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Jul 30

EC-Diffuser: Multi-Object Manipulation via Entity-Centric Behavior Generation

Object manipulation is a common component of everyday tasks, but learning to manipulate objects from high-dimensional observations presents significant challenges. These challenges are heightened in multi-object environments due to the combinatorial complexity of the state space as well as of the desired behaviors. While recent approaches have utilized large-scale offline data to train models from pixel observations, achieving performance gains through scaling, these methods struggle with compositional generalization in unseen object configurations with constrained network and dataset sizes. To address these issues, we propose a novel behavioral cloning (BC) approach that leverages object-centric representations and an entity-centric Transformer with diffusion-based optimization, enabling efficient learning from offline image data. Our method first decomposes observations into an object-centric representation, which is then processed by our entity-centric Transformer that computes attention at the object level, simultaneously predicting object dynamics and the agent's actions. Combined with the ability of diffusion models to capture multi-modal behavior distributions, this results in substantial performance improvements in multi-object tasks and, more importantly, enables compositional generalization. We present BC agents capable of zero-shot generalization to tasks with novel compositions of objects and goals, including larger numbers of objects than seen during training. We provide video rollouts on our webpage: https://sites.google.com/view/ec-diffuser.

  • 5 authors
·
Dec 25, 2024

Policy-Guided Diffusion

In many real-world settings, agents must learn from an offline dataset gathered by some prior behavior policy. Such a setting naturally leads to distribution shift between the behavior policy and the target policy being trained - requiring policy conservatism to avoid instability and overestimation bias. Autoregressive world models offer a different solution to this by generating synthetic, on-policy experience. However, in practice, model rollouts must be severely truncated to avoid compounding error. As an alternative, we propose policy-guided diffusion. Our method uses diffusion models to generate entire trajectories under the behavior distribution, applying guidance from the target policy to move synthetic experience further on-policy. We show that policy-guided diffusion models a regularized form of the target distribution that balances action likelihood under both the target and behavior policies, leading to plausible trajectories with high target policy probability, while retaining a lower dynamics error than an offline world model baseline. Using synthetic experience from policy-guided diffusion as a drop-in substitute for real data, we demonstrate significant improvements in performance across a range of standard offline reinforcement learning algorithms and environments. Our approach provides an effective alternative to autoregressive offline world models, opening the door to the controllable generation of synthetic training data.

  • 6 authors
·
Apr 9, 2024

Reward Generalization in RLHF: A Topological Perspective

Existing alignment methods share a common topology of information flow, where reward information is collected from humans, modeled with preference learning, and used to tune language models. However, this shared topology has not been systematically characterized, nor have its alternatives been thoroughly explored, leaving the problems of low data efficiency and unreliable generalization unaddressed. As a solution, we introduce a theoretical framework for investigating reward generalization in reinforcement learning from human feedback (RLHF), focusing on the topology of information flow at both macro and micro levels. At the macro level, we portray the RLHF information flow as an autoencoding process over behavior distributions, formalizing the RLHF objective of distributional consistency between human preference and model behavior. At the micro level, we present induced Bayesian networks as a theory of reward generalization in RLHF, introducing fine-grained dataset topologies into generalization bounds. Combining analysis on both levels, we propose reward modeling from tree-structured preference information. It is shown to reduce reward uncertainty by up to Theta(log n/loglog n) times compared to baselines, where n is the dataset size. Validation on three NLP tasks shows that our tree-based reward model achieves an average win rate of 65% against baseline methods, thus improving reward generalization for free via topology design.

  • 10 authors
·
Feb 15, 2024

HRIBench: Benchmarking Interaction-Centric Human-Robot Collaboration

Current vision-language-action (VLA) benchmarks primarily evaluate isolated manipulation skills while leaving human-robot interaction structure largely unmodeled. However, real-world collaboration fundamentally requires coordination under shared agency, including intent understanding, temporal synchronization, protocol adherence, and safe interaction in dynamic environments. To address this gap, we introduce HRIBench, a diagnostic benchmark for intent-aware human-robot collaboration based on executable interaction scenarios. HRIBench represents collaborative tasks as structured scenario scripts that explicitly model agent roles, temporal dependencies, coordination constraints, and human behavior distributions. Building on this abstraction, HRIBench defines three representative interaction roles: Instructor, Collaborator, and Intruder, covering intent communication, joint coordination, and robustness under human intervention. The benchmark contains 13 role-conditioned tasks with over 650 evaluation episodes generated from diverse interaction trajectories and scene variations. Beyond binary task success, HRIBench introduces interpretable interaction-centric metrics spanning synchronization, responsiveness, protocol compliance, and safety. We evaluate adapted policies based on GR00T, pi0.5, and ACT under a unified protocol. Results show that current foundation robot policies struggle substantially in collaborative settings despite strong manipulation ability, revealing major limitations in temporal coordination and intent-aware behavior. Fine-tuning on HRIBench consistently improves collaborative performance. In a real-world adaptation study, simulation data generated by HRIBench improves GR00T N1.5's physical-task success rate from 0.10 to 0.43, demonstrating the benchmark's value for advancing interaction-centric robot learning.

  • 6 authors
·
Jul 4

Artificial Intelligence in Port Logistics: A Bibliometric Analysis of Technological Integration and Research Dynamics

The paper explores the transformation of port logistics operations with artificial intelligence during the port transformation into a smart port. The research integrates capabilities-based resource analysis and dynamic capabilities with sociotechnicalimplementations of technologies and resilience approaches of complex systems under disruptions. The system applies robustdata infrastructures to propel analytical and AI modules that become effective once integrated with sufficient governance systems and trained personnel and operational processes to transform planning and safety and sustainability operations.It applies Scopus bibliometric research to analyze 123 articles using a systematic approach with both a search protocol and a document screening and duplication verification. It incorporates annual behavior and distribution of author and country performance analysis with science mapping techniques that explore keyword relation and co-citation and bibliographic coupling and conceptual structuring tools that construct thematic maps and multiple correspondence analysis with community detection while applying explicit thresholding and robust tests.The research connects AI applications to smart port domains through specific data-to-impact pathways while providing a method for bibliometric analysis that enables future updates. The research presents a step-by-step approach for data readiness followed by predictive and optimization implementation and organizational integration. The paper supports public policy through recommendations for data sharing standards and complete environmental benefit assessments. The research proposes a future study plan whichcombines field-based testing with multiple port assessments to enhance both cause-effect understanding and research applicability.

  • 4 authors
·
Oct 7, 2025

What Algorithms can Transformers Learn? A Study in Length Generalization

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true algorithm for solving a task. We study the scope of Transformers' abilities in the specific setting of length generalization on algorithmic tasks. Here, we propose a unifying framework to understand when and how Transformers can exhibit strong length generalization on a given task. Specifically, we leverage RASP (Weiss et al., 2021) -- a programming language designed for the computational model of a Transformer -- and introduce the RASP-Generalization Conjecture: Transformers tend to length generalize on a task if the task can be solved by a short RASP program which works for all input lengths. This simple conjecture remarkably captures most known instances of length generalization on algorithmic tasks. Moreover, we leverage our insights to drastically improve generalization performance on traditionally hard tasks (such as parity and addition). On the theoretical side, we give a simple example where the "min-degree-interpolator" model of learning from Abbe et al. (2023) does not correctly predict Transformers' out-of-distribution behavior, but our conjecture does. Overall, our work provides a novel perspective on the mechanisms of compositional generalization and the algorithmic capabilities of Transformers.

  • 8 authors
·
Oct 24, 2023

Latent Denoising Improves Visual Alignment in Large Multimodal Models

Large Multimodal Models (LMMs) such as LLaVA are typically trained with an autoregressive language modeling objective, providing only indirect supervision to visual tokens. This often yields weak internal visual representations and brittle behavior under distribution shift. Inspired by recent progress on latent denoising for learning high-quality visual tokenizers, we show that the same principle provides an effective form of visual supervision for improving internal visual feature alignment and multimodal understanding in LMMs. We propose a latent denoising framework that corrupts projected visual tokens using a saliency-aware mixture of masking and Gaussian noising. The LMM is trained to denoise these corrupted tokens by recovering clean teacher patch features from hidden states at a selected intermediate LLM layer using a decoder. To prevent representation collapse, our framework also preserves the teacher's intra-image similarity structure and applies intra-image contrastive patch distillation. During inference, corruption and auxiliary heads are disabled, introducing no additional inference-time overhead. Across a broad suite of standard multimodal benchmarks, our method consistently improves visual understanding and reasoning over strong baselines, and yields clear gains on compositional robustness benchmarks (e.g., NaturalBench). Moreover, under ImageNet-C-style non-adversarial common corruptions applied to benchmark images, our method maintains higher accuracy and exhibits reduced degradation at both moderate and severe corruption levels. Our code is available at https://github.com/dhruvashp/latent-denoising-for-lmms.

  • 4 authors
·
Apr 22

EBT-Policy: Energy Unlocks Emergent Physical Reasoning Capabilities

Implicit policies parameterized by generative models, such as Diffusion Policy, have become the standard for policy learning and Vision-Language-Action (VLA) models in robotics. However, these approaches often suffer from high computational cost, exposure bias, and unstable inference dynamics, which lead to divergence under distribution shifts. Energy-Based Models (EBMs) address these issues by learning energy landscapes end-to-end and modeling equilibrium dynamics, offering improved robustness and reduced exposure bias. Yet, policies parameterized by EBMs have historically struggled to scale effectively. Recent work on Energy-Based Transformers (EBTs) demonstrates the scalability of EBMs to high-dimensional spaces, but their potential for solving core challenges in physically embodied models remains underexplored. We introduce a new energy-based architecture, EBT-Policy, that solves core issues in robotic and real-world settings. Across simulated and real-world tasks, EBT-Policy consistently outperforms diffusion-based policies, while requiring less training and inference computation. Remarkably, on some tasks it converges within just two inference steps, a 50x reduction compared to Diffusion Policy's 100. Moreover, EBT-Policy exhibits emergent capabilities not seen in prior models, such as zero-shot recovery from failed action sequences using only behavior cloning and without explicit retry training. By leveraging its scalar energy for uncertainty-aware inference and dynamic compute allocation, EBT-Policy offers a promising path toward robust, generalizable robot behavior under distribution shifts.

  • 8 authors
·
Oct 31, 2025 3

Structure and Redundancy in Large Language Models: A Spectral Study via Random Matrix Theory

This thesis addresses two persistent and closely related challenges in modern deep learning, reliability and efficiency, through a unified framework grounded in Spectral Geometry and Random Matrix Theory (RMT). As deep networks and large language models continue to scale, their internal behavior becomes increasingly opaque, leading to hallucinations, fragile generalization under distribution shift, and growing computational and energy demands. By analyzing the eigenvalue dynamics of hidden activations across layers and inputs, this work shows that spectral statistics provide a compact, stable, and interpretable lens on model behavior, capable of separating structured, causal representations from noise-dominated variability. Within this framework, the first contribution, EigenTrack, introduces a real-time method for detecting hallucinations and out-of-distribution behavior in large language and vision-language models. EigenTrack transforms streaming activations into spectral descriptors such as entropy, variance, and deviations from the Marchenko-Pastur baseline, and models their temporal evolution using lightweight recurrent classifiers, enabling early detection of reliability failures before they appear in model outputs while offering interpretable insight into representation dynamics. The second contribution, RMT-KD, presents a principled approach to compressing deep networks via random matrix theoretic knowledge distillation. By interpreting outlier eigenvalues in activation spectra as carriers of task-relevant information, RMT-KD progressively projects networks onto lower-dimensional subspaces through iterative self-distillation, yielding significantly more compact and energy-efficient models while preserving accuracy and dense, hardware-friendly structure.

  • 1 authors
·
Feb 25

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

Beyond Mode Collapse: Distribution Matching for Diverse Reasoning

On-policy reinforcement learning methods like GRPO suffer from mode collapse: they exhibit reduced solution diversity, concentrating probability mass on a single solution once discovered and ceasing exploration of alternative strategies. We show this stems from reverse KL minimization's mode-seeking behavior, which reinforces the first high-reward trajectory found rather than maintaining a distribution over multiple diverse solutions. We propose DMPO (Distribution-Matching Policy Optimization), which prevents mode collapse through principled approximation of forward KL minimization. DMPO constructs a group level target distribution over sampled trajectories proportional to their rewards, then aligns the policy distribution to this target. This provides mode-covering behavior without requiring sampling from the intractable global target distribution, enabling sustained exploration throughout training. We validate DMPO on NP-hard combinatorial optimization, where exponentially many feasible solutions exist but only a few approach optimality, an ideal testbed for evaluating exploration. DMPO achieves 43.9% Quality Ratio on text-based NP-Bench (vs. GRPO's 40.1%) and 43.1% on vision-based NP-Bench (vs. 38.4%), demonstrating 9% and 12% relative improvements respectively. These gains generalize to mathematical reasoning (+2.0%) and out-of-domain tasks (+2.3%), showing that diversity-preserving training enhances general reasoning capabilities across modalities. Our work establishes distribution matching as a practical, principled approach to preventing mode collapse in on-policy RL, with consistent quality improvements demonstrating sustained exploration across diverse reasoning tasks.

Beyond Prompts: Unconditional 3D Inversion for Out-of-Distribution Shapes

Text-driven inversion of generative models is a core paradigm for manipulating 2D or 3D content, unlocking numerous applications such as text-based editing, style transfer, or inverse problems. However, it relies on the assumption that generative models remain sensitive to natural language prompts. We demonstrate that for state-of-the-art native text-to-3D generative models, this assumption often collapses. We identify a critical failure mode where generation trajectories are drawn into latent ``sink traps'': regions where the model becomes insensitive to prompt modifications. In these regimes, changes to the input text fail to alter internal representations in a way that alters the output geometry. Crucially, we observe that this is not a limitation of the model's geometric expressivity; the same generative models possess the ability to produce a vast diversity of shapes but, as we demonstrate, become insensitive to out-of-distribution text guidance. We investigate this behavior by analyzing the sampling trajectories of the generative model, and find that complex geometries can still be represented and produced by leveraging the model's unconditional generative prior. This leads to a more robust framework for text-based 3D shape editing that bypasses latent sinks by decoupling a model's geometric representation power from its linguistic sensitivity. Our approach addresses the limitations of current 3D pipelines and enables high-fidelity semantic manipulation of out-of-distribution 3D shapes. Project webpage: https://daidedou.sorpi.fr/publication/beyondprompts

  • 4 authors
·
Apr 15 2

ODICE: Revealing the Mystery of Distribution Correction Estimation via Orthogonal-gradient Update

In this study, we investigate the DIstribution Correction Estimation (DICE) methods, an important line of work in offline reinforcement learning (RL) and imitation learning (IL). DICE-based methods impose state-action-level behavior constraint, which is an ideal choice for offline learning. However, they typically perform much worse than current state-of-the-art (SOTA) methods that solely use action-level behavior constraint. After revisiting DICE-based methods, we find there exist two gradient terms when learning the value function using true-gradient update: forward gradient (taken on the current state) and backward gradient (taken on the next state). Using forward gradient bears a large similarity to many offline RL methods, and thus can be regarded as applying action-level constraint. However, directly adding the backward gradient may degenerate or cancel out its effect if these two gradients have conflicting directions. To resolve this issue, we propose a simple yet effective modification that projects the backward gradient onto the normal plane of the forward gradient, resulting in an orthogonal-gradient update, a new learning rule for DICE-based methods. We conduct thorough theoretical analyses and find that the projected backward gradient brings state-level behavior regularization, which reveals the mystery of DICE-based methods: the value learning objective does try to impose state-action-level constraint, but needs to be used in a corrected way. Through toy examples and extensive experiments on complex offline RL and IL tasks, we demonstrate that DICE-based methods using orthogonal-gradient updates (O-DICE) achieve SOTA performance and great robustness.

  • 4 authors
·
Feb 1, 2024

Data Distributional Properties Drive Emergent In-Context Learning in Transformers

Large transformer-based models are able to perform in-context few-shot learning, without being explicitly trained for it. This observation raises the question: what aspects of the training regime lead to this emergent behavior? Here, we show that this behavior is driven by the distributions of the training data itself. In-context learning emerges when the training data exhibits particular distributional properties such as burstiness (items appear in clusters rather than being uniformly distributed over time) and having large numbers of rarely occurring classes. In-context learning also emerges more strongly when item meanings or interpretations are dynamic rather than fixed. These properties are exemplified by natural language, but are also inherent to naturalistic data in a wide range of other domains. They also depart significantly from the uniform, i.i.d. training distributions typically used for standard supervised learning. In our initial experiments, we found that in-context learning traded off against more conventional weight-based learning, and models were unable to achieve both simultaneously. However, our later experiments uncovered that the two modes of learning could co-exist in a single model when it was trained on data following a skewed Zipfian distribution -- another common property of naturalistic data, including language. In further experiments, we found that naturalistic data distributions were only able to elicit in-context learning in transformers, and not in recurrent models. In sum, our findings indicate how the transformer architecture works together with particular properties of the training data to drive the intriguing emergent in-context learning behaviour of large language models, and how future work might encourage both in-context and in-weights learning in domains beyond language.

  • 8 authors
·
Apr 22, 2022

Alleviating Distribution Shift in Synthetic Data for Machine Translation Quality Estimation

Quality Estimation (QE) models evaluate the quality of machine translations without reference translations, serving as the reward models for the translation task. Due to the data scarcity, synthetic data generation has emerged as a promising solution. However, synthetic QE data often suffers from distribution shift, which can manifest as discrepancies between pseudo and real translations, or in pseudo labels that do not align with human preferences. To tackle this issue, we introduce DCSQE, a novel framework for alleviating distribution shift in synthetic QE data. To reduce the difference between pseudo and real translations, we employ the constrained beam search algorithm and enhance translation diversity through the use of distinct generation models. DCSQE uses references, i.e., translation supervision signals, to guide both the generation and annotation processes, enhancing the quality of token-level labels. DCSQE further identifies the shortest phrase covering consecutive error tokens, mimicking human annotation behavior, to assign the final phrase-level labels. Specially, we underscore that the translation model can not annotate translations of itself accurately. Extensive experiments demonstrate that DCSQE outperforms SOTA baselines like CometKiwi in both supervised and unsupervised settings. Further analysis offers insights into synthetic data generation that could benefit reward models for other tasks. The code is available at https://github.com/NJUNLP/njuqe.

  • 5 authors
·
Feb 27, 2025

Soft-Label Governance for Distributional Safety in Multi-Agent Systems

Multi-agent AI systems exhibit emergent risks that no single agent produces in isolation. Existing safety frameworks rely on binary classifications of agent behavior, discarding the uncertainty inherent in proxy-based evaluation. We introduce SWARM (System-Wide Assessment of Risk in Multi-agent systems), a simulation framework that replaces binary good/bad labels with soft probabilistic labels p = P(v{=}+1) in [0,1], enabling continuous-valued payoff computation, toxicity measurement, and governance intervention. SWARM implements a modular governance engine with configurable levers (transaction taxes, circuit breakers, reputation decay, and random audits) and quantifies their effects through probabilistic metrics including expected toxicity E[1{-}p mid accepted] and quality gap E[p mid accepted] - E[p mid rejected]. Across seven scenarios with five-seed replication, strict governance reduces welfare by over 40\% without improving safety. In parallel, aggressively internalizing system externalities collapses total welfare from a baseline of +262 down to -67, while toxicity remains invariant. Circuit breakers require careful calibration; overly restrictive thresholds severely diminish system value, whereas an optimal threshold balances moderate welfare with minimized toxicity. Companion experiments show soft metrics detect proxy gaming by self-optimizing agents passing conventional binary evaluations. This basic governance layer applies to live LLM-backed agents (Concordia entities, Claude, GPT-4o Mini) without modification. Results show distributional safety requires continuous risk metrics and governance lever calibration involves quantifiable safety-welfare tradeoffs. Source code and project resources are publicly available at https://www.swarm-ai.org/.

  • 2 authors
·
Mar 18

Behavior Knowledge Merge in Reinforced Agentic Models

Reinforcement learning (RL) is central to post-training, particularly for agentic models that require specialized reasoning behaviors. In this setting, model merging offers a practical mechanism for integrating multiple RL-trained agents from different tasks into a single generalist model. However, existing merging methods are designed for supervised fine-tuning (SFT), and they are suboptimal to preserve task-specific capabilities on RL-trained agentic models. The root is a task-vector mismatch between RL and SFT: on-policy RL induces task vectors that are highly sparse and heterogeneous, whereas SFT-style merging implicitly assumes dense and globally comparable task vectors. When standard global averaging is applied under this mismatch, RL's non-overlapping task vectors that encode critical task-specific behaviors are reduced and parameter updates are diluted. To address this issue, we propose Reinforced Agent Merging (RAM), a distribution-aware merging framework explicitly designed for RL-trained agentic models. RAM disentangles shared and task-specific unique parameter updates, averaging shared components while selectively preserving and rescaling unique ones to counteract parameter update dilution. Experiments across multiple agent domains and model architectures demonstrate that RAM not only surpasses merging baselines, but also unlocks synergistic potential among agents to achieve performance superior to that of specialized agents in their domains.

Better Language Model Inversion by Compactly Representing Next-Token Distributions

Language model inversion seeks to recover hidden prompts using only language model outputs. This capability has implications for security and accountability in language model deployments, such as leaking private information from an API-protected language model's system message. We propose a new method -- prompt inversion from logprob sequences (PILS) -- that recovers hidden prompts by gleaning clues from the model's next-token probabilities over the course of multiple generation steps. Our method is enabled by a key insight: The vector-valued outputs of a language model occupy a low-dimensional subspace. This enables us to losslessly compress the full next-token probability distribution over multiple generation steps using a linear map, allowing more output information to be used for inversion. Our approach yields massive gains over previous state-of-the-art methods for recovering hidden prompts, achieving 2--3.5 times higher exact recovery rates across test sets, in one case increasing the recovery rate from 17% to 60%. Our method also exhibits surprisingly good generalization behavior; for instance, an inverter trained on 16 generations steps gets 5--27 points higher prompt recovery when we increase the number of steps to 32 at test time. Furthermore, we demonstrate strong performance of our method on the more challenging task of recovering hidden system messages. We also analyze the role of verbatim repetition in prompt recovery and propose a new method for cross-family model transfer for logit-based inverters. Our findings show that next-token probabilities are a considerably more vulnerable attack surface for inversion attacks than previously known.

  • 5 authors
·
Jun 20, 2025 2

Is There a Better Source Distribution than Gaussian? Exploring Source Distributions for Image Flow Matching

Flow matching has emerged as a powerful generative modeling approach with flexible choices of source distribution. While Gaussian distributions are commonly used, the potential for better alternatives in high-dimensional data generation remains largely unexplored. In this paper, we propose a novel 2D simulation that captures high-dimensional geometric properties in an interpretable 2D setting, enabling us to analyze the learning dynamics of flow matching during training. Based on this analysis, we derive several key insights about flow matching behavior: (1) density approximation can paradoxically degrade performance due to mode discrepancy, (2) directional alignment suffers from path entanglement when overly concentrated, (3) Gaussian's omnidirectional coverage ensures robust learning, and (4) norm misalignment incurs substantial learning costs. Building on these insights, we propose a practical framework that combines norm-aligned training with directionally-pruned sampling. This approach maintains the robust omnidirectional supervision essential for stable flow learning, while eliminating initializations in data-sparse regions during inference. Importantly, our pruning strategy can be applied to any flow matching model trained with a Gaussian source, providing immediate performance gains without the need for retraining. Empirical evaluations demonstrate consistent improvements in both generation quality and sampling efficiency. Our findings provide practical insights and guidelines for source distribution design and introduce a readily applicable technique for improving existing flow matching models. Our code is available at https://github.com/kwanseokk/SourceFM.

  • 3 authors
·
Dec 19, 2025 1

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
·
Jun 4

Steady-State Behavior of Constant-Stepsize Stochastic Approximation: Gaussian Approximation and Tail Bounds

Constant-stepsize stochastic approximation (SA) is widely used in learning for computational efficiency. For a fixed stepsize, the iterates typically admit a stationary distribution that is rarely tractable. Prior work shows that as the stepsize αdownarrow 0, the centered-and-scaled steady state converges weakly to a Gaussian random vector. However, for fixed α, this weak convergence offers no usable error bound for approximating the steady-state by its Gaussian limit. This paper provides explicit, non-asymptotic error bounds for fixed α. We first prove general-purpose theorems that bound the Wasserstein distance between the centered-scaled steady state and an appropriate Gaussian distribution, under regularity conditions for drift and moment conditions for noise. To ensure broad applicability, we cover both i.i.d. and Markovian noise models. We then instantiate these theorems for three representative SA settings: (1) stochastic gradient descent (SGD) for smooth strongly convex objectives, (2) linear SA, and (3) contractive nonlinear SA. We obtain dimension- and stepsize-dependent, explicit bounds in Wasserstein distance of order α^{1/2}log(1/α) for small α. Building on the Wasserstein approximation error, we further derive non-uniform Berry--Esseen-type tail bounds that compare the steady-state tail probability to Gaussian tails. We achieve an explicit error term that decays in both the deviation level and stepsize α. We adapt the same analysis for SGD beyond strongly convexity and study general convex objectives. We identify a non-Gaussian (Gibbs) limiting law under the correct scaling, which is validated numerically, and provide a corresponding pre-limit Wasserstein error bound.

  • 6 authors
·
Feb 14

JailbreaksOverTime: Detecting Jailbreak Attacks Under Distribution Shift

Safety and security remain critical concerns in AI deployment. Despite safety training through reinforcement learning with human feedback (RLHF) [ 32], language models remain vulnerable to jailbreak attacks that bypass safety guardrails. Universal jailbreaks - prefixes that can circumvent alignment for any payload - are particularly concerning. We show empirically that jailbreak detection systems face distribution shift, with detectors trained at one point in time performing poorly against newer exploits. To study this problem, we release JailbreaksOverTime, a comprehensive dataset of timestamped real user interactions containing both benign requests and jailbreak attempts collected over 10 months. We propose a two-pronged method for defenders to detect new jailbreaks and continuously update their detectors. First, we show how to use continuous learning to detect jailbreaks and adapt rapidly to new emerging jailbreaks. While detectors trained at a single point in time eventually fail due to drift, we find that universal jailbreaks evolve slowly enough for self-training to be effective. Retraining our detection model weekly using its own labels - with no new human labels - reduces the false negative rate from 4% to 0.3% at a false positive rate of 0.1%. Second, we introduce an unsupervised active monitoring approach to identify novel jailbreaks. Rather than classifying inputs directly, we recognize jailbreaks by their behavior, specifically, their ability to trigger models to respond to known-harmful prompts. This approach has a higher false negative rate (4.1%) than supervised methods, but it successfully identified some out-of-distribution attacks that were missed by the continuous learning approach.

  • 10 authors
·
Apr 27, 2025

Online GNN Evaluation Under Test-time Graph Distribution Shifts

Evaluating the performance of a well-trained GNN model on real-world graphs is a pivotal step for reliable GNN online deployment and serving. Due to a lack of test node labels and unknown potential training-test graph data distribution shifts, conventional model evaluation encounters limitations in calculating performance metrics (e.g., test error) and measuring graph data-level discrepancies, particularly when the training graph used for developing GNNs remains unobserved during test time. In this paper, we study a new research problem, online GNN evaluation, which aims to provide valuable insights into the well-trained GNNs's ability to effectively generalize to real-world unlabeled graphs under the test-time graph distribution shifts. Concretely, we develop an effective learning behavior discrepancy score, dubbed LeBeD, to estimate the test-time generalization errors of well-trained GNN models. Through a novel GNN re-training strategy with a parameter-free optimality criterion, the proposed LeBeD comprehensively integrates learning behavior discrepancies from both node prediction and structure reconstruction perspectives. This enables the effective evaluation of the well-trained GNNs' ability to capture test node semantics and structural representations, making it an expressive metric for estimating the generalization error in online GNN evaluation. Extensive experiments on real-world test graphs under diverse graph distribution shifts could verify the effectiveness of the proposed method, revealing its strong correlation with ground-truth test errors on various well-trained GNN models.

  • 5 authors
·
Mar 14, 2024

Uncertainty-Aware Subset Selection for Robust Visual Explainability under Distribution Shifts

Subset selection-based methods are widely used to explain deep vision models: they attribute predictions by highlighting the most influential image regions and support object-level explanations. While these methods perform well in in-distribution (ID) settings, their behavior under out-of-distribution (OOD) conditions remains poorly understood. Through extensive experiments across multiple ID-OOD sets, we find that reliability of the existing subset based methods degrades markedly, yielding redundant, unstable, and uncertainty-sensitive explanations. To address these shortcomings, we introduce a framework that combines submodular subset selection with layer-wise, gradient-based uncertainty estimation to improve robustness and fidelity without requiring additional training or auxiliary models. Our approach estimates uncertainty via adaptive weight perturbations and uses these estimates to guide submodular optimization, ensuring diverse and informative subset selection. Empirical evaluations show that, beyond mitigating the weaknesses of existing methods under OOD scenarios, our framework also yields improvements in ID settings. These findings highlight limitations of current subset-based approaches and demonstrate how uncertainty-driven optimization can enhance attribution and object-level interpretability, paving the way for more transparent and trustworthy AI in real-world vision applications.

  • 3 authors
·
Dec 9, 2025

Mobility Anomaly Generation using LLM-Driven Behavior with Kinematic Constraints

Although the study of human trajectory anomalies is critical for advancing spatial data mining, empirical research remains severely hindered by a pervasive lack of ground-truth datasets. Despite the availability of several real-world and simulated human trajectory collections, these datasets exclusively capture normal mobility patterns and lack annotated anomalies. This specific scarcity is fundamentally driven by the inherent statistical rarity of anomalous events, precluding the feasibility of conventional observational methods. Compounding this challenge, the systematic acquisition of large-scale mobility data is strictly bottlenecked by prohibitive costs and stringent privacy regulations. To overcome these fundamental limitations and establish a reliable human trajectory anomalies dataset with annotated ground truth, we introduce a novel, end-to-end generative framework designed to synthesize realistic trajectory anomalies at scale. Our architecture bridges the gap between purely synthetic mobility data and complex real-world physical constraints by operating directly on baseline simulated trajectories. We employ Large Language Model (LLM) agents to systematically inject semantically meaningful behavioral anomalies such as irregular out-of-distribution check-ins and skipped routine visits. To ensure rigorous spatial validity, the system leverages map-constrained routing reconstruction to recalculate the physical transitions between these LLM agent-modified staypoints. Moreover, to narrow the simulation-to-reality gap, we augment the resulting trajectories with a context-aware spatial noise model, parameterized by environmental and location-specific variables, to accurately emulate heterogeneous GPS sensor degradation.

  • 3 authors
·
Jun 8

Robust Binding Energy Distribution Sampling on Amorphous Solid Water Models. Method testing and validation with NH3, CO and CH4

This work aims to develop a method based on a structurally reliable ice model and a statistically and physico-chemically robust approach for BE distribution inference, with the aim to be applicable to various relevant interstellar species. A multiscale computational approach is presented, with a Molecular Dynamics (MD) Heat & Quench protocol for the amorphous water ice model, and an ONIOM(B3LYP-D3(BJ)/6-311+G**:GFN2-xtb) scheme for the BE inference, with a prime emphasis onto the BE/real system size convergence. The sampling of the binding configurations is twofold, exploring both regularly spaced binding sites, as well as various adsorbate-to-substrate orientations on each locally distinct site. This second source of BE diversity accounts for the local roughness of the potential energy landscape of the substrate. Three different adsorbate test cases are considered, i.e. NH3, CO and CH4, owing to their significance in dust icy mantles, and their distinct binding behavior with water ices. The BE distributions for NH3, CO and CH4 have been inferred, with converged statistics. The distribution for NH3 is better represented by a double Gaussian component profile. Three starting adsorbate orientations per site are required to reach convergence for both Gaussian components of NH3, while 2 orientations are sufficient for CO, and one unique for CH4 (symmetric). Further geometrical and molecular surrounding insights have been provided. These results encompass previously reported results.

  • 4 authors
·
Apr 25, 2025

Human Texts Are Outliers: Detecting LLM-generated Texts via Out-of-distribution Detection

The rapid advancement of large language models (LLMs) such as ChatGPT, DeepSeek, and Claude has significantly increased the presence of AI-generated text in digital communication. This trend has heightened the need for reliable detection methods to distinguish between human-authored and machine-generated content. Existing approaches both zero-shot methods and supervised classifiers largely conceptualize this task as a binary classification problem, often leading to poor generalization across domains and models. In this paper, we argue that such a binary formulation fundamentally mischaracterizes the detection task by assuming a coherent representation of human-written texts. In reality, human texts do not constitute a unified distribution, and their diversity cannot be effectively captured through limited sampling. This causes previous classifiers to memorize observed OOD characteristics rather than learn the essence of `non-ID' behavior, limiting generalization to unseen human-authored inputs. Based on this observation, we propose reframing the detection task as an out-of-distribution (OOD) detection problem, treating human-written texts as distributional outliers while machine-generated texts are in-distribution (ID) samples. To this end, we develop a detection framework using one-class learning method including DeepSVDD and HRN, and score-based learning techniques such as energy-based method, enabling robust and generalizable performance. Extensive experiments across multiple datasets validate the effectiveness of our OOD-based approach. Specifically, the OOD-based method achieves 98.3% AUROC and AUPR with only 8.9% FPR95 on DeepFake dataset. Moreover, we test our detection framework on multilingual, attacked, and unseen-model and -domain text settings, demonstrating the robustness and generalizability of our framework. Code, pretrained weights, and demo will be released.

  • 9 authors
·
Oct 6, 2025

Learning on LLM Output Signatures for gray-box LLM Behavior Analysis

Large Language Models (LLMs) have achieved widespread adoption, yet our understanding of their behavior remains limited, particularly in detecting data contamination and hallucinations. While recently proposed probing techniques provide insights through activation analysis, they require "white-box" access to model internals, often unavailable. Current "gray-box" approaches typically analyze only the probability of the actual tokens in the sequence with simple task-specific heuristics. Importantly, these methods overlook the rich information contained in the full token distribution at each processing step. To address these limitations, we propose that gray-box analysis should leverage the complete observable output of LLMs, consisting of both the previously used token probabilities as well as the complete token distribution sequences - a unified data type we term LOS (LLM Output Signature). To this end, we develop a transformer-based approach to process LOS that theoretically guarantees approximation of existing techniques while enabling more nuanced analysis. Our approach achieves superior performance on hallucination and data contamination detection in gray-box settings, significantly outperforming existing baselines. Furthermore, it demonstrates strong transfer capabilities across datasets and LLMs, suggesting that LOS captures fundamental patterns in LLM behavior. Our code is available at: https://github.com/BarSGuy/LLM-Output-Signatures-Network.

  • 8 authors
·
Mar 18, 2025

Empirical study of Machine Learning Classifier Evaluation Metrics behavior in Massively Imbalanced and Noisy data

With growing credit card transaction volumes, the fraud percentages are also rising, including overhead costs for institutions to combat and compensate victims. The use of machine learning into the financial sector permits more effective protection against fraud and other economic crime. Suitably trained machine learning classifiers help proactive fraud detection, improving stakeholder trust and robustness against illicit transactions. However, the design of machine learning based fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data and the challenges of identifying the frauds accurately and completely to create a gold standard ground truth. Furthermore, there are no benchmarks or standard classifier evaluation metrics to measure and identify better performing classifiers, thus keeping researchers in the dark. In this work, we develop a theoretical foundation to model human annotation errors and extreme imbalance typical in real world fraud detection data sets. By conducting empirical experiments on a hypothetical classifier, with a synthetic data distribution approximated to a popular real world credit card fraud data set, we simulate human annotation errors and extreme imbalance to observe the behavior of popular machine learning classifier evaluation matrices. We demonstrate that a combined F1 score and g-mean, in that specific order, is the best evaluation metric for typical imbalanced fraud detection model classification.

  • 2 authors
·
Aug 25, 2022

Lumos: Increasing Awareness of Analytic Behavior during Visual Data Analysis

Visual data analysis tools provide people with the agency and flexibility to explore data using a variety of interactive functionalities. However, this flexibility may introduce potential consequences in situations where users unknowingly overemphasize or underemphasize specific subsets of the data or attribute space they are analyzing. For example, users may overemphasize specific attributes and/or their values (e.g., Gender is always encoded on the X axis), underemphasize others (e.g., Religion is never encoded), ignore a subset of the data (e.g., older people are filtered out), etc. In response, we present Lumos, a visual data analysis tool that captures and shows the interaction history with data to increase awareness of such analytic behaviors. Using in-situ (at the place of interaction) and ex-situ (in an external view) visualization techniques, Lumos provides real-time feedback to users for them to reflect on their activities. For example, Lumos highlights datapoints that have been previously examined in the same visualization (in-situ) and also overlays them on the underlying data distribution (i.e., baseline distribution) in a separate visualization (ex-situ). Through a user study with 24 participants, we investigate how Lumos helps users' data exploration and decision-making processes. We found that Lumos increases users' awareness of visual data analysis practices in real-time, promoting reflection upon and acknowledgement of their intentions and potentially influencing subsequent interactions.

  • 4 authors
·
Aug 5, 2021

Shop-R1: Rewarding LLMs to Simulate Human Behavior in Online Shopping via Reinforcement Learning

Large Language Models (LLMs) have recently demonstrated strong potential in generating 'believable human-like' behavior in web environments. Prior work has explored augmenting training data with LLM-synthesized rationales and applying supervised fine-tuning (SFT) to enhance reasoning ability, which in turn can improve downstream action prediction. However, the performance of such approaches remains inherently bounded by the reasoning capabilities of the model used to generate the rationales. In this paper, we introduce Shop-R1, a novel reinforcement learning (RL) framework aimed at enhancing the reasoning ability of LLMs for simulation of real human behavior in online shopping environments Specifically, Shop-R1 decomposes the human behavior simulation task into two stages: rationale generation and action prediction, each guided by distinct reward signals. For rationale generation, we leverage internal model signals (e.g., logit distributions) to guide the reasoning process in a self-supervised manner. For action prediction, we propose a hierarchical reward structure with difficulty-aware scaling to prevent reward hacking and enable fine-grained reward assignment. This design evaluates both high-level action types and the correctness of fine-grained sub-action details (attributes and values), rewarding outputs proportionally to their difficulty. Experimental results show that our method achieves a relative improvement of over 65% compared to the baseline.

  • 17 authors
·
Jul 23, 2025

Pushing on Personality Detection from Verbal Behavior: A Transformer Meets Text Contours of Psycholinguistic Features

Research at the intersection of personality psychology, computer science, and linguistics has recently focused increasingly on modeling and predicting personality from language use. We report two major improvements in predicting personality traits from text data: (1) to our knowledge, the most comprehensive set of theory-based psycholinguistic features and (2) hybrid models that integrate a pre-trained Transformer Language Model BERT and Bidirectional Long Short-Term Memory (BLSTM) networks trained on within-text distributions ('text contours') of psycholinguistic features. We experiment with BLSTM models (with and without Attention) and with two techniques for applying pre-trained language representations from the transformer model - 'feature-based' and 'fine-tuning'. We evaluate the performance of the models we built on two benchmark datasets that target the two dominant theoretical models of personality: the Big Five Essay dataset and the MBTI Kaggle dataset. Our results are encouraging as our models outperform existing work on the same datasets. More specifically, our models achieve improvement in classification accuracy by 2.9% on the Essay dataset and 8.28% on the Kaggle MBTI dataset. In addition, we perform ablation experiments to quantify the impact of different categories of psycholinguistic features in the respective personality prediction models.

  • 4 authors
·
Apr 10, 2022

A Systematic Study of Data Modalities and Strategies for Co-training Large Behavior Models for Robot Manipulation

Large behavior models have shown strong dexterous manipulation capabilities by extending imitation learning to large-scale training on multi-task robot data, yet their generalization remains limited by the insufficient robot data coverage. To expand this coverage without costly additional data collection, recent work relies on co-training: jointly learning from target robot data and heterogeneous data modalities. However, how different co-training data modalities and strategies affect policy performance remains poorly understood. We present a large-scale empirical study examining five co-training data modalities: standard vision-language data, dense language annotations for robot trajectories, cross-embodiment robot data, human videos, and discrete robot action tokens across single- and multi-phase training strategies. Our study leverages 4,000 hours of robot and human manipulation data and 50M vision-language samples to train vision-language-action policies. We evaluate 89 policies over 58,000 simulation rollouts and 2,835 real-world rollouts. Our results show that co-training with forms of vision-language and cross-embodiment robot data substantially improves generalization to distribution shifts, unseen tasks, and language following, while discrete action token variants yield no significant benefits. Combining effective modalities produces cumulative gains and enables rapid adaptation to unseen long-horizon dexterous tasks via fine-tuning. Training exclusively on robot data degrades the visiolinguistic understanding of the vision-language model backbone, while co-training with effective modalities restores these capabilities. Explicitly conditioning action generation on chain-of-thought traces learned from co-training data does not improve performance in our simulation benchmark. Together, these results provide practical guidance for building scalable generalist robot policies.

  • 12 authors
·
Jan 31

Manifold Steering Reveals the Shared Geometry of Neural Network Representation and Behavior

Neural representations carry rich geometric structure; but does that structure causally shape behavior? To address this question, we intervene along paths through activation space defined by different geometries, and measure the behavioral trajectories they induce. In particular, we test whether interventions that respect the geometry of activation space will yield behaviors close to those the model exhibits naturally. Concretely, we first fit an activation manifold M_h to representations and a behavior manifold M_y to output probability distributions. We then test the link M_h leftrightarrow M_y via interventions: we find that steering along M_h, which we term manifold steering, yields behavioral trajectories that follow M_y, while linear steering -- which assumes a Euclidean geometry -- cuts through off-manifold regions and hence produces unnatural outputs. Moreover, optimizing interventions in activation space to produce paths along M_y recovers activation trajectories that trace the curvature of M_h. We demonstrate this bidirectional relationship between the geometry of representation and behavior across tasks and modalities. In language models, we use reasoning tasks with cyclic and sequential geometries as well as in-context learning tasks with more complex graph geometries. In a video world model, we use a task with geometry corresponding to physical dynamics. Overall, our work shows that geometry in neural representation is not merely incidental, but is in fact the proper object for enabling principled control via intervention on internals. This recasts the core problem of steering from finding the right direction to finding the right geometry.

  • 16 authors
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May 5

Case-Grounded Evidence Verification: A Framework for Constructing Evidence-Sensitive Supervision

Evidence-grounded reasoning requires more than attaching retrieved text to a prediction: a model should make decisions that depend on whether the provided evidence supports the target claim. In practice, this often fails because supervision is weak, evidence is only loosely tied to the claim, and evaluation does not test evidence dependence directly. We introduce case-grounded evidence verification, a general framework in which a model receives a local case context, external evidence, and a structured claim, and must decide whether the evidence supports the claim for that case. Our key contribution is a supervision construction procedure that generates explicit support examples together with semantically controlled non-support examples, including counterfactual wrong-state and topic-related negatives, without manual evidence annotation. We instantiate the framework in radiology and train a standard verifier on the resulting support task. The learned verifier substantially outperforms both case-only and evidence-only baselines, remains strong under correct evidence, and collapses when evidence is removed or swapped, indicating genuine evidence dependence. This behavior transfers across unseen evidence articles and an external case distribution, though performance degrades under evidence-source shift and remains sensitive to backbone choice. Overall, the results suggest that a major bottleneck in evidence grounding is not only model capacity, but the lack of supervision that encodes the causal role of evidence.

  • 5 authors
·
Apr 9

Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models

Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data are available at https://github.com/yuleiqin/RAIF.

tencent Tencent
·
Jun 2, 2025 2

Failure Prediction at Runtime for Generative Robot Policies

Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Early failure prediction during runtime is therefore essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-of-distribution (OOD) observations detected via random network distillation in the policy's embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score. Both failure prediction scores are calibrated using a small set of successful rollouts via conformal prediction. A failure alarm is triggered when both indicators, aggregated over short time windows, exceed their thresholds. We evaluate FIPER across five simulation and real-world environments involving diverse failure modes. Our results demonstrate that FIPER better distinguishes actual failures from benign OOD situations and predicts failures more accurately and earlier than existing methods. We thus consider this work an important step towards more interpretable and safer generative robot policies. Code, data and videos are available at https://tum-lsy.github.io/fiper_website.

  • 4 authors
·
Oct 10, 2025

A User-Friendly Framework for Generating Model-Preferred Prompts in Text-to-Image Synthesis

Well-designed prompts have demonstrated the potential to guide text-to-image models in generating amazing images. Although existing prompt engineering methods can provide high-level guidance, it is challenging for novice users to achieve the desired results by manually entering prompts due to a discrepancy between novice-user-input prompts and the model-preferred prompts. To bridge the distribution gap between user input behavior and model training datasets, we first construct a novel Coarse-Fine Granularity Prompts dataset (CFP) and propose a novel User-Friendly Fine-Grained Text Generation framework (UF-FGTG) for automated prompt optimization. For CFP, we construct a novel dataset for text-to-image tasks that combines coarse and fine-grained prompts to facilitate the development of automated prompt generation methods. For UF-FGTG, we propose a novel framework that automatically translates user-input prompts into model-preferred prompts. Specifically, we propose a prompt refiner that continually rewrites prompts to empower users to select results that align with their unique needs. Meanwhile, we integrate image-related loss functions from the text-to-image model into the training process of text generation to generate model-preferred prompts. Additionally, we propose an adaptive feature extraction module to ensure diversity in the generated results. Experiments demonstrate that our approach is capable of generating more visually appealing and diverse images than previous state-of-the-art methods, achieving an average improvement of 5% across six quality and aesthetic metrics.

  • 6 authors
·
Feb 20, 2024

Policy Regularization with Dataset Constraint for Offline Reinforcement Learning

We consider the problem of learning the best possible policy from a fixed dataset, known as offline Reinforcement Learning (RL). A common taxonomy of existing offline RL works is policy regularization, which typically constrains the learned policy by distribution or support of the behavior policy. However, distribution and support constraints are overly conservative since they both force the policy to choose similar actions as the behavior policy when considering particular states. It will limit the learned policy's performance, especially when the behavior policy is sub-optimal. In this paper, we find that regularizing the policy towards the nearest state-action pair can be more effective and thus propose Policy Regularization with Dataset Constraint (PRDC). When updating the policy in a given state, PRDC searches the entire dataset for the nearest state-action sample and then restricts the policy with the action of this sample. Unlike previous works, PRDC can guide the policy with proper behaviors from the dataset, allowing it to choose actions that do not appear in the dataset along with the given state. It is a softer constraint but still keeps enough conservatism from out-of-distribution actions. Empirical evidence and theoretical analysis show that PRDC can alleviate offline RL's fundamentally challenging value overestimation issue with a bounded performance gap. Moreover, on a set of locomotion and navigation tasks, PRDC achieves state-of-the-art performance compared with existing methods. Code is available at https://github.com/LAMDA-RL/PRDC

  • 5 authors
·
Jun 10, 2023

GUI-G$^2$: Gaussian Reward Modeling for GUI Grounding

Graphical User Interface (GUI) grounding maps natural language instructions to precise interface locations for autonomous interaction. Current reinforcement learning approaches use binary rewards that treat elements as hit-or-miss targets, creating sparse signals that ignore the continuous nature of spatial interactions. Motivated by human clicking behavior that naturally forms Gaussian distributions centered on target elements, we introduce GUI Gaussian Grounding Rewards (GUI-G^2), a principled reward framework that models GUI elements as continuous Gaussian distributions across the interface plane. GUI-G^2 incorporates two synergistic mechanisms: Gaussian point rewards model precise localization through exponentially decaying distributions centered on element centroids, while coverage rewards assess spatial alignment by measuring the overlap between predicted Gaussian distributions and target regions. To handle diverse element scales, we develop an adaptive variance mechanism that calibrates reward distributions based on element dimensions. This framework transforms GUI grounding from sparse binary classification to dense continuous optimization, where Gaussian distributions generate rich gradient signals that guide models toward optimal interaction positions. Extensive experiments across ScreenSpot, ScreenSpot-v2, and ScreenSpot-Pro benchmarks demonstrate that GUI-G^2, substantially outperforms state-of-the-art method UI-TARS-72B, with the most significant improvement of 24.7% on ScreenSpot-Pro. Our analysis reveals that continuous modeling provides superior robustness to interface variations and enhanced generalization to unseen layouts, establishing a new paradigm for spatial reasoning in GUI interaction tasks.

  • 12 authors
·
Jul 21, 2025 7

Zero Day Malware Detection with Alpha: Fast DBI with Transformer Models for Real World Application

The effectiveness of an AI model in accurately classifying novel malware hinges on the quality of the features it is trained on, which in turn depends on the effectiveness of the analysis tool used. Peekaboo, a Dynamic Binary Instrumentation (DBI) tool, defeats malware evasion techniques to capture authentic behavior at the Assembly (ASM) instruction level. This behavior exhibits patterns consistent with Zipf's law, a distribution commonly seen in natural languages, making Transformer models particularly effective for binary classification tasks. We introduce Alpha, a framework for zero day malware detection that leverages Transformer models and ASM language. Alpha is trained on malware and benign software data collected through Peekaboo, enabling it to identify entirely new samples with exceptional accuracy. Alpha eliminates any common functions from the test samples that are in the training dataset. This forces the model to rely on contextual patterns and novel ASM instruction combinations to detect malicious behavior, rather than memorizing familiar features. By combining the strengths of DBI, ASM analysis, and Transformer architectures, Alpha offers a powerful approach to proactively addressing the evolving threat of malware. Alpha demonstrates perfect accuracy for Ransomware, Worms and APTs with flawless classification for both malicious and benign samples. The results highlight the model's exceptional performance in detecting truly new malware samples.

  • 3 authors
·
Apr 21, 2025

How Far is Video Generation from World Model: A Physical Law Perspective

OpenAI's Sora highlights the potential of video generation for developing world models that adhere to fundamental physical laws. However, the ability of video generation models to discover such laws purely from visual data without human priors can be questioned. A world model learning the true law should give predictions robust to nuances and correctly extrapolate on unseen scenarios. In this work, we evaluate across three key scenarios: in-distribution, out-of-distribution, and combinatorial generalization. We developed a 2D simulation testbed for object movement and collisions to generate videos deterministically governed by one or more classical mechanics laws. This provides an unlimited supply of data for large-scale experimentation and enables quantitative evaluation of whether the generated videos adhere to physical laws. We trained diffusion-based video generation models to predict object movements based on initial frames. Our scaling experiments show perfect generalization within the distribution, measurable scaling behavior for combinatorial generalization, but failure in out-of-distribution scenarios. Further experiments reveal two key insights about the generalization mechanisms of these models: (1) the models fail to abstract general physical rules and instead exhibit "case-based" generalization behavior, i.e., mimicking the closest training example; (2) when generalizing to new cases, models are observed to prioritize different factors when referencing training data: color > size > velocity > shape. Our study suggests that scaling alone is insufficient for video generation models to uncover fundamental physical laws, despite its role in Sora's broader success. See our project page at https://phyworld.github.io

  • 8 authors
·
Nov 4, 2024 2

CDSA: Conservative Denoising Score-based Algorithm for Offline Reinforcement Learning

Distribution shift is a major obstacle in offline reinforcement learning, which necessitates minimizing the discrepancy between the learned policy and the behavior policy to avoid overestimating rare or unseen actions. Previous conservative offline RL algorithms struggle to generalize to unseen actions, despite their success in learning good in-distribution policy. In contrast, we propose to use the gradient fields of the dataset density generated from a pre-trained offline RL algorithm to adjust the original actions. We decouple the conservatism constraints from the policy, thus can benefit wide offline RL algorithms. As a consequence, we propose the Conservative Denoising Score-based Algorithm (CDSA) which utilizes the denoising score-based model to model the gradient of the dataset density, rather than the dataset density itself, and facilitates a more accurate and efficient method to adjust the action generated by the pre-trained policy in a deterministic and continuous MDP environment. In experiments, we show that our approach significantly improves the performance of baseline algorithms in D4RL datasets, and demonstrate the generalizability and plug-and-play capability of our model across different pre-trained offline RL policy in different tasks. We also validate that the agent exhibits greater risk aversion after employing our method while showcasing its ability to generalize effectively across diverse tasks.

  • 3 authors
·
Jun 11, 2024

LLM Ghostbusters: Surgical Hallucination Suppression via Adaptive Unlearning

Hallucinations, outputs that sound plausible but are factually incorrect, remain an open challenge for deployed LLMs. In code generation, models frequently hallucinate non-existent software packages, recommending imports and installation commands for fictional libraries. This creates a critical supply-chain vulnerability: an attacker can proactively register such packages on public registries with malicious payloads that are subsequently installed and executed by developers or autonomous agents, a class of package confusion attack known as slopsquatting. Once a model is deployed, mitigating this failure mode is difficult: full retraining is costly, and existing approaches either cause severe degradation of model utility or rely on a pre-specified forget-set, an assumption that does not apply to the unbounded space of hallucinations. To address this problem, we present Adaptive Unlearning (AU), a post-deployment framework that surgically suppresses hallucinations while preserving general model utility. AU introduces a hybrid token-level objective that simultaneously reinforces valid outputs and suppresses hallucinated ones. Combined with an adaptive discovery loop that continuously surfaces new hallucination-inducing contexts without human supervision, AU enables generalization to unseen prompts and hallucinations. We demonstrate that AU reduces package hallucination rates by 81%, corresponding to a substantial reduction in slopsquatting attack surface, while maintaining performance on standard coding benchmarks. Our analysis shows that distributional changes are concentrated on package-related generations, leaving general coding behavior largely unaffected and confirming that AU's effect is isolated to the targeted distribution. AU operates entirely on model-generated data, requires no human annotation, and generalizes across domains.

  • 4 authors
·
Apr 30

Living Capillary Bridges

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.

  • 8 authors
·
Oct 16, 2025

Meta Reinforcement Learning with Finite Training Tasks -- a Density Estimation Approach

In meta reinforcement learning (meta RL), an agent learns from a set of training tasks how to quickly solve a new task, drawn from the same task distribution. The optimal meta RL policy, a.k.a. the Bayes-optimal behavior, is well defined, and guarantees optimal reward in expectation, taken with respect to the task distribution. The question we explore in this work is how many training tasks are required to guarantee approximately optimal behavior with high probability. Recent work provided the first such PAC analysis for a model-free setting, where a history-dependent policy was learned from the training tasks. In this work, we propose a different approach: directly learn the task distribution, using density estimation techniques, and then train a policy on the learned task distribution. We show that our approach leads to bounds that depend on the dimension of the task distribution. In particular, in settings where the task distribution lies in a low-dimensional manifold, we extend our analysis to use dimensionality reduction techniques and account for such structure, obtaining significantly better bounds than previous work, which strictly depend on the number of states and actions. The key of our approach is the regularization implied by the kernel density estimation method. We further demonstrate that this regularization is useful in practice, when `plugged in' the state-of-the-art VariBAD meta RL algorithm.

  • 3 authors
·
Mar 27, 2024

Does CLIP Benefit Visual Question Answering in the Medical Domain as Much as it Does in the General Domain?

Contrastive Language--Image Pre-training (CLIP) has shown remarkable success in learning with cross-modal supervision from extensive amounts of image--text pairs collected online. Thus far, the effectiveness of CLIP has been investigated primarily in general-domain multimodal problems. This work evaluates the effectiveness of CLIP for the task of Medical Visual Question Answering (MedVQA). To this end, we present PubMedCLIP, a fine-tuned version of CLIP for the medical domain based on PubMed articles. Our experiments are conducted on two MedVQA benchmark datasets and investigate two MedVQA methods, MEVF (Mixture of Enhanced Visual Features) and QCR (Question answering via Conditional Reasoning). For each of these, we assess the merits of visual representation learning using PubMedCLIP, the original CLIP, and state-of-the-art MAML (Model-Agnostic Meta-Learning) networks pre-trained only on visual data. We open source the code for our MedVQA pipeline and pre-training PubMedCLIP. CLIP and PubMedCLIP achieve improvements in comparison to MAML's visual encoder. PubMedCLIP achieves the best results with gains in the overall accuracy of up to 3%. Individual examples illustrate the strengths of PubMedCLIP in comparison to the previously widely used MAML networks. Visual representation learning with language supervision in PubMedCLIP leads to noticeable improvements for MedVQA. Our experiments reveal distributional differences in the two MedVQA benchmark datasets that have not been imparted in previous work and cause different back-end visual encoders in PubMedCLIP to exhibit different behavior on these datasets. Moreover, we witness fundamental performance differences of VQA in general versus medical domains.

  • 3 authors
·
Dec 27, 2021

WPN: An Unlearning Method Based on N-pair Contrastive Learning in Language Models

Generative language models (LMs) offer numerous advantages but may produce inappropriate or harmful outputs due to the harmful knowledge acquired during pre-training. This knowledge often manifests as undesirable correspondences, such as "harmful prompts" leading to "harmful outputs," which our research aims to mitigate through unlearning techniques.However, existing unlearning methods based on gradient ascent can significantly impair the performance of LMs. To address this issue, we propose a novel approach called Weighted Positional N-pair (WPN) Learning, which leverages position-weighted mean pooling within an n-pair contrastive learning framework. WPN is designed to modify the output distribution of LMs by eliminating specific harmful outputs (e.g., replacing toxic responses with neutral ones), thereby transforming the model's behavior from "harmful prompt-harmful output" to "harmful prompt-harmless response".Experiments on OPT and GPT-NEO LMs show that WPN effectively reduces the proportion of harmful responses, achieving a harmless rate of up to 95.8\% while maintaining stable performance on nine common benchmarks (with less than 2\% degradation on average). Moreover, we provide empirical evidence to demonstrate WPN's ability to weaken the harmful correspondences in terms of generalizability and robustness, as evaluated on out-of-distribution test sets and under adversarial attacks.

  • 4 authors
·
Aug 17, 2024

Motion simulation of radio-labeled cells in whole-body positron emission tomography

Cell tracking is a subject of active research gathering great interest in medicine and biology. Positron emission tomography (PET) is well suited for tracking radio-labeled cells in vivo due to its exceptional sensitivity and whole-body capability. For validation, ground-truth data are desirable that realistically mimic the flow of cells in a clinical situation. This study develops a workflow (CeFloPS) for simulating moving radio-labeled cells in a human phantom. From the XCAT phantom, the blood vessels are reduced to nodal networks along which cells can move and distribute to organs and tissues. The movement is directed by the blood flow, which is calculated in each node using the Hagen-Pooiseuille equation and Kirchhoff's laws assuming laminar flow. Organs are voxelized and movement of cells from artery entry to vein exit is generated via a biased 3D random walk. The probabilities of cells moving or remaining in tissues are derived from rate constants of tracer kinetic-based compartment modeling. PET listmode data is generated using the Monte-Carlo simulation framework GATE based on the definition of a large-body PET scanner with cell paths as moving radioactive sources and the XCAT phantom providing attenuation data. From the flow simulation of 100,000 cells, 100 sample cells were further processed by GATE and listmode data was reconstructed into images for comparison. As demonstrated by comparisons of simulated and reconstructed cell distributions, CeFloPS is capable of simulating cell behavior in whole-body PET. It achieves this simulation in a way that is anatomically and physiologically reasonable, thereby providing valuable data for the development and validation of cell tracking algorithms.

  • 5 authors
·
Jul 10, 2024

Stochastic Actor-Critic: Mitigating Overestimation via Temporal Aleatoric Uncertainty

Off-policy actor-critic methods in reinforcement learning train a critic with temporal-difference updates and use it as a learning signal for the policy (actor). This design typically achieves higher sample efficiency than purely on-policy methods. However, critic networks tend to overestimate value estimates systematically. This is often addressed by introducing a pessimistic bias based on uncertainty estimates. Current methods employ ensembling to quantify the critic's epistemic uncertainty-uncertainty due to limited data and model ambiguity-to scale pessimistic updates. In this work, we propose a new algorithm called Stochastic Actor-Critic (STAC) that incorporates temporal (one-step) aleatoric uncertainty-uncertainty arising from stochastic transitions, rewards, and policy-induced variability in Bellman targets-to scale pessimistic bias in temporal-difference updates, rather than relying on epistemic uncertainty. STAC uses a single distributional critic network to model the temporal return uncertainty, and applies dropout to both the critic and actor networks for regularization. Our results show that pessimism based on a distributional critic alone suffices to mitigate overestimation, and naturally leads to risk-averse behavior in stochastic environments. Introducing dropout further improves training stability and performance by means of regularization. With this design, STAC achieves improved computational efficiency using a single distributional critic network.

  • 1 authors
·
Jan 2

Instruction Following without Instruction Tuning

Instruction tuning commonly means finetuning a language model on instruction-response pairs. We discover two forms of adaptation (tuning) that are deficient compared to instruction tuning, yet still yield instruction following; we call this implicit instruction tuning. We first find that instruction-response pairs are not necessary: training solely on responses, without any corresponding instructions, yields instruction following. This suggests pretrained models have an instruction-response mapping which is revealed by teaching the model the desired distribution of responses. However, we then find it's not necessary to teach the desired distribution of responses: instruction-response training on narrow-domain data like poetry still leads to broad instruction-following behavior like recipe generation. In particular, when instructions are very different from those in the narrow finetuning domain, models' responses do not adhere to the style of the finetuning domain. To begin to explain implicit instruction tuning, we hypothesize that very simple changes to a language model's distribution yield instruction following. We support this by hand-writing a rule-based language model which yields instruction following in a product-of-experts with a pretrained model. The rules are to slowly increase the probability of ending the sequence, penalize repetition, and uniformly change 15 words' probabilities. In summary, adaptations made without being designed to yield instruction following can do so implicitly.

  • 4 authors
·
Sep 21, 2024 4

Contrastive Attraction and Contrastive Repulsion for Representation Learning

Contrastive learning (CL) methods effectively learn data representations in a self-supervision manner, where the encoder contrasts each positive sample over multiple negative samples via a one-vs-many softmax cross-entropy loss. By leveraging large amounts of unlabeled image data, recent CL methods have achieved promising results when pretrained on large-scale datasets, such as ImageNet. However, most of them consider the augmented views from the same instance are positive pairs, while views from other instances are negative ones. Such binary partition insufficiently considers the relation between samples and tends to yield worse performance when generalized on images in the wild. In this paper, to further improve the performance of CL and enhance its robustness on various datasets, {we propose a doubly CL strategy that separately compares positive and negative samples within their own groups, and then proceeds with a contrast between positive and negative groups}. We realize this strategy with contrastive attraction and contrastive repulsion (CACR), which makes the query not only exert a greater force to attract more distant positive samples but also do so to repel closer negative samples. Theoretical analysis reveals that CACR generalizes CL's behavior by positive attraction and negative repulsion, and it further considers the intra-contrastive relation within the positive and negative pairs to narrow the gap between the sampled and true distribution, which is important when datasets are less curated. With our extensive experiments, CACR not only demonstrates good performance on CL benchmarks, but also shows better robustness when generalized on imbalanced image datasets. Code and pre-trained checkpoints are available at https://github.com/JegZheng/CACR-SSL.

  • 10 authors
·
May 8, 2021

Calibrating LLMs with Semantic-level Reward

As large language models (LLMs) are deployed in consequential settings such as medical question answering and legal reasoning, the ability to estimate when their outputs are likely to be correct is essential for safe and reliable use, requiring well-calibrated uncertainty. Standard reinforcement learning with verifiable rewards (RLVR) trains models with a binary correctness reward that is indifferent to confidence, providing no penalty for confident but wrong predictions and thereby degrading calibration. Recent work addresses this by training models to produce verbalized confidence scores alongside answers and rewarding agreement with correctness. However, verbalized confidence is calibrated at the token level and thus exhibits inconsistency across textual variations with same semantic meaning. We propose Calibration with Semantic Reward (CSR), a framework that calibrates language models directly in semantic space without a verbalized confidence interface. CSR combines the correctness reward with a novel semantic calibration reward that encourages exploitation among correct rollouts by promoting semantic agreement, and exploration among incorrect ones by discouraging spurious consistency. Experiments across three model families on HotpotQA (in-distribution) and TriviaQA, MSMARCO, and NQ-Open (out-of-distribution) show that CSR consistently achieves lower ECE and higher AUROC than verbalized-confidence baselines across nearly all settings, reducing ECE by up to 40% and improving AUROC by up to 31% over verbalized-confidence baselines, with calibration behavior generalizing robustly across all four evaluation settings.

  • 5 authors
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May 19

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