arXiv:2605.29018v1 Announce Type: new
Abstract: Although a growing body of research has begun to describe user--LLM interactions, the picture it paints is largely static; little is known about how individual users change their behavior over time. To address this gap, we analyze the conversational trajectories of $\sim$12,000 randomly sampled Microsoft Bing Copilot users and compare these with data from WildChat-4.8M. While the Copilot data contains significant population-level trends, we find that trends in individual user trajectories are much weaker; user habits prove to be overwhelmingly sticky. We also find stark differences between users of different activity levels: more active users have more successful conversations and use the LLM for more complex and professionally oriented tasks. Some user trends also appear in WildChat-4.8M, but we find evidence that this dataset is significantly skewed towards highly proficient "power" users. Ultimately, our results suggest that existing user behavior is difficult to change and demonstrate the extent of user heterogeneity. Our comparison between datasets highlights that WildChat does not represent typical user-AI interactions, an important caveat for downstream uses of the data.
Science Journals
arXiv:2605.28899v1 Announce Type: new
Abstract: Artificial Intelligence has achieved remarkable success across diverse application domains. However, its vulnerability to adversarial attacks poses significant challenges to reliability, security, and trustworthiness. Adversarial machine learning demonstrates that even highly accurate models can be manipulated through carefully crafted perturbations, raising serious concerns in safety critical systems such as healthcare, finance, and autonomous technologies. In parallel, quantum computing has emerged as a transformative paradigm capable of addressing complex computational problems through principles such as superposition, entanglement, and quantum interference. The convergence of these fields has led to the emergence of quantum artificial intelligence, which explores how quantum techniques can enhance learning efficiency, scalability, and robustness. This chapter provides a comprehensive overview of adversarial machine learning and existing defense strategies, followed by an accessible introduction to quantum computing and quantum machine learning models. It further presents conceptual frameworks for quantum-enhanced adversarial robustness, emphasizing quantum optimization, feature mapping, and hybrid quantum classical architectures. Practical applications, key challenges, and future research directions are also discussed to support the development of secure and trustworthy AI systems.
arXiv:2605.28488v2 Announce Type: replace-cross
Abstract: We study inference in stochastic block models (SBMs) through the lens of optimal transport (OT). We first establish that maximum likelihood variational inference (MLVI) can be interpreted as a semi-relaxed Gromov-Wasserstein (srGW) projection with entropic regularization. While this formulation yields accurate clustering, the entropic regularization prevents transport plans to be sparse, hindering intrinsic model selection. Consequently, we investigate unregularized srGW estimators, and prove that they consistently recover both the SBM connectivity matrix and latent cluster assignments in the asymptotic regime. However, this asymptotic property does not translate into reliable model selection in finite samples, and calls for additional mechanisms to promote sparsity in the inferred cluster proportions. We empirically show that such a regularized formulation yields estimators that simultaneously recover model parameters and select the number of clusters in a single optimization problem, thereby avoiding costly grid search or heuristic model selection procedures.
arXiv:2605.29334v1 Announce Type: new
Abstract: This work presents a weighted quadrature (WQ) method to fast assemble Galerkin matrices based on unstructured spline surfaces. The method is developed upon a particular variant of unstructured splines, namely the bicubic analysis-suitable unstructured T-splines (ASUTS). While existing WQ approaches have significant speedup for structured splines (e.g., B-splines), their extension to unstructured splines faces several challenges: (1) lack of a global parametric domain for defining quadrature points, (2) a varying number of basis functions across elements that complicates the determination of the optimal number of quadrature points, and (3) ill-conditioned underdetermined linear systems that must be solved to find the quadrature weights. To solve these issues, we first define the WQ rule directly in the physical domain. Second, we specify the number of quadrature points function-wise (rather than element-wise), which naturally satisfies the well-posedness condition, namely the number of unknown weights no less than that of exactness constraints. Third, we employ the truncated Singular Value Decomposition to improve the conditioning of the underdetermined systems by discarding extremely small singular values, which are caused by the splines around extraordinary points. Several different model problems are studied, such as Poisson's problem, the biharmonic problem, and the nonlinear heat transfer problem. In the end, a variety of numerical tests are performed to demonstrate the accuracy and efficiency of the proposed method.
arXiv:2605.29339v1 Announce Type: new
Abstract: With the rapid advancement of multimodal large language models (MLLMs), models have demonstrated increasingly powerful multimodal capabilities. However, whether MLLMs trained through statistical learning can truly understand the causal relationships underlying the real world remains a key research question. In recent years, numerous multimodal causal reasoning datasets have been proposed. Nevertheless, these datasets are either limited in scale or constructed from synthetic images and videos, cartoon-based content, or other non-realistic multimodal sources. To address these limitations, we collect real-world videos and construct DMC-CF-Static, a large-scale benchmark for multimodal causal counterfactual reasoning. Furthermore, to mitigate issues such as data contamination in traditional static evaluation, we represent causal events using causal graphs and propose the Dynamic Graph Intervention (DGI) framework to build the dynamic evaluation benchmark DMC-CF-Dynamic from DMC-CF-Static. Experimental results on the overall DMC-CF, which includes both static and dynamic evaluation benchmarks, demonstrate that the multimodal causal reasoning capabilities of current multimodal large language models in real-world scenarios still require substantial improvement.
arXiv:2605.29350v1 Announce Type: new
Abstract: Mixture-of-Experts (MoE) language models reduce per-token computation but still require storing and serving all experts, making deployment memory-intensive. Existing post-training compression methods mainly shrink this cost by pruning experts or merging their weights. We formulate post-training MoE compression as expert-pool consolidation: retaining a smaller set of pretrained experts as reusable prototypes and deterministically remapping each original expert reference to one selected prototype. This view separates the reduced expert pool from the reuse structure that represents the original expert slots, and allows prototype sharing within local layer scopes while preserving the original router interface. We propose ConMoE, a train-free prototype remapping framework that selects retained experts using calibration-based contribution and replaceability signals, then redirects original expert calls to the selected prototypes without weight updates or post-compression fine-tuning. Experiments on three pretrained MoE language models show that ConMoE matches or outperforms strong pruning and merging baselines in several settings, achieving the best average score on deepseek-moe-16b-base at both 25% and 50% routed-expert reduction, while remaining competitive on Qwen3-30B-A3B and OLMoE-1B-7B-0125. Ablations indicate that deterministic reassignment is the most stable component, whereas broader cross-layer sharing and post-hoc weight fusion are model-dependent.
arXiv:2605.29351v1 Announce Type: new
Abstract: We study minimal attention-only transformers under all-token corruption and show they admit a two-stage empirical Bayes interpretation. A single attention step computes a kernel-weighted posterior mean with respect to the empirical distribution defined by the context. Depth refines this distribution through particle dynamics (Stage 1), while a long-range skip-connection carries the noisy input as a query for posterior inference (Stage 2), revealing distinct statistical roles for depth and attention residuals. The framework isolates a minimal setting in which the context itself induces a depth-dependent energy landscape governing in-context inference. We show that effective denoising can emerge without an explicit noise schedule: a fixed kernel bandwidth and finite integration horizon suffice, yielding a principled depth-noise relationship. We further establish a posterior-mean recovery guarantee for a class of well-behaved priors, where the empirical estimator converges to the Bayes-optimal predictor under asymptotic conditions. Connecting these dynamics to reverse-diffusion limits, our results provide a statistical interpretation of attention as in-context inference via sample-based posterior estimation, without explicit density modeling.
arXiv:2605.29353v1 Announce Type: new
Abstract: The proliferation of AI-generated synthetic media poses a critical threat to the integrity of digital evidence in legal and forensic contexts. Existing deepfake detection systems typically address a single modality and provide no mechanism for tamper-proof evidence preservation. We present DeepFake Forensics AI, a unified platform that detects synthetic media across image, video, and audio modalities, identifies generative architecture fingerprints, and anchors forensic evidence immutably on the Ethereum blockchain. Our system trains four independent neural networks from scratch: an EfficientNet-B4 image detector (AUC = 0.9868), a Bidirectional LSTM video detector (AUC= 0.9628), an ECAPA-TDNN audio detector (EER = 18.63%), and a novel GAN fingerprinting module (accuracy = 99.88%) that identifies the generative architecture behind a fake image. Evidence files are hashed with SHA-256, stored on IPFS via Pinata, and registered on-chain via a Solidity smart contract with role-based access control. The platform provides a React frontend and FastAPI backend suitable for deployment in forensic and legal workflows. To our knowledge, this is the first system to unify multi-modal deepfake detection with blockchain-based chain-of custody management.
arXiv:2605.29354v1 Announce Type: new
Abstract: LLM-powered coding agents increasingly participate in software development workflows by generating code, selecting dependencies, and producing package installation commands. This creates a new software supply chain risk: when an agent hallucinates a non-existent package, an attacker may register the hallucinated name and later compromise users who install it. Existing package hallucination attacks and defenses primarily focus on naturally occurring hallucinations, targeted dependency steering, or post-hoc package validation. In this paper, we introduce \emph{Neutral Prompting Attack} (NPA), a highly stealthy attack paradigm in which semantically benign instructions, such as encouraging imagination and exhaustiveness, increase package hallucination propensity without containing explicit malicious intent. Unlike targeted dependency steering, NPA does not specify an attacker-chosen package. Instead, it shifts the model's dependency generation behavior toward more speculative package names. We evaluate NPA across multiple coding-oriented LLMs and package hallucination benchmarks. Our results show that NPA increases both \emph{Hallucination ASR} and \emph{Pip Install ASR}, changes the distribution of hallucinated package names, and evades existing static-analysis, LLM-based, and agent-based Skill defenses. These findings reveal that harmless-looking prompts can covertly manipulate hallucination behavior and create downstream software supply chain risks.
arXiv:2605.30159v1 Announce Type: new
Abstract: Memory-augmented LLM agents tackle complex long-horizon tasks by recursively summarizing interaction trajectories into compact memory. However, existing approaches typically train these memory policies using outcome-based reinforcement learning, failing to localize where intermediate memory quality degrades. As interactions unfold, ambiguous recursive summaries progressively discard task-relevant information and introduce semantic noise. This exacerbates belief deviation, obscuring the agent's estimate of the latent task state and ultimately derailing long-horizon reasoning. We therefore argue that memory optimization should focus not merely on trajectory-level success, but on the clarity of the belief induced by intermediate summaries. To this end, we introduce Belief Entropy, a self-supervised proxy that probes how uncertain the model remains about the latent task state given its current memory. Based on this proxy, we propose Metacognitive Memory Policy Optimization (MMPO). Instead of relying only on sparse outcome-based signals, MMPO provides fine-grained, memory-specific supervision via explicitly penalizing summaries that induce high epistemic uncertainty. Experiments show that MMPO consistently outperforms existing methods on diverse long-horizon tasks, maintaining 97.1% performance even when scaled to 1.75M-token contexts.
arXiv:2605.30093v1 Announce Type: new
Abstract: Foundation features from self-supervised vision models and text-to-image diffusion models have proven effective for semantic correspondence estimation. However, because these features are learned primarily from 2D image objectives, they lack explicit 3D awareness and often confuse symmetric object sides, repeated parts, and visually similar structures that are distinct in 3D. We introduce a 3D-aware post-training framework that goes beyond available 2D foundation features by incorporating priors from 3D foundation models. Given an image, our method uses SAM3D to estimate object geometry and pose, and refines the pose through render-and-compare optimization. Subsequently, we render PartField descriptors from the reconstructed geometry into the image plane based on the estimated object pose. The resulting geometry-aware feature maps complement DINO and Stable Diffusion features, while geodesic distances on the reconstructed shapes enable reliable filtering of candidate correspondences. We use the filtered matches as supervision to train a lightweight adapter on top of DINO and Stable Diffusion for semantic correspondence. In contrast to prior post-training approaches that require pose annotations and rely on coarse spherical geometry, our method automatically obtains instance-specific 3D structure and uses it to guide correspondence learning. Experiments show that our approach improves semantic correspondence over the prior methods while reducing manual geometric supervision. Code and model can be found at https:/github.com/GenIntel/3D-SC.
arXiv:2605.29995v1 Announce Type: new
Abstract: Superimposed pilot (SIP) transmission improves spectral efficiency by eliminating the dedicated pilot overhead required in orthogonal pilot (OP)-based schemes. However, SIP suffers from severe pilot-data coupling, which leads to a critical performance-complexity bottleneck at the receiver. To address this issue, this paper proposes a low-overhead transmission framework that revitalizes data-dependent superimposed training (DDST) with enhanced interference mitigation strategies. First, for quasi-static block-fading channels, an enhanced DDST receiver is developed to achieve non-iterative pilot-data decoupling by exploiting data-dependent algebraic structures. Second, to overcome the sensitivity of conventional DDST to channel variations and symbol misidentification in fast time-varying environments, a mix transmission scheme is developed. By strategically applying DDST to a subset of resource elements, the proposed scheme combines the interference-free transmission property of OP with the zero-pilot-overhead advantage of SIP, thereby improving demapping reliability and interference suppression. Furthermore, under the proposed mix scheme, a Vision Transformer-based neural receiver is designed to capture the orthogonal structure between pilots and perturbation-bearing data, as well as the underlying channel correlations, thereby relaxing the stringent quasi-static assumption required for interference disentanglement. Simulation results demonstrate that the proposed framework achieves significant performance gains in the low-to-medium SNR regime under time-varying channels while providing superior computational efficiency compared with state-of-the-art SIP receivers.
arXiv:2605.29788v1 Announce Type: new
Abstract: Critical sequential decisions are rarely single-timescale: a strategic decision causally shapes the context in which every subsequent tactical choice is made; standard bandit and reinforcement-learning theory does not capture this causal coupling between timescales. We formalise the problem class as Nested Contextual Causal Bandits (NCCBs), a hierarchical SCM where each level's action sets the next level's context distribution, and propose Nested Causal Thompson Sampling (NCTS), which draws one mechanism-factorised belief per episode and acts recursively under it. Our main theoretical result is a causal PAC-Bayesian excess-risk bound that certifies any candidate deployment policy from historic data alone, off-policy and anytime, answering the deployment question: can we trust this agent here, and at what risk? Experiments on a hierarchical SCM show that, against a matched RFF-GP joint regression on the same function class, the factorised SCM-mechanism posterior transfers significantly better zero-shot under exogenous distribution shifts, the recursive meta-to-inner commit significantly dominates the joint-commit alternative in distribution, and the certificate significantly contracts as offline data accumulates. Combining these results, we establish progressive certified handover, a safe-deployment method: each timescale flips from a legacy controller to NCTS when gains can be certified, independently of the others.
arXiv:2605.29380v1 Announce Type: new
Abstract: Mainstream strategies for finetuning pretrained multimodal models often degrade out-of-distribution (OOD) robustness, a phenomenon known as catastrophic forgetting. In this paper, we develop a theoretical framework for multimodal contrastive finetuning, yielding closed-form solutions and a geometric decomposition for each strategy. This framework shows that self-distillation is more effective than other regularization approaches to retain the knowledge of the pretrained model. Our analysis reveals a largely overlooked limitation: standard Exponential Moving Average (EMA) teachers, widely used in robust finetuning, suffer from collapse. To solve this, we prove that a Weighted Moving Average (WMA) teacher maintains a persistent regularizing force over finite horizons and yields bias-free convergence in the task subspace while preserving orthogonal knowledge. These insights motivate **TRACER** (**T**rajectory-**R**obust **A**nchoring for **C**ontrastive **E**ncoder **R**egularization), which combines contrastive learning with WMA-guided multi-perspective distillation. Extensive experiments on CLIP finetuning demonstrate consistent OOD accuracy and calibration gains across three backbone architectures, and comprehensive ablations confirm that TRACER is both principled and robust to hyperparameter choices. Code is available at [https://github.com/HesamAsad/TRACER](https://github.com/HesamAsad/TRACER).
arXiv:2406.10238v2 Announce Type: replace
Abstract: An infodemic refers to an enormous amount of true information and misinformation disseminated during a disease outbreak. Detecting misinformation at the early stage of an infodemic is key to reduce its harm to public health. An early stage infodemic is characterized by a large volume of unlabeled information concerning a disease. As a result, conventional misinformation detection methods are not suitable for this misinformation detection task because they rely on labeled information in the infodemic domain to train their models. To address this limitation, state-of-the-art methods learn their models using labeled information in other domains to detect misinformation in the infodemic domain. The efficacy of these methods depends on their ability to mitigate both covariate shift (i.e., differences in feature distributions) and concept shift (i.e., differences in labeling patterns) between the infodemic domain and the domains from which they leverage labeled information. However, these methods focus on mitigating covariate shift but overlook concept shift, rendering them less effective for the task. In response, we theoretically show the necessity of tackling both covariate and concept shifts as well as how to operationalize each of them. Built on the theoretical analysis, we develop a novel misinformation detection method that addresses both covariate and concept shifts. Using real-world datasets, we conduct extensive empirical evaluations to demonstrate the superior performance of our method over state-of-the-art misinformation detection methods as well as prevalent domain adaptation methods that can be tailored to solve the misinformation detection task.
arXiv:2605.30207v1 Announce Type: new
Abstract: The same prompt -- "best CRM software" -- reaches AI assistants from buyers in widely different contexts: a solo founder, an enterprise VP, a UK SMB owner. We audit how strongly that contextual variation reshapes which brands the model recommends. The audit samples 2,000 runs over a design space of 10 personas x 8 prompts x 3 model configurations x N=10 reps, with the two OpenAI cells at full 8-prompt coverage and the Anthropic sonnet-4.6 / low cell at 4-prompt coverage. Prefixing the user message with a persona drops the recommendation-set similarity (Jaccard) by Delta = -0.12 to -0.20 relative to a same-persona baseline (clustered 95% CIs exclude zero on all three measured cells; the sonnet cell's CI rests on only 4 prompt clusters and is correspondingly wider). The effect is sharply prominence-stratified: category leaders are persona-resistant (~80% same-brand consistency across personas), but mid-market brands swap up to 75% of the recommendation set as the persona changes. The Anthropic model shows a larger point-estimate effect than the OpenAI configurations, though clustered CIs overlap for the closer contrast (sonnet vs. OpenAI/high); the asymmetry is consistent with Anthropic's more retrieval-unattributed generation route (43-52% recommendations without observed retrieval-layer evidence, vs OpenAI's 8-29%, documented in Jack 2026). Any measurement of AI brand perception must condition on the buyer persona supplying the query: the same prompt produces materially different recommendation sets depending on who the model thinks is asking, and a measurement protocol that aggregates across personas systematically obscures that variation. The effect concentrates at mid-market and is largest on the most priors-reliant generation route in our audit, consistent with persona responsiveness growing as models lean more on training-data priors and richer context integration.
arXiv:2401.08197v3 Announce Type: replace
Abstract: This paper considers the problem of completing a rating matrix based on sub-sampled matrix entries as well as observed social graphs and hypergraphs. We show that there exists a \emph{sharp threshold} on the sample probability for the task of exactly completing the rating matrix -- the task is achievable when the sample probability is above the threshold, and is impossible otherwise -- demonstrating a phase transition phenomenon. The threshold can be expressed as a function of the ``quality'' of hypergraphs, enabling us to \emph{quantify} the amount of reduction in sample probability due to the exploitation of hypergraphs. This also highlights the usefulness of hypergraphs in the matrix completion problem. En route to discovering the sharp threshold, we develop a computationally efficient matrix completion algorithm that effectively exploits the observed graphs and hypergraphs. Theoretical analyses show that our algorithm succeeds with high probability as long as the sample probability exceeds the aforementioned threshold, and this theoretical result is further validated by synthetic experiments. Moreover, our experiments on a real social network dataset (with both graphs and hypergraphs) show that our algorithm outperforms other state-of-the-art matrix completion algorithms.
arXiv:2605.28867v1 Announce Type: new
Abstract: Generating high-quality time-series data is challenging because real-world signals often exhibit multimodal patterns and multiscale dynamics, including oscillations and high-frequency variations. Flow Matching (FM) offers an efficient alternative to diffusion models, but practical implementations typically rely on a single finite-capacity global vector-field estimator. In such heterogeneous temporal distributions, distinct regimes may pass through nearby flow states while requiring incompatible conditional velocities. A monolithic estimator trained with the standard $\ell_2$ velocity-matching objective may therefore learn an overly smoothed approximation of the local transport field. This estimator-level smoothing can attenuate branch-specific dynamics, leading to spectral distortion and poor mode coverage. To address this, we propose PrismFlow, a new FM method with Koopman-inspired dynamical experts. Each expert learns residual corrections in a latent space where local nonlinear temporal evolution can be approximated by linear transitions. We further propose a confidence-aware Winner-Take-All (WTA) objective that updates only the expert best aligned with each sample while masking gradients to the others, encouraging mode-specific specialization. During sampling, the selected expert adds a residual dynamical correction to the global transport field, preserving FM stability while recovering fine-grained and high-frequency temporal structures. Across various benchmarks, PrismFlow effectively mitigates the spectral contraction in standard FM and achieves state-of-the-art performance, with a 15.6% gain in Context-FID and a 38.6% improvement in Discriminative Score, while remaining robust in low-data settings and effective for forecasting and imputation.
arXiv:2605.29893v1 Announce Type: new
Abstract: LLM-based agents have demonstrated strong capabilities in solving complex tasks through multi-step reasoning and tool use. However, existing evaluation protocols primarily focus on task success, overlooking a critical aspect of agent behavior: execution efficiency. In practice, agent trajectories often contain redundant steps that consume substantial resources while contributing little to task completion. In this work, we propose and formulate a new research area: \textbf{redundant step detection} for agent trajectories. To support this initiative, we introduce \textbf{RedundancyBench}, a new benchmark that contains diverse tasks with carefully annotated trajectories, where each step is labeled according to its contribution to task completion. Using RedundancyBench, we develop and evaluate 3 representative methods to answer whether a step within trajectory is redundant or necessary. Our results show that even the best-performing method achieves only 24.88\% score in detecting redundant steps, while some methods perform worse than random guessing. These results highlight the task's complexity and the need for further research in this area. \footnote{Code and dataset in this paper are both available in \href{https://anonymous.4open.science/r/RedundancyBench}{https://anonymous.4open.science/r/RedundancyBench}.}
arXiv:2605.29999v1 Announce Type: new
Abstract: The accelerating growth of global data generation demands data storage platforms that offer high capacity, long lifespan, and low energy consumption beyond the limits of electronic memory technologies. Optical storage provides an attractive alternative. However, its density is fundamentally constrained by the optical diffraction limit and the limited scalability from the point-by-point laser writing, as well as thermal accumulation during high-speed writing. Here, we introduce a large-scale optical data storage scheme that is compatible with the progress in chip fabrication by combining electron-beam lithography (EBL) and ion implantation to deterministically encode high-density data. The approach achieves precise control of ion number and spatial distribution, enabling multi-bit grayscale encoding and wavelength division multiplexing with chip-scale patterning over millimeter areas. Wavelength-selective readout is performed using downconversion and upconversion fluorescence detection, allowing crosstalk-free retrieval of multiplexed data channels. We further develop a neural network-based super-resolution algorithm that reconstructs data beyond the diffraction limit, further increasing the effective storage density. Using this integrated framework, we achieve an optical data density of 10 Gbit/cm$^2$ with high fidelity. Our results establish a micro/nano-fabrication-compatible route to large-scale, high-density optical memory and provide a foundation for next-generation cold data optical storage technologies.
arXiv:2605.29392v1 Announce Type: new
Abstract: AI tools are increasingly integrated into real-world workflows. However, existing measures of reliance on these tools focus on AI output adoption or on self-reported indicators, rather than how task effort is distributed between users and tools. Here, we introduce offloading score, a measure of reliance that quantifies the fraction of cognitive effort offloaded to an AI tool. Offloading Score is simulation-based -- we construct a counterfactual workflow by estimating how the user would have completed the task without the tool, and then computing the fraction of steps saved by using the tool. We validate offloading score through intrinsic evaluations of metric validity, and a controlled user study ($n=40$) with developers performing programming tasks using AI tools. We vary time pressure to test whether reliance measures capture the known increase in reliance under time pressure. We show that offloading score detects significantly higher reliance in time-constrained settings ($+43\%$, $p=0.018$), while usage-based and self-reported baseline measures of reliance do not distinguish the conditions. We complement this with descriptive insights showing that higher reliance manifests as greater delegation of subtasks to the tool and more direct reuse of AI outputs. Finally, we demonstrate an approach of using offloading score in combination with target outcomes of a task (e.g., code understanding) to identify when reliance may be (in)appropriate. Our framework offers two contributions: an instrument users can apply to measure and reflect on their own reliance, and a quantitative signal that agent designers can utilize to mitigate overreliance.
arXiv:2605.29394v1 Announce Type: new
Abstract: While large language models (LLMs) excel at static scientific reasoning, they struggle to model the temporal structure of dynamic physical processes. We present EvoMD-LLM (Evolutionary Molecular Dynamics Large Language Model), a framework that reformulates species-level molecular dynamics as a symbolic temporal language modeling problem. Reactive MD trajectories are discretized into sequences of molecular events, where each token represents a chemical species augmented with its persistence duration, enabling standard autoregressive LLMs to learn compositional evolution over time through efficient fine-tuning. A key component of EvoMD-LLM is temporal scaffolding, which treats event duration as an explicit linguistic token and serves as a structured inductive bias, significantly reducing invalid or hallucinated molecular outputs compared to conventional sequence modeling approaches. We evaluate EvoMD-LLM on multiple temporal prediction tasks, achieving up to 66.14% accuracy and consistently outperforming sequential neural networks and language-based baselines. Beyond quantitative improvements, we qualitatively observe that the model is capable of generating interpretations for its own predictions by incorporating relevant chemical knowledge, even though it was not explicitly supervised with paired trajectory-explanation data. These results demonstrate that symbolic temporal language modeling provides an effective framework for grounding LLMs in dynamic physical simulations.
arXiv:2404.16077v4 Announce Type: replace
Abstract: Effective code optimization in compilers is crucial for computer and software engineering. The success of these optimizations primarily depends on the selection and ordering of the optimization passes applied to the code. While most compilers rely on a fixed sequence of optimization passes, current methods to find the optimal sequence either employ impractically slow search algorithms or learning methods that struggle to generalize to code unseen during training. We introduce CompilerDream, a model-based reinforcement learning approach to general code optimization. CompilerDream comprises a compiler world model that accurately simulates the intrinsic properties of optimization passes and an agent trained on this model to produce effective optimization strategies. By training on a large-scale program dataset, CompilerDream is equipped to serve as a general code optimizer across various application scenarios and source-code languages. Our extensive experiments first highlight CompilerDream's strong optimization capabilities for autotuning, where it leads the CompilerGym leaderboard. More importantly, the zero-shot generalization ability of large-scale trained compiler world model and agent, excels across diverse datasets, surpassing LLVM's built-in optimizations and other state-of-the-art methods in both settings of value prediction and end-to-end code optimization.
arXiv:2605.29396v1 Announce Type: new
Abstract: Safety alignment for large language models (LLMs) aims to reduce harmful or unsafe behavior while preserving general utility. However, recent findings reveal that alignment effects can be fragile: lightweight post-alignment manipulations, such as parameter noise, activation noise, or quantization, can easily weaken the intended safety behavior. Prior efforts to improve robustness have primarily focused on data curation, modified alignment objectives, and safety-critical parameter identification, leaving the role of the optimizer itself largely unexplored.
In this paper, we are the first to study the robustness of safety alignment from the perspective of the base optimizer. This optimizer-centric view naturally points to zeroth-order optimization, which provides a robustness-oriented signal by evaluating safety alignment under perturbations. Based on this insight, we propose a hybrid framework that first performs standard first-order safety alignment and then applies zeroth-order refinement to improve robustness. Both theoretically and empirically, we show that only a few zeroth-order refinement steps can enhance robustness while preserving safety alignment. We further improve the efficiency of zeroth-order refinement by exploiting its inherent perturbation-based evaluations to estimate layer-wise robustness sensitivity, enabling the refinement process to concentrate updates on robustness-critical layers with modest training overhead.
arXiv:2605.29399v1 Announce Type: new
Abstract: A central challenge in affective computing is determining appropriate empathy levels for different interaction contexts. Prior work has characterized two poles: task-focused interactions, where empathy demand is near zero, and emotional disclosure, where empathy demand is high. This paper identifies a distinct intermediate type, decision support under stress, in which a sender faces a consequential choice while experiencing emotional difficulty. We hypothesize that this type elicits an asymmetric empathy profile: empathy comparable to emotional disclosure but instrumentality comparable to task-focused exchange. We test five hypotheses using 28,239 post-reply dyads from three Reddit advice communities, classified into three interaction types and scored for empathy depth, empathy form, and instrumental proportion using LLM-based annotation with pattern-based robustness checks. Results confirm the predicted asymmetric profile: decision-support-under-stress replies show significantly higher empathy than task-focused replies (M = 0.47 vs. 0.24, p < 0.001) while maintaining high instrumentality (0.83 vs. 0.77 for emotional disclosure, p < 0.001). Behavioral empathy dominates (36.6%), and community-validated response quality is negatively associated with empathic expression (r = -0.075, p < 0.001). Community norms modulate baselines substantially but preserve the structural ordering. These findings establish a human empathy baseline for this interaction type and have direct implications for calibrating empathic expression in affective AI systems.