and fails to generalize, whereas reinforcement learning (RL) attains broader robustness. We revisit this claim through a systematic evaluation on two decision-making benchmarks, Sokoban and General Points, and arrive at a different conclusion. We show that much of SFT's perceived failure stems from frozen-prompt artifacts: when trained on fixed instruction templates, SFT models cling to training semantics rather than adapting to new ones. Introducing prompt diversity during training breaks this shortcut and yields strong generalization to unseen instruction variants without harming in-distribution performance. Beyond instruction shifts, we ask whether SFT can generalize to strictly harder tasks. Here, chain-of-thought (CoT) supervision provides an algorithmic scaffold that markedly improves transfer to more difficult regimes, such as larger Sokoban grids with additional boxes and arithmetic with out-of-distribution values or five-card compositions that increase combinatorial complexity. Finally, combining prompt diversity with CoT achieves the best of both worlds: robust generalization across both instruction-variant and difficulty-variant settings, matching or surpassing RL baselines on our benchmarks while retaining SFT's simplicity and stability. These findings challenge the narrative that SFT is inherently inferior to RL and support a data-centric perspective: with appropriately curated demonstrations, vanilla SFT can generalize as strongly as RL. Code reproducing the results in the paper can be found at: https://github.com/XiaofengLin7/debunking-sft-generalization.

  • 4 authors
·
Sep 30, 2025

Adversarial Training for High-Stakes Reliability

In the future, powerful AI systems may be deployed in high-stakes settings, where a single failure could be catastrophic. One technique for improving AI safety in high-stakes settings is adversarial training, which uses an adversary to generate examples to train on in order to achieve better worst-case performance. In this work, we used a safe language generation task (``avoid injuries'') as a testbed for achieving high reliability through adversarial training. We created a series of adversarial training techniques -- including a tool that assists human adversaries -- to find and eliminate failures in a classifier that filters text completions suggested by a generator. In our task, we determined that we can set very conservative classifier thresholds without significantly impacting the quality of the filtered outputs. We found that adversarial training increased robustness to the adversarial attacks that we trained on -- doubling the time for our contractors to find adversarial examples both with our tool (from 13 to 26 minutes) and without (from 20 to 44 minutes) -- without affecting in-distribution performance. We hope to see further work in the high-stakes reliability setting, including more powerful tools for enhancing human adversaries and better ways to measure high levels of reliability, until we can confidently rule out the possibility of catastrophic deployment-time failures of powerful models.

  • 12 authors
·
May 3, 2022

A Multicenter Benchmark of Multiple Instance Learning Models for Lymphoma Subtyping from HE-stained Whole Slide Images

Timely and accurate lymphoma diagnosis is essential for guiding cancer treatment. Standard diagnostic practice combines hematoxylin and eosin (HE)-stained whole slide images with immunohistochemistry, flow cytometry, and molecular genetic tests to determine lymphoma subtypes, a process requiring costly equipment, skilled personnel, and causing treatment delays. Deep learning methods could assist pathologists by extracting diagnostic information from routinely available HE-stained slides, yet comprehensive benchmarks for lymphoma subtyping on multicenter data are lacking. In this work, we present the first multicenter lymphoma benchmarking dataset covering four common lymphoma subtypes and healthy control tissue. We systematically evaluate five publicly available pathology foundation models (H-optimus-1, H0-mini, Virchow2, UNI2, Titan) combined with attention-based (AB-MIL) and transformer-based (TransMIL) multiple instance learning aggregators across three magnifications (10x, 20x, 40x). On in-distribution test sets, models achieve multiclass balanced accuracies exceeding 80% across all magnifications, with all foundation models performing similarly and both aggregation methods showing comparable results. The magnification study reveals that 40x resolution is sufficient, with no performance gains from higher resolutions or cross-magnification aggregation. However, on out-of-distribution test sets, performance drops substantially to around 60%, highlighting significant generalization challenges. To advance the field, larger multicenter studies covering additional rare lymphoma subtypes are needed. We provide an automated benchmarking pipeline to facilitate such future research.

  • 13 authors
·
Dec 16, 2025

Tracing the Representation Geometry of Language Models from Pretraining to Post-training

Standard training metrics like loss fail to explain the emergence of complex capabilities in large language models. We take a spectral approach to investigate the geometry of learned representations across pretraining and post-training, measuring effective rank (RankMe) and eigenspectrum decay (α-ReQ). With OLMo (1B-7B) and Pythia (160M-12B) models, we uncover a consistent non-monotonic sequence of three geometric phases during autoregressive pretraining. The initial "warmup" phase exhibits rapid representational collapse. This is followed by an "entropy-seeking" phase, where the manifold's dimensionality expands substantially, coinciding with peak n-gram memorization. Subsequently, a "compression-seeking" phase imposes anisotropic consolidation, selectively preserving variance along dominant eigendirections while contracting others, a transition marked with significant improvement in downstream task performance. We show these phases can emerge from a fundamental interplay of cross-entropy optimization under skewed token frequencies and representational bottlenecks (d ll |V|). Post-training further transforms geometry: SFT and DPO drive "entropy-seeking" dynamics to integrate specific instructional or preferential data, improving in-distribution performance while degrading out-of-distribution robustness. Conversely, RLVR induces "compression-seeking", enhancing reward alignment but reducing generation diversity.

  • 7 authors
·
Sep 26, 2025

Pose6DAug: Physically Plausible Multi-view Object Swapping for Robot Data Augmentation

Vision-language-action (VLA) policies have shown strong potential for general-purpose manipulation, yet they often fail on novel, out-of-distribution objects whose appearance or geometry deviates from the training distribution. The standard remedy is to collect multi-view teleoperation data for every failure case, but this scales poorly in both cost and time. We introduce Pose6DAug, a failure-driven data augmentation framework that turns a policy's own successful episodes into targeted demonstrations for its failure modes, without any new data collection. Our key insight is that each successful episode already encodes a physically valid action trajectory together with calibrated multi-view observations. By swapping only the manipulated object while preserving this trajectory, we obtain new and physically grounded demonstrations. However, naive 2D video editing breaks multi-view consistency and physical plausibility, particularly under heavy occlusion and egocentric viewpoints. Our method instead operates directly in 3D, anchoring the target object with an explicit mesh driven by a temporally coherent 6D pose trajectory, ensuring geometrically consistent renderings across all camera views. Fine-tuning a VLA on data augmented by our method improves success rates by 16.5% relative to the state-of-the-art baseline on novel objects, while preserving in-distribution performance. These results show that multi-view and physically consistent augmentation is a practical path to scalable VLA generalization.

  • 5 authors
·
Jun 17

Show, Don't TELL: Explainable AI-Generated Text Detection

Research on AI-generated text detection has presented a number of approaches to discern human from AI prose, some of which achieving high in-distribution performance. However, real-world applicability has stalled because their outputs are misaligned with the needs of users, such as professors, who are presented with a numeric score that has no attached explanation. We tackle this issue with a novel architecture, TELL, that bakes explainability from the ground-up. While our system still offers a numerical score like other detectors for comparability, TELL takes a fundamentally different approach where we aim to show the user the "tells" by which the model believes a text is AI or human-written, to empower the user to decide who wrote a text using their own judgment and understanding of the context of the writing and its alleged author. We train TELL on a custom SFT dataset of domain-specific authorship annotations, and further refine the system using GRPO with curriculum learning to improve performance. We achieve competitive performance with state-of-the-art detectors (AUROC 0.927) while natively providing annotations that explain the basis for the detector's decision. We further evaluate the quality of our explanations using a dataset of human annotations and report a high (mean 72.3%) win-rate on annotation concreteness, falsifiability, coherence, plausibility and grounding, allowing users to critically think and decide for themselves. Our work thus reframes the problem of AI-generated text detection in a human-centric perspective and paves the way for a new family of detectors that focus on native explainability.

  • 2 authors
·
May 26 1

Towards Neural Scaling Laws for Time Series Foundation Models

Scaling laws offer valuable insights into the design of time series foundation models (TSFMs). However, previous research has largely focused on the scaling laws of TSFMs for in-distribution (ID) data, leaving their out-of-distribution (OOD) scaling behavior and the influence of model architectures less explored. In this work, we examine two common TSFM architectures, encoder-only and decoder-only Transformers, and investigate their scaling behavior on both ID and OOD data. These models are trained and evaluated across varying parameter counts, compute budgets, and dataset sizes. Our experiments reveal that the log-likelihood loss of TSFMs exhibits similar scaling behavior in both OOD and ID settings. We further compare the scaling properties across different architectures, incorporating two state-of-the-art TSFMs as case studies, showing that model architecture plays a significant role in scaling. The encoder-only Transformers demonstrate better scalability than the decoder-only Transformers, while the architectural enhancements in the two advanced TSFMs primarily improve ID performance but reduce OOD scalability. While scaling up TSFMs is expected to drive performance breakthroughs, the lack of a comprehensive understanding of TSFM scaling laws has hindered the development of a robust framework to guide model scaling. We fill this gap in this work by synthesizing our findings and providing practical guidelines for designing and scaling larger TSFMs with enhanced model capabilities.

  • 6 authors
·
Oct 16, 2024

How to Handle Different Types of Out-of-Distribution Scenarios in Computational Argumentation? A Comprehensive and Fine-Grained Field Study

The advent of pre-trained Language Models (LMs) has markedly advanced natural language processing, but their efficacy in out-of-distribution (OOD) scenarios remains a significant challenge. Computational argumentation (CA), modeling human argumentation processes, is a field notably impacted by these challenges because complex annotation schemes and high annotation costs naturally lead to resources barely covering the multiplicity of available text sources and topics. Due to this data scarcity, generalization to data from uncovered covariant distributions is a common challenge for CA tasks like stance detection or argument classification. This work systematically assesses LMs' capabilities for such OOD scenarios. While previous work targets specific OOD types like topic shifts or OOD uniformly, we address three prevalent OOD scenarios in CA: topic shift, domain shift, and language shift. Our findings challenge the previously asserted general superiority of in-context learning (ICL) for OOD. We find that the efficacy of such learning paradigms varies with the type of OOD. Specifically, while ICL excels for domain shifts, prompt-based fine-tuning surpasses for topic shifts. To sum up, we navigate the heterogeneity of OOD scenarios in CA and empirically underscore the potential of base-sized LMs in overcoming these challenges.

  • 3 authors
·
Sep 15, 2023

GenDeg: Diffusion-Based Degradation Synthesis for Generalizable All-in-One Image Restoration

Deep learning-based models for All-In-One Image Restoration (AIOR) have achieved significant advancements in recent years. However, their practical applicability is limited by poor generalization to samples outside the training distribution. This limitation arises primarily from insufficient diversity in degradation variations and scenes within existing datasets, resulting in inadequate representations of real-world scenarios. Additionally, capturing large-scale real-world paired data for degradations such as haze, low-light, and raindrops is often cumbersome and sometimes infeasible. In this paper, we leverage the generative capabilities of latent diffusion models to synthesize high-quality degraded images from their clean counterparts. Specifically, we introduce GenDeg, a degradation and intensity-aware conditional diffusion model capable of producing diverse degradation patterns on clean images. Using GenDeg, we synthesize over 550k samples across six degradation types: haze, rain, snow, motion blur, low-light, and raindrops. These generated samples are integrated with existing datasets to form the GenDS dataset, comprising over 750k samples. Our experiments reveal that image restoration models trained on the GenDS dataset exhibit significant improvements in out-of-distribution performance compared to those trained solely on existing datasets. Furthermore, we provide comprehensive analyses on the implications of diffusion model-based synthetic degradations for AIOR. The code will be made publicly available.

  • 4 authors
·
Nov 26, 2024

Representational Homomorphism Predicts and Improves Compositional Generalization In Transformer Language Model

Compositional generalization-the ability to interpret novel combinations of familiar components-remains a persistent challenge for neural networks. Behavioral evaluations reveal when models fail but offer limited insight into why failures arise at the representational level. We introduce Homomorphism Error (HE), a structural metric that quantifies deviations from approximate homomorphisms between the expression algebra and a model's hidden-state space. We instantiate HE for two compositional operators in SCAN-style tasks: modifier HE for unary composition and sequence HE for binary composition, measured by learning representation-level operators that predict composed representations from their parts. Across controlled experiments with small decoder-only Transformers, HE predicts out-of-distribution (OOD) compositional generalization under noise injection, achieving R^2 = 0.73 correlation between modifier HE and OOD accuracy. Ablations show that model depth has minimal effect on either HE or OOD accuracy, training data coverage exhibits threshold effects (insufficient coverage sharply increases HE and degrades OOD performance), and randomly inserted noise tokens systematically increase HE. Finally, we test if HE-regularized training improves OOD accuracy. Experiment shows that explicitly enforcing low modifier HE during training significantly reduces modifier HE (p = 1.1x10-4) and sequence HE (p = 0.001) and yields a statistically significant improvement in OOD accuracy (p = 0.023). Together, these results indicate the potential of HE to be both a diagnostic and an actionable training signal for improving compositional generalization. Code to reproduce our experiments is open-sourced.

  • 2 authors
·
Jan 26

Not all tokens are created equal: Perplexity Attention Weighted Networks for AI generated text detection

The rapid advancement in large language models (LLMs) has significantly enhanced their ability to generate coherent and contextually relevant text, raising concerns about the misuse of AI-generated content and making it critical to detect it. However, the task remains challenging, particularly in unseen domains or with unfamiliar LLMs. Leveraging LLM next-token distribution outputs offers a theoretically appealing approach for detection, as they encapsulate insights from the models' extensive pre-training on diverse corpora. Despite its promise, zero-shot methods that attempt to operationalize these outputs have met with limited success. We hypothesize that one of the problems is that they use the mean to aggregate next-token distribution metrics across tokens, when some tokens are naturally easier or harder to predict and should be weighted differently. Based on this idea, we propose the Perplexity Attention Weighted Network (PAWN), which uses the last hidden states of the LLM and positions to weight the sum of a series of features based on metrics from the next-token distribution across the sequence length. Although not zero-shot, our method allows us to cache the last hidden states and next-token distribution metrics on disk, greatly reducing the training resource requirements. PAWN shows competitive and even better performance in-distribution than the strongest baselines (fine-tuned LMs) with a fraction of their trainable parameters. Our model also generalizes better to unseen domains and source models, with smaller variability in the decision boundary across distribution shifts. It is also more robust to adversarial attacks, and if the backbone has multilingual capabilities, it presents decent generalization to languages not seen during supervised training, with LLaMA3-1B reaching a mean macro-averaged F1 score of 81.46% in cross-validation with nine languages.

  • 4 authors
·
Jan 7, 2025

The Effective Horizon Explains Deep RL Performance in Stochastic Environments

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance. Our code and data are available at https://github.com/cassidylaidlaw/effective-horizon.

  • 4 authors
·
Dec 13, 2023

Changing the Training Data Distribution to Reduce Simplicity Bias Improves In-distribution Generalization

Can we modify the training data distribution to encourage the underlying optimization method toward finding solutions with superior generalization performance on in-distribution data? In this work, we approach this question for the first time by comparing the inductive bias of gradient descent (GD) with that of sharpness-aware minimization (SAM). By studying a two-layer CNN, we rigorously prove that SAM learns different features more uniformly, particularly in early epochs. That is, SAM is less susceptible to simplicity bias compared to GD. We also show that examples containing features that are learned early are separable from the rest based on the model's output. Based on this observation, we propose a method that (i) clusters examples based on the network output early in training, (ii) identifies a cluster of examples with similar network output, and (iii) upsamples the rest of examples only once to alleviate the simplicity bias. We show empirically that USEFUL effectively improves the generalization performance on the original data distribution when training with various gradient methods, including (S)GD and SAM. Notably, we demonstrate that our method can be combined with SAM variants and existing data augmentation strategies to achieve, to the best of our knowledge, state-of-the-art performance for training ResNet18 on CIFAR10, STL10, CINIC10, Tiny-ImageNet; ResNet34 on CIFAR100; and VGG19 and DenseNet121 on CIFAR10.

  • 4 authors
·
Apr 26, 2024

Self-evolving LLM agents with in-distribution Optimization

Large Language Models (LLMs) have recently emerged as powerful controllers for interactive agents in complex environments, yet training them to perform reliable long-horizon decision making remains a fundamental challenge. A key difficulty lies in credit assignment: agents often receive delayed rewards only at the end of episodes. In this paper, we propose Q-Evolve, a self-evolving framework for LLM agents that unifies automatic process-reward labeling and policy learning within a principled in-distribution reinforcement learning paradigm. In each evolving iteration, our method learns an in-distribution critic from a hybrid off-policy dataset that combines expert demonstrations with agent-generated trajectories, stabilizing Bellman backups in sparse-reward settings via a weighted Implicit Q-Learning objective. The learned value function is then used to derive step-wise process rewards through advantage estimation, enabling dense and reliable supervision without environment backtracking or human annotation. Leveraging these signals, we perform behavior-proximal policy optimization that evolves the agent over the data used for process reward labeling, allowing iterative self-improvement without exacerbating distribution shift. We evaluate our method on AlfWorld, WebShop, and ScienceWorld, showing Q-Evolve outperforms strong baselines in sample efficiency, robustness, and overall task performance. Our results demonstrate that stable agent self-evolution is achievable through the co-evolution of process-level supervision and policy, both grounded within a shared in-distribution learning loop.

  • 4 authors
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Jun 4

Vision-R1: Evolving Human-Free Alignment in Large Vision-Language Models via Vision-Guided Reinforcement Learning

Large Vision-Language Models (LVLMs) typically follow a two-stage training paradigm-pretraining and supervised fine-tuning. Recently, preference optimization, derived from the language domain, has emerged as an effective post-training reinforcement strategy to enhance capabilities of LVLMs. However, constructing high-quality human-annotated preference data and developing robust reward models to mimic these preferences are both costly and challenging. Motivated by this observation, we propose Vision-R1, a novel vision-guided R1-like reinforcement learning algorithm for LVLMs that rewards models with definitive vision feedback. It only leverages curated instruction data, eliminating the need for specialized reward models and handcrafted preference datasets. We incorporate a criterion-driven reward function that further integrates multi-dimensional feedback to evaluate model completions comprehensively based on the vision task logic. Furthermore, we introduce a progressive rule refinement strategy that dynamically adjusts the reward criteria during training, enabling continuous model improvement and mitigating reward hacking. Extensive experiments on both in-distribution and out-of-distribution benchmarks demonstrate that fine-tuning the 7B LVLMs with Vision-R1 achieves consistent performance gains, with even up to 50% improvement and surpassing the state-of-the-art 10x size model.

  • 7 authors
·
Mar 23, 2025 2

TACO: Think-Answer Consistency for Optimized Long-Chain Reasoning and Efficient Data Learning via Reinforcement Learning in LVLMs

DeepSeek R1 has significantly advanced complex reasoning for large language models (LLMs). While recent methods have attempted to replicate R1's reasoning capabilities in multimodal settings, they face limitations, including inconsistencies between reasoning and final answers, model instability and crashes during long-chain exploration, and low data learning efficiency. To address these challenges, we propose TACO, a novel reinforcement learning algorithm for visual reasoning. Building on Generalized Reinforcement Policy Optimization (GRPO), TACO introduces Think-Answer Consistency, which tightly couples reasoning with answer consistency to ensure answers are grounded in thoughtful reasoning. We also introduce the Rollback Resample Strategy, which adaptively removes problematic samples and reintroduces them to the sampler, enabling stable long-chain exploration and future learning opportunities. Additionally, TACO employs an adaptive learning schedule that focuses on moderate difficulty samples to optimize data efficiency. Furthermore, we propose the Test-Time-Resolution-Scaling scheme to address performance degradation due to varying resolutions during reasoning while balancing computational overhead. Extensive experiments on in-distribution and out-of-distribution benchmarks for REC and VQA tasks show that fine-tuning LVLMs leads to significant performance improvements.

  • 11 authors
·
May 27, 2025

COOkeD: Ensemble-based OOD detection in the era of zero-shot CLIP

Out-of-distribution (OOD) detection is an important building block in trustworthy image recognition systems as unknown classes may arise at test-time. OOD detection methods typically revolve around a single classifier, leading to a split in the research field between the classical supervised setting (e.g. ResNet18 classifier trained on CIFAR100) vs. the zero-shot setting (class names fed as prompts to CLIP). In both cases, an overarching challenge is that the OOD detection performance is implicitly constrained by the classifier's capabilities on in-distribution (ID) data. In this work, we show that given a little open-mindedness from both ends, remarkable OOD detection can be achieved by instead creating a heterogeneous ensemble - COOkeD combines the predictions of a closed-world classifier trained end-to-end on a specific dataset, a zero-shot CLIP classifier, and a linear probe classifier trained on CLIP image features. While bulky at first sight, this approach is modular, post-hoc and leverages the availability of pre-trained VLMs, thus introduces little overhead compared to training a single standard classifier. We evaluate COOkeD on popular CIFAR100 and ImageNet benchmarks, but also consider more challenging, realistic settings ranging from training-time label noise, to test-time covariate shift, to zero-shot shift which has been previously overlooked. Despite its simplicity, COOkeD achieves state-of-the-art performance and greater robustness compared to both classical and CLIP-based OOD detection methods. Code is available at https://github.com/glhr/COOkeD

  • 4 authors
·
Jul 30, 2025

Prismatic Synthesis: Gradient-based Data Diversification Boosts Generalization in LLM Reasoning

Effective generalization in language models depends critically on the diversity of their training data. Yet existing diversity metrics often fall short of this goal, relying on surface-level heuristics that are decoupled from model behavior. This motivates us to ask: What kind of diversity in training data actually drives generalization in language models -- and how can we measure and amplify it? Through large-scale empirical analyses spanning over 300 training runs, carefully controlled for data scale and quality, we show that data diversity can be a strong predictor of generalization in LLM reasoning -- as measured by average model performance on unseen out-of-distribution benchmarks. We introduce G-Vendi, a metric that quantifies diversity via the entropy of model-induced gradients. Despite using a small off-the-shelf proxy model for gradients, G-Vendi consistently outperforms alternative measures, achieving strong correlation (Spearman's rho approx 0.9) with out-of-distribution (OOD) performance on both natural language inference (NLI) and math reasoning tasks. Building on this insight, we present Prismatic Synthesis, a framework for generating diverse synthetic data by targeting underrepresented regions in gradient space. Experimental results show that Prismatic Synthesis consistently improves model performance as we scale synthetic data -- not just on in-distribution test but across unseen, out-of-distribution benchmarks -- significantly outperforming state-of-the-art models that rely on 20 times larger data generator than ours. For example, PrismMath-7B, our model distilled from a 32B LLM, outperforms R1-Distill-Qwen-7B -- the same base model trained on proprietary data generated by 671B R1 -- on 6 out of 7 challenging benchmarks.

  • 10 authors
·
May 26, 2025

MultiOOD: Scaling Out-of-Distribution Detection for Multiple Modalities

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. Our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

  • 4 authors
·
May 27, 2024

The PanAf-FGBG Dataset: Understanding the Impact of Backgrounds in Wildlife Behaviour Recognition

Computer vision analysis of camera trap video footage is essential for wildlife conservation, as captured behaviours offer some of the earliest indicators of changes in population health. Recently, several high-impact animal behaviour datasets and methods have been introduced to encourage their use; however, the role of behaviour-correlated background information and its significant effect on out-of-distribution generalisation remain unexplored. In response, we present the PanAf-FGBG dataset, featuring 20 hours of wild chimpanzee behaviours, recorded at over 350 individual camera locations. Uniquely, it pairs every video with a chimpanzee (referred to as a foreground video) with a corresponding background video (with no chimpanzee) from the same camera location. We present two views of the dataset: one with overlapping camera locations and one with disjoint locations. This setup enables, for the first time, direct evaluation of in-distribution and out-of-distribution conditions, and for the impact of backgrounds on behaviour recognition models to be quantified. All clips come with rich behavioural annotations and metadata including unique camera IDs and detailed textual scene descriptions. Additionally, we establish several baselines and present a highly effective latent-space normalisation technique that boosts out-of-distribution performance by +5.42% mAP for convolutional and +3.75% mAP for transformer-based models. Finally, we provide an in-depth analysis on the role of backgrounds in out-of-distribution behaviour recognition, including the so far unexplored impact of background durations (i.e., the count of background frames within foreground videos).

  • 20 authors
·
Feb 28, 2025

ICL-D3IE: In-Context Learning with Diverse Demonstrations Updating for Document Information Extraction

Large language models (LLMs), such as GPT-3 and ChatGPT, have demonstrated remarkable results in various natural language processing (NLP) tasks with in-context learning, which involves inference based on a few demonstration examples. Despite their successes in NLP tasks, no investigation has been conducted to assess the ability of LLMs to perform document information extraction (DIE) using in-context learning. Applying LLMs to DIE poses two challenges: the modality and task gap. To this end, we propose a simple but effective in-context learning framework called ICL-D3IE, which enables LLMs to perform DIE with different types of demonstration examples. Specifically, we extract the most difficult and distinct segments from hard training documents as hard demonstrations for benefiting all test instances. We design demonstrations describing relationships that enable LLMs to understand positional relationships. We introduce formatting demonstrations for easy answer extraction. Additionally, the framework improves diverse demonstrations by updating them iteratively. Our experiments on three widely used benchmark datasets demonstrate that the ICL-D3IE framework enables Davinci-003/ChatGPT to achieve superior performance when compared to previous pre-trained methods fine-tuned with full training in both the in-distribution (ID) setting and in the out-of-distribution (OOD) setting. Code is available at https://github.com/MAEHCM/ICL-D3IE.

  • 7 authors
·
Mar 9, 2023

TubeMLLM: A Foundation Model for Topology Knowledge Exploration in Vessel-like Anatomy

Modeling medical vessel-like anatomy is challenging due to its intricate topology and sensitivity to dataset shifts. Consequently, task-specific models often suffer from topological inconsistencies, including artificial disconnections and spurious merges. Motivated by the promise of multimodal large language models (MLLMs) for zero-shot generalization, we propose TubeMLLM, a unified foundation model that couples structured understanding with controllable generation for medical vessel-like anatomy. By integrating topological priors through explicit natural language prompting and aligning them with visual representations in a shared-attention architecture, TubeMLLM significantly enhances topology-aware perception. Furthermore, we construct TubeMData, a pionner multimodal benchmark comprising comprehensive topology-centric tasks, and introduce an adaptive loss weighting strategy to emphasize topology-critical regions during training. Extensive experiments on fifteen diverse datasets demonstrate our superiority. Quantitatively, TubeMLLM achieves state-of-the-art out-of-distribution performance, substantially reducing global topological discrepancies on color fundus photography (decreasing the β_{0} number error from 37.42 to 8.58 compared to baselines). Notably, TubeMLLM exhibits exceptional zero-shot cross-modality transferring ability on unseen X-ray angiography, achieving a Dice score of 67.50% while significantly reducing the β_{0} error to 1.21. TubeMLLM also maintains robustness against degradations such as blur, noise, and low resolution. Furthermore, in topology-aware understanding tasks, the model achieves 97.38% accuracy in evaluating mask topological quality, significantly outperforming standard vision-language baselines.

  • 5 authors
·
Mar 10

WildTrace: Benchmarking Natural Evidence Trails in Long-Context Reasoning

Answering complex questions over long documents frequently requires integrating evidence that the source itself disperses naturally across distant passages. In an incident report, the operating condition, design flaw, and missed safety check that jointly explain a disaster may appear dozens of sections apart; in a novel, a character's true motive may surface only through scenes far removed from the moment it becomes relevant. This source-internal evidence integration is central to real-world long-document analysis, yet existing benchmarks largely sidestep it. Needle probes, planted facts, and reverse-engineered multi-hop chains embed evidence that may differ from the host text in distribution, placement, or register, making it unclear whether strong performance reflects genuine source reasoning or distributional artifacts. We introduce WILDTRACE, a benchmark of 481 tasks over 214 naturally occurring long-form sources such as technical incident reports and lesser-known literary narratives, where all evidence trails arise from the document's own causal, temporal, and narrative logic. Drawing on Pearl's causal hierarchy and prior multi-hop reasoning typologies, we define seven source-internal evidence geometries that characterize the distinct relational demands of analytical reading in long documents. A source-first construction pipeline mines candidate trails from document structure before writing questions; each item then undergoes multi-stage validation covering clue necessity, answer groundedness, rubric fidelity, contamination resistance and answerability. As models are increasingly entrusted with real-world high-stakes analytical tasks, this gap between accessing information and reasoning over naturally dispersed evidence emerges as a defining challenge for the next stage of long-context research.

  • 10 authors
·
Jul 22

STARS: Skill-Triggered Audit for Request-Conditioned Invocation Safety in Agent Systems

Autonomous language-model agents increasingly rely on installable skills and tools to complete user tasks. Static skill auditing can expose capability surface before deployment, but it cannot determine whether a particular invocation is unsafe under the current user request and runtime context. We therefore study skill invocation auditing as a continuous-risk estimation problem: given a user request, candidate skill, and runtime context, predict a score that supports ranking and triage before a hard intervention is applied. We introduce STARS, which combines a static capability prior, a request-conditioned invocation risk model, and a calibrated risk-fusion policy. To evaluate this setting, we construct SIA-Bench, a benchmark of 3,000 invocation records with group-safe splits, lineage metadata, runtime context, canonical action labels, and derived continuous-risk targets. On a held-out split of indirect prompt injection attacks, calibrated fusion reaches 0.439 high-risk AUPRC, improving over 0.405 for the contextual scorer and 0.380 for the strongest static baseline, while the contextual scorer remains better calibrated with 0.289 expected calibration error. On the locked in-distribution test split, gains are smaller and static priors remain useful. The resulting claim is therefore narrower: request-conditioned auditing is most valuable as an invocation-time risk-scoring and triage layer rather than as a replacement for static screening. Code is available at https://github.com/123zgj123/STARS.

  • 4 authors
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Apr 10

CheXanatomy: Anatomy-Aware Vision-Language Modeling for Chest Radiographs

Vision-language models (VLMs) pretrained on large-scale image-text pairs demonstrate strong image-level understanding, but are primarily optimized for global alignment and do not explicitly encode fine-grained anatomical structure, limiting their suitability for spatially precise tasks such as segmentation. We introduce CheXanatomy, a framework that integrates explicit anatomical knowledge into a pretrained VLM through autoregressive token-space supervision. Instead of adding task-specific decoder heads, the model is trained to generate anatomical segmentation masks via next-token prediction. To enable scalable supervision, we synthesize realistic chest radiographs from CT volumes and forward-project CT segmentation labels to obtain anatomically consistent 2D masks. We evaluate the approach on synthetic and real chest radiographs against a U-Net baseline, including ablations on model scale, input resolution, and vision encoder fine-tuning. Autoregressive anatomical supervision achieves performance comparable to specialized convolutional models in-distribution and demonstrates improved geometric robustness under domain shift to real CXR data. In addition, anatomy-pretrained models exhibit improved sample efficiency when adapting to novel localization tasks under limited supervision. Larger models and higher input image resolution improve performance, while vision encoder fine-tuning has limited effect. These results show that embedding anatomical structure directly into the generative objective promotes spatially grounded representations and supports anatomy-aware medical vision-language modeling.

  • 3 authors
·
Jun 24

Quantifying Generalization Complexity for Large Language Models

While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold - referred to as critical complexity - where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28LLMs including both open-sourced models such as LLaMA and Qwen families, and close-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

  • 8 authors
·
Oct 2, 2024 2

PDEInvBench: A Comprehensive Dataset and Design Space Exploration of Neural Networks for PDE Inverse Problems

Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields.Neural networks are well-suited for PDE parameter estimation due to their capability to model function-to-function space transformations. While existing benchmarks of machine learning methods for PDEs primarily focus on the forward problem, there are no similar comprehensive studies and benchmark datasets on PDE inverse problems, i.e., mapping solution fields to underlying physical parameters. We fill this gap by introducing PDEInvBench, a comprehensive benchmark dataset consisting of numerical simulations for both time-dependent and time-independent PDEs across a wide range of physical behaviors and parameters. Our dataset includes evaluation splits that assess performance in both in-distribution and various out-of-distribution settings. Using our benchmark dataset, we comprehensively explore the design space of neural networks for PDE inverse problems along three key dimensions: (1) optimization procedures, analyzing the role of supervised, self-supervised, and test-time training objectives on performance, (2) problem representations, where we study the value of architectural choices with different inductive biases and various conditioning strategies, and (3) scaling, which we perform with respect to both model and data size. Our experiments reveal several practical insights: 1) neural networks perform best with a two-stage training procedure: initial supervision with PDE parameters followed by test-time fine-tuning using the PDE residual, 2) incorporating PDE derivatives as input features consistently improves accuracy, and 3) increasing the diversity of initial conditions in the training data yields greater performance gains than expanding the range of PDE parameters. We make our dataset and codebase publicly available.

  • 4 authors
·
May 24

AttriLens-Mol: Attribute Guided Reinforcement Learning for Molecular Property Prediction with Large Language Models

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ reinforcement learning for an extended ``thinking'' process, their reasoning can be verbose and lack relevance. We introduce AttriLens-Mol, an attribute-guided reinforcement learning framework for molecular property prediction with LLMs. AttriLens-Mol steers the model's reasoning by using: (1) a format reward encouraging attribute-based structured output, (2) a count reward to avoid enumerating irrelevant attributes, and (3) a rationality reward using advanced LLMs and RDKit to verify the relatedness of the generated attributes. This approach implicitly elicits the model's inherent knowledge of relevant molecular attributes during reasoning, enables making predictions for the molecular property more effectively. Experiments on both in-distribution and out-of-distribution datasets show that, training both 7B-size R1-Distilled-Qwen2.5 and R1-Distilled-LLaMA3.1 models on 4,000 samples with our proposed AttriLens-Mol method significantly boosts the performance, getting comparable or better results than supervised fine-tuning models (Mol-Instructions, ChemDFM, etc.) and advanced models (GPT-3.5, GPT-4o, DeepSeek-V3, DeepSeek-R1, etc.). Further, our extracted attributes for the target property, when used as features for an interpretable decision tree model, yield superior performance compared to attributes generated by prompting LLMs. This shows that AttriLens-Mol effectively elicits more relevant and predictive molecular attributes, leading to enhanced interpretability and performance for property prediction. We release the code in https://github.com/szu-tera/AttriLens-Mol.

  • 3 authors
·
Aug 6, 2025

Optimizing Calibration by Gaining Aware of Prediction Correctness

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

  • 5 authors
·
Apr 19, 2024

SaySelf: Teaching LLMs to Express Confidence with Self-Reflective Rationales

Large language models (LLMs) often generate inaccurate or fabricated information and generally fail to indicate their confidence, which limits their broader applications. Previous work elicits confidence from LLMs by direct or self-consistency prompting, or constructing specific datasets for supervised finetuning. The prompting-based approaches have inferior performance, and the training-based approaches are limited to binary or inaccurate group-level confidence estimates. In this work, we present the advanced SaySelf, a training framework that teaches LLMs to express more accurate fine-grained confidence estimates. In addition, beyond the confidence scores, SaySelf initiates the process of directing LLMs to produce self-reflective rationales that clearly identify gaps in their parametric knowledge and explain their uncertainty. This is achieved by using an LLM to automatically summarize the uncertainties in specific knowledge via natural language. The summarization is based on the analysis of the inconsistency in multiple sampled reasoning chains, and the resulting data is utilized for supervised fine-tuning. Moreover, we utilize reinforcement learning with a meticulously crafted reward function to calibrate the confidence estimates, motivating LLMs to deliver accurate, high-confidence predictions and to penalize overconfidence in erroneous outputs. Experimental results in both in-distribution and out-of-distribution datasets demonstrate the effectiveness of SaySelf in reducing the confidence calibration error and maintaining the task performance. We show that the generated self-reflective rationales are reasonable and can further contribute to the calibration. The code is made public at https://github.com/xu1868/SaySelf.

  • 7 authors
·
May 31, 2024

How to Instruct Your Robot: Dense Language Annotations Power Robot Policy Learning

Scaling robot policy learning is bottlenecked by the cost of collecting demonstrations, while language annotations for existing demonstrations are comparatively cheap. We study language density as a lever for extracting more signal from a fixed robot or egocentric-video corpus. We introduce DeMiAn (Dense Multi-aspect Annotation), a two-stage approach that first re-labels demonstration segments with VLM-generated annotations along four complementary aspects: physical motion, scene composition, arm pose, and reasoning. A learned instructor then maps a task description and initial scene snapshot to a task-appropriate annotation at deployment, running asynchronously so generation latency is hidden behind policy execution. Across over 1M robot manipulation clips and 50K EgoVerse human-egocentric videos, DeMiAn improves both a vision-language-action policy and a video-based world-action model without collecting new demonstrations. On RoboCasa, the instructor raises success by 5 points over a task-only baseline and comes within 3 points of a per-task oracle. No fixed annotation aspect dominates across tasks, showing that selecting the right dense language matters. DeMiAn also improves composite-task and out-of-distribution performance, and shifts the compute-performance frontier in both mid-training and post-training after accounting for annotation-generation FLOPs. These results position dense re-annotation as a practical scaling lever for robot policy learning.

  • 8 authors
·
May 15

VisionTS++: Cross-Modal Time Series Foundation Model with Continual Pre-trained Vision Backbones

Recent studies have indicated that vision models pre-trained on images can serve as time series foundation models (TSFMs) by reformulating time series forecasting (TSF) as image reconstruction. However, effective cross-modal transfer from vision to time series remains challenging due to three discrepancies: (1) the data-modality gap between structured, bounded image data and unbounded, heterogeneous time series; (2) the multivariate-forecasting gap between fixed RGB-three-channel vision models and time series with arbitrary numbers of variates; and (3) the probabilistic-forecasting gap between the deterministic outputs of vision models and the requirement for uncertainty-aware probabilistic predictions. To bridge these gaps, we propose VisonTS++, a TSFM based on continual pre-training of a vision model on large-scale time series. Our approach introduces three key innovations: (1) vision-model-based filtering to identify high-quality sequences to stabilize pre-training and mitigate modality gap; (2) colorized multivariate conversion, encoding multivariate series as multi-subfigure RGB images to enhance cross-variate modeling; (3) multi-quantile forecasting, using parallel reconstruction heads to generate quantile forecasts without parametric assumptions. Experiments show that VisionTS++ achieves state-of-the-art performance in both in-distribution and out-of-distribution forecasting, outperforming specialized TSFMs by 6%-44% in MSE reduction and ranking first in GIFT-Eval benchmark which comprises 23 datasets across 7 domains. Our work demonstrates that with appropriate adaptation, vision models can effectively generalize to TSF, thus advancing the pursuit of universal TSFMs. Code is available at https://github.com/HALF111/VisionTSpp.

  • 8 authors
·
Aug 6, 2025

MIND: From Passive Mimicry to Active Reasoning through Capability-Aware Multi-Perspective CoT Distillation

While Large Language Models (LLMs) have emerged with remarkable capabilities in complex tasks through Chain-of-Thought reasoning, practical resource constraints have sparked interest in transferring these abilities to smaller models. However, achieving both domain performance and cross-domain generalization remains challenging. Existing approaches typically restrict students to following a single golden rationale and treat different reasoning paths independently. Due to distinct inductive biases and intrinsic preferences, alongside the student's evolving capacity and reasoning preferences during training, a teacher's "optimal" rationale could act as out-of-distribution noise. This misalignment leads to a degeneration of the student's latent reasoning distribution, causing suboptimal performance. To bridge this gap, we propose MIND, a capability-adaptive framework that transitions distillation from passive mimicry to active cognitive construction. We synthesize diverse teacher perspectives through a novel "Teaching Assistant" network. By employing a Feedback-Driven Inertia Calibration mechanism, this network utilizes inertia-filtered training loss to align supervision with the student's current adaptability, effectively enhancing performance while mitigating catastrophic forgetting. Extensive experiments demonstrate that MIND achieves state-of-the-art performance on both in-distribution and out-of-distribution benchmarks, and our sophisticated latent space analysis further confirms the mechanism of reasoning ability internalization.

  • 9 authors
·
Jan 7

Uncertainty-Calibrated Test-Time Model Adaptation without Forgetting

Test-time adaptation (TTA) seeks to tackle potential distribution shifts between training and test data by adapting a given model w.r.t. any test sample. Although recent TTA has shown promising performance, we still face two key challenges: 1) prior methods perform backpropagation for each test sample, resulting in unbearable optimization costs to many applications; 2) while existing TTA can significantly improve the test performance on out-of-distribution data, they often suffer from severe performance degradation on in-distribution data after TTA (known as forgetting). To this end, we have proposed an Efficient Anti-Forgetting Test-Time Adaptation (EATA) method which develops an active sample selection criterion to identify reliable and non-redundant samples for test-time entropy minimization. To alleviate forgetting, EATA introduces a Fisher regularizer estimated from test samples to constrain important model parameters from drastic changes. However, in EATA, the adopted entropy loss consistently assigns higher confidence to predictions even for samples that are underlying uncertain, leading to overconfident predictions. To tackle this, we further propose EATA with Calibration (EATA-C) to separately exploit the reducible model uncertainty and the inherent data uncertainty for calibrated TTA. Specifically, we measure the model uncertainty by the divergence between predictions from the full network and its sub-networks, on which we propose a divergence loss to encourage consistent predictions instead of overconfident ones. To further recalibrate prediction confidence, we utilize the disagreement among predicted labels as an indicator of the data uncertainty, and then devise a min-max entropy regularizer to selectively increase and decrease prediction confidence for different samples. Experiments on image classification and semantic segmentation verify the effectiveness of our methods.

  • 7 authors
·
Mar 18, 2024

Test-time adaptation with slot-centric models

Current supervised visual detectors, though impressive within their training distribution, often fail to segment out-of-distribution scenes into their constituent entities. Recent test-time adaptation methods use auxiliary self-supervised losses to adapt the network parameters to each test example independently and have shown promising results towards generalization outside the training distribution for the task of image classification. In our work, we find evidence that these losses can be insufficient for instance segmentation tasks, without also considering architectural inductive biases. For image segmentation, recent slot-centric generative models break such dependence on supervision by attempting to segment scenes into entities in a self-supervised manner by reconstructing pixels. Drawing upon these two lines of work, we propose Slot-TTA, a semi-supervised instance segmentation model equipped with a slot-centric inductive bias, that is adapted per scene at test time through gradient descent on reconstruction or novel view synthesis objectives. We show that test-time adaptation in Slot-TTA greatly improves instance segmentation in out-of-distribution scenes. We evaluate Slot-TTA in several 3D and 2D scene instance segmentation benchmarks and show substantial out-of-distribution performance improvements against state-of-the-art supervised feed-forward detectors and self-supervised test-time adaptation methods.

  • 9 authors
·
Mar 21, 2022

Metis-SPECS: Decoupling Multimodal Learning via Self-distilled Preference-based Cold Start

Reinforcement learning (RL) with verifiable rewards has recently catalyzed a wave of "MLLM-r1" approaches that bring RL to vision language models. Most representative paradigms begin with a cold start, typically employing supervised fine-tuning (SFT), to initialize the policy before RL. However, SFT-based cold start adopts the reasoning paradigm intertwined with task solution and output format, which may induce instruction-style overfitting, weakens out-of-distribution generalization, and ultimately affects downstream RL. We revisit the cold start along two views, its training method and data construction, and introduce the Generalization Factor (GF) coefficient to quantify the generalization capability under different methods. Our empirical study finds that preference-based training methods (e.g. DPO) generalizes better than SFT-based methods in cold start. Motivated by this, we propose SPECS-a Self-distilled, Preference-based Cold Start framework that decouples multimodal learning: (1) generates introspective preference data pairs via self-distillation, avoiding reliance on larger teachers or manual annotation; (2) performs preference-based training to learn, focusing on shallow, transferable surface-form criteria (format, structure, style) rather than memorizing content; and (3) hands off to RL with verifiable rewards for deep reasoning results. Experimental results across multiple multimodal benchmarks show that our decoupling learning framework yields consistent performance gains over strong baselines, improving MEGA-Bench by 4.1% and MathVista by 12.2%. Additional experiments indicate that SPECS contributes to reducing in-distribution "stuckness," improving exploration, stabilizing training, and raising the performance ceiling.

  • 7 authors
·
Oct 28, 2025