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01.
arXiv (quant-ph) 2026-06-24

On estimating Schatten norm and power distances between quantum states

arXiv:2505.00457v3 Announce Type: replace Abstract: We study the computational complexity of estimating the quantum Schatten $\alpha$-norm distance $T_\alpha(\rho_0,\rho_1)$, given $poly(n)$-size state-preparation circuits of $n$-qubit quantum states $\rho_0$ and $\rho_1$. This quantity serves as a lower bound on the trace distance and, for $\alpha > 1$, is interchangeable with its powered version $\Lambda_\alpha(\rho_0,\rho_1)$. For any constant $\alpha > 1$, we develop an efficient rank-independent quantum estimator for $T_\alpha(\rho_0,\rho_1)$ with time complexity $poly(n)$, achieving an exponential speedup over the prior best results of $\exp(n)$ due to Wang, Guan, Liu, Zhang, and Ying (TIT 2024). When $01$, QSD$_{\alpha}$ is $\sf BQP$-complete. 2. For any $1 \leq \alpha(n) \leq 1+negl(n)$, QSD$_\alpha$ is $\sf QSZK$-complete, implying that no efficient quantum estimator for $T_\alpha(\rho_0,\rho_1)$ exists unless ${\sf BQP}={\sf QSZK}$. This $\sf QSZK$-hardness result also extends to the promise problem defined by $\Lambda_\alpha(\rho_0,\rho_1)$ for constant $0

02.
arXiv (CS.CL) 2026-06-18

STARE: Surprisal-Guided Token-Level Advantage Reweighting for Policy Entropy Stability

Reinforcement Learning with Verifiable Rewards algorithms like GRPO have emerged as the dominant post-training paradigm for complex reasoning in LLMs, yet commonly suffer from policy entropy collapse during training. We conduct a first-order gradient analysis of token-level entropy dynamics under GRPO and identify a token-level credit assignment mismatch: the per-token entropy variation decomposes into the product of the trajectory-level advantage and an entropy sensitivity function over the next-token distribution, yielding an advantage-surprisal four-quadrant structure and a near-criticality property. Motivated by it, we propose STARE (Surprisal-guided Token-level Advantage Reweighting for policy Entropy stability), which identifies entropy-critical token subsets via batch-internal surprisal quantiles, selectively reweights their effective advantages, and incorporates a target-entropy closed-loop gate for stable entropy regulation. Across model scales from 1.5B to 32B and three task families (Short CoT, Long CoT, and Multi-Turn Tool Use), STARE sustains stable RL training over thousands of steps while maintaining policy entropy within the target band. On AIME24 and AIME25, STARE outperforms DAPO and other competitive baselines by 4%-8% in average accuracy, with reflection tokens and response length growing in tandem, indicating sustained exploration-exploitation balance that further unlocks RL training potential.Code is available at https://github.com/hp-luo/STARE.

03.
arXiv (CS.AI) 2026-06-17

Brick-DICL: Dynamic In-Context Learning for Automated Brick Schema Classification

arXiv:2606.17637v1 Announce Type: new Abstract: Building Management Systems (BMS) are essential for optimizing energy efficiency and operational performance in modern buildings. However, the lack of standardization across BMS points from different manufacturers creates significant barriers to integration and data utilization. While the Brick schema offers a standardized ontology for building systems, mapping BMS points to appropriate Brick classes presents three critical challenges: (i) the extensive number of Brick classes (936 in the latest version), (ii) limited domain-specific knowledge in large language models (LLMs), and (iii) substantial manual effort required for verification. To address these challenges, we propose Brick-DICL, a two-stage dynamic in-context learning framework for automated Brick schema classification. Brick-DICL consists of two primary components: metadata-RAG, which retrieves relevant examples to enhance LLMs' domain knowledge, and class-RAG, which narrows down potential Brick classes to address the large classification space. Additionally, we implement a multi-LLM filtering mechanism that compares predictions across multiple models, flagging low-confidence classifications for human review. As a result: (i) General: Brick-DICL is applicable to any building management system regardless of manufacturer or metadata format; (ii) Novel and Powerful: as the first dynamic in-context learning approach for Brick schema classification, Brick-DICL achieves significant classification accuracy improvements on building datasets, outperforming existing methods; (iii) Efficient: our multi-LLM filtering strategy reduces manual verification effort, enabling rapid digital building onboarding. Extensive experiments demonstrate Brick-DICL's effectiveness across diverse building datasets, accelerating the path toward standardized, interoperable building management systems.

04.
arXiv (CS.AI) 2026-06-18

TRIDENT: Breaking the Hybrid-Safety-Physics Coupling for Provably Safe Multi-Agent Reinforcement Learning

arXiv:2606.18308v1 Announce Type: cross Abstract: Safe coordination in networked cyber-physical systems forces learning algorithms to simultaneously handle hybrid discrete-continuous actions, hard training-time safety constraints, and physics-governed dynamics. We show that these three features form a directed cycle of biases that defeats any naive composition of off-the-shelf modules, and formalize this as a three-way coupling lemma. We then introduce TRIDENT, the first MARL framework whose three components are co-designed to cancel each leak: a Richardson-Romberg gradient correction reducing Gumbel-Softmax bias from O(tau) to O(tau^2), a Lyapunov-constrained sequential trust-region update enforcing per-iterate feasibility, and a physics-informed residual critic that decomposes value rather than reward. We prove an O~(1/sqrt(K)) convergence rate to a constrained Nash equilibrium and an O(sqrt(K)) cumulative-violation bound. On multi-UAV mobile-edge computing, autonomous intersection management, and a hybrid SMAC variant, TRIDENT cuts training-time violations by 95.5% over MADDPG and 76.3% over MACPO, while improving reward by 13.5% over the strongest unconstrained baseline.

05.
arXiv (CS.CV) 2026-06-24

3DCarGen: Scalable 3D Car Generation via 3D-consistent Multi-view Synthesis

High-quality 3D vehicle assets are essential for autonomous driving simulation. Although multi-view diffusion-based paradigms enable controllable single-image reconstruction, they typically produce limited viewpoints and exhibit cross-view geometric inconsistencies, thereby reducing reconstruction fidelity in real-world scenarios. In this work, we introduce 3DCarGen, a scalable single-view 3D car generation framework designed for real-world images by synthesizing an arbitrary number of 3D-consistent multi-view images. Specifically, given a single image as input, we first synthesize a set of images from fixed viewpoints. These images are then fed into a feed-forward reconstruction model, resulting in a coarse 3D representation based on 3D Gaussian Splatting. Conditioned on this explicit 3D prior, our multi-view diffusion model generates 3D-consistent images from arbitrary camera viewpoints. We further extend a fast mesh reconstruction algorithm by incorporating color-normal joint optimization to recover detailed and coherent 3D vehicle models from the synthesized dense views. Extensive experiments on synthetic and real-world datasets demonstrate that our approach achieves robust geometric consistency and reconstruction fidelity compared to existing methods. Code and models will be released.

06.
arXiv (CS.AI) 2026-06-15

Optimizing Agentic Reasoning with Retrieval via Synthetic Semantic Information Gain Reward

arXiv:2602.00845v3 Announce Type: replace Abstract: Agentic reasoning enables large reasoning models (LRMs) to dynamically acquire external knowledge, but yet optimizing the retrieval process remains challenging due to the lack of dense, principled reward signals. In this paper, we introduce InfoReasoner, a unified framework that incentivizes effective information seeking via a synthetic semantic information gain reward. Theoretically, we redefine information gain as uncertainty reduction over the model's belief states, establishing guarantees, including non-negativity, telescoping additivity, and channel monotonicity. Practically, to enable scalable optimization without manual retrieval annotations, we propose an output-aware intrinsic estimator that computes information gain directly from the model's output distributions using semantic clustering via bidirectional textual entailment. This intrinsic reward guides the policy to maximize epistemic progress, enabling efficient training via Group Relative Policy Optimization (GRPO). Experiments across seven question-answering benchmarks demonstrate that InfoReasoner consistently outperforms strong retrieval-augmented baselines, achieving up to 5.4% average accuracy improvement. Our work provides a theoretically grounded and scalable path toward agentic reasoning with retrieval. The code is available at https://github.com/dl-m9/InfoReasoner

07.
arXiv (quant-ph) 2026-06-24

Picosecond Schrödinger cat states for ultrafast optical quantum processing

arXiv:2606.24002v1 Announce Type: new Abstract: Non-Gaussian states are essential resources for universal, fault-tolerant optical quantum computing, but their generation rate remains limited by low heralding probabilities and operation in nanosecond temporal modes. Here, we demonstrate multi-photon generalized photon subtraction in picosecond optical wave packets, establishing the state-generation capability required for high-rate operation by addressing the temporal-mode bottleneck that has constrained the achievable rate. Two interfering ultrashort squeezed vacua are heralded by photon-number-resolving detection with a high-speed transition-edge sensor and characterized by pulsed homodyne detection matched to 10-ps temporal modes at a 5-MHz pump repetition rate. We reconstruct Wigner functions without loss correction that exhibit up to four distinct negative regions for four-photon heralding, together with an effective cat-state amplitude of $\alpha_{\mathrm{eff}} = 1.69$. This amplitude approaches the range of practical relevance for fault-tolerant cat-code architectures and for adaptive breeding toward logical-qubit generation, while the picosecond temporal mode establishes a platform compatible with high-rate, scalable time-multiplexed photonic architectures.

08.
arXiv (quant-ph) 2026-06-15

Computational regimes in matrix-product-state-based quantum trajectory simulations

arXiv:2606.13779v1 Announce Type: new Abstract: Efficient simulation of open quantum systems is central to modeling noisy quantum hardware and many-body dynamics. In trajectory-based tensor network methods, cost is often associated with trajectory-level quantities such as entanglement growth or bond dimension. However, the total cost of a fixed-accuracy simulation also depends on statistical sampling, and the interplay between per-trajectory complexity and sampling effort remains poorly understood. Here we introduce a cost-resolved framework for matrix product state (MPS)-based quantum trajectory simulations that decomposes total cost into memory per trajectory, runtime per trajectory, and sampling effort. We show that physically equivalent stochastic unravelings of the same Lindblad dynamics do not necessarily reduce total cost, but instead redistribute cost between trajectory complexity and statistical convergence. This trade-off is quantified by two dimensionless inflation factors: a bond dimension inflation $\alpha$ and a sampling inflation $\kappa$, which together determine the preferred unraveling under hardware-dependent memory and parallelism constraints. We provide a practical protocol for extracting $(\alpha,\kappa)$ from modest pilot simulations and demonstrate it using benchmarks across multiple noise channels. The resulting decision maps show that the computationally favorable unraveling can change with noise strength, time-step resolution, system size, and available parallelism. These results establish unraveling choice as a hardware-aware simulation design problem rather than an intrinsic optimization of trajectory entanglement alone.

09.
arXiv (CS.CV) 2026-06-17

Neural Tree Reconstruction for the Open Forest Observatory

The Open Forest Observatory (OFO) is a collaboration across universities and other partners to make low-cost forest mapping accessible to ecologists, land managers, and the general public. The OFO is building both a database of geospatial forest data as well as open-source methods and tools for forest mapping by uncrewed aerial vehicle. Such data are useful for a variety of climate applications including prioritizing reforestation efforts, informing wildfire hazard reduction, and monitoring carbon sequestration. In the current iteration of the OFO's forest map database, 3D tree maps are created using classical structure-from-motion techniques. This approach is prone to artifacts, lacks detail, and has particular difficulty on the forest floor where the input data (overhead imagery) has limited visibility. These reconstruction errors can potentially propagate to the downstream scientific tasks (e.g. a wildfire simulation.) Advances in 3D reconstruction, including methods like Neural Radiance Fields (NeRF), produce higher quality results that are more robust to sparse views and support data-driven priors. We explore ways to incorporate NeRFs into the OFO dataset, outline future work to support even more state-of-the-art 3D vision models, and describe the importance of high-quality 3D reconstructions for forestry applications.

10.
medRxiv (Medicine) 2026-06-15

A More-Than-Human Approach to Designing for Mental Health: Remixing Prototypes for the Contexts of Complex Healthcare Infrastructures

Digital mental health tools (DMHTs) often fail to be successfully implemented in clinical settings. While user- and human-centred design frameworks are frequently proposed for developing effective tools, they are insufficient to address the sociotechnical complexity of healthcare environments. This paper addresses this limitation by detailing the application of a more-than-human design framework to incorporate wider contextual factors into design decisions. To demonstrate the application of this more-than-human design framework, we present a case study showcasing the design of one specific feature within a DMHT intended to support Health Improvement Practitioners (HIPs) in New Zealand's Integrated Primary Mental Health and Addictions (IPMHA) service. Our process blends usage-context storyboards with interface prototypes, using think-aloud interviews to test the contextual fit of our prototypes. The initial design concept failed due to contextual factors such as inconsistent wait times and the administrative burden on clients and clinic staff. This led to a pivot to a more context-appropriate, practitioner-focused, in-session concept for digital psychometric administration and automated scoring. This case study demonstrates that for DMHTs to be viable within complex healthcare environments, design must focus on more than the needs of a single user, incorporating multiple stakeholders and contextual variables across the wider service-delivery context.

11.
arXiv (CS.CL) 2026-06-17

Translating the Untranslatable: An Operationalizable Ontology for Untranslatability

Untranslatability, cases where meaning cannot be directly preserved across languages, is well-studied in linguistics but underexplored in NLP. As machine translation (MT) systems improve on standard benchmarks, their limitations increasingly concentrate in such cases, where translation cannot be reduced to one-to-one equivalence. We introduce a structured ontology of untranslatability along with a taxonomy of compensation strategies, which are specific techniques to convey meaning under these untranslatable circumstances. We operationalize this framework into a multilingual dataset of untranslatable sentences paired with strategy-based translations, enabling controlled analysis of translation behavior. Initial human preference studies suggest that translation quality depends on the strategy used, with consistent preferences for outputs that include explanatory context, known as the Annotation compensation strategy. Our framework and dataset provide a foundation for studying and modeling strategy-informed machine translation.

12.
arXiv (CS.LG) 2026-06-12

COSMOS: Model-Agnostic Personalized Federated Learning with Clustered Server Models and Pseudo-Label-Only Communication

arXiv:2605.11165v2 Announce Type: replace Abstract: Federated learning (FL) in heterogeneous environments remains challenging because client models often differ in both architecture and data distribution. While recent approaches attempt to address this challenge through client clustering and knowledge distillation, simultaneously handling architectural and statistical heterogeneity remains difficult. We introduce COSMOS, a model-agnostic framework that enables server-side personalization using only pseudo-label communication. Clients train local models and predict on the public data; the server clusters clients by prediction similarity, trains a cluster-specific model for each group using its own compute, and distills the resulting models back to clients. We provide the first theoretical analysis showing that distillation from the learned cluster models can yield exponential personalization risk contraction, going beyond the convergence-to-stationarity guarantees typically provided in model-agnostic FL. Experiments across benchmarks demonstrate that COSMOS consistently outperforms all model-agnostic FL baselines while remaining competitive with state-of-the-art personalized FL methods. More broadly, our results highlight personalized server-side learning with pseudo-labels as a promising paradigm for scalable and model-agnostic federated learning in highly heterogeneous environments.

13.
arXiv (CS.CL) 2026-06-18

Efficient Hallucination Detection for LLMs Using Uncertainty-Aware Attention Heads

While large language models (LLMs) have become highly capable, they remain prone to factual inaccuracies, commonly referred to as "hallucinations." Uncertainty quantification (UQ) offers a promising way to mitigate this issue, but most existing methods are computationally intensive and/or require supervision. In this work, we propose Recurrent Attention-based Uncertainty Quantification (RAUQ), an unsupervised and efficient framework for identifying hallucinations. The method leverages an observation about transformer attention behavior: when incorrect information is generated, certain "uncertainty-aware" attention heads tend to reduce their focus on preceding tokens. RAUQ automatically detects these attention heads and combines their activation patterns with token-level confidence measures in a recurrent scheme, producing a sequence-level uncertainty estimate in just a single forward pass. Through experiments on twelve datasets spanning question answering, summarization, and translation across nine different LLMs, we show that RAUQ consistently outperforms state-of-the-art UQ baselines. Importantly, it incurs minimal overhead, requiring less than 1\% additional computation. Since it requires neither labeled data nor extensive parameter tuning, RAUQ serves as a lightweight, plug-and-play solution for real-time hallucination detection in white-box LLMs.

14.
arXiv (CS.AI) 2026-06-12

PolicyGuard: Towards Test-time and Step-level Adversary Defense for Reinforcement Learning Agent

arXiv:2606.12896v1 Announce Type: cross Abstract: While real-world applications of reinforcement learning (RL) are becoming increasingly popular, the security of RL systems deserve more attention and exploration. In particular, recent work has revealed that RL agents are vulnerable to backdoor attacks, where a victim agent behaves normally under standard conditions but executes malicious actions when a specific trigger is activated. Existing backdoor defenses for RL either require access to the agent's internal parameters, operate only at the model or trajectory level, or are limited to specific attack types. To ensure the security of RL agents, we propose \texttt{PolicyGuard}, a test-time step-level backdoor defense which leverages Gaussian Process (GP) posterior variance and adapts pseudo trajectories to enable uncertainty computation for individual time step. Besides, we also provide theoretical foundations to explain the efficacy of GP posterior variance. Extensive experiments across seven RL games demonstrate that PolicyGuard achieves state-of-the-art detection performance in most cases, with average AUROC of 0.856 for perturbation-based attacks and 0.859 for adversary-agent attacks.

15.
arXiv (CS.AI) 2026-06-12

EPIG: Emotion-Based Prompting for Personalised Image Generation

arXiv:2606.13247v1 Announce Type: new Abstract: Text-to-image diffusion models have achieved impressive results in synthesizing high-quality images from natural language prompts. However, commonly used prompting strategies remain relatively generic, limiting the model's ability to accurately express emotional intent and nuanced affective attributes. This work proposes EPIG, a method that enhances emotional expressiveness at the prompt level prior to image generation. Grounded in psychologically informed emotion representations (valence-arousal) and leveraging structured, role-aware prompt enrichment, EPIG enriches emotion-related components of prompts without modifying or retraining the image generation backbone. The resulting emotion-aware prompts guide the generative process toward more emotionally coherent visual outputs, with particular effectiveness in controlling arousal. EPIG is lightweight, training-free, and well suited for resource-constrained and personalized image generation scenarios. Experimental results on a benchmark of 10 diverse prompts show that EPIG reduces mean arousal error compared to strong baselines, including naive insertion and LLM-based prompt expansion, with reductions of 14% and 12%, respectively. These improvements are statistically significant. EPIG also preserves valence alignment and semantic consistency, as measured by CLIPScore and supported by ablation studies. The effect is more pronounced on prompts containing explicit subjects such as humans, children, or animals, where the reduction reaches 17%, highlighting the subject-sensitive behavior of the proposed method.

16.
arXiv (CS.AI) 2026-06-19

Enhancing Generative Auto-bidding with Offline Reward Evaluation and Policy Search

arXiv:2509.15927v5 Announce Type: replace-cross Abstract: Auto-bidding is a critical tool for advertisers to improve advertising performance. Recent progress has demonstrated that AI-Generated Bidding (AIGB), which learns a conditional generative planner from offline data, achieves superior performance compared to typical offline reinforcement learning (RL)-based auto-bidding methods. However, existing AIGB methods still face a performance bottleneck due to their inherent inability to explore beyond the static dataset with feedback. To address this, we propose AIGB-Pearl (Planning with \textbf{EvaluAtor via RL}), a novel method that integrates generative planning and policy optimization. The core of AIGB-Pearl lies in constructing a trajectory evaluator to assess the quality of generated scores and designing a provably sound KL-Lipschitz-constrained score-maximization scheme to ensure safe and efficient exploration beyond the offline dataset. A practical algorithm that incorporates the synchronous coupling technique is further developed to ensure the model regularity required by the proposed scheme. Extensive experiments on both simulated and real-world advertising systems demonstrate the state-of-the-art performance of our approach.

17.
arXiv (CS.AI) 2026-06-24

Invariant Graph Representations for Continuous-Time Dynamic Graphs Under Distribution Shifts

arXiv:2405.19062v2 Announce Type: replace-cross Abstract: Continuous-Time Dynamic Graphs (CTDGs) enable fine-grained modeling of evolving relational systems. However, most existing CTDG representation learning methods are tailored to in-distribution settings and exhibit limited robustness under out-of-distribution (OOD) shifts. Although recent causal approaches learn invariant representations via interventions, they are primarily designed for static or discrete-time graphs and become computationally prohibitive for CTDGs due to the combinatorial explosion of structural and temporal variations. To address these challenges, we propose CIR, a framework grounded in a novel structural causal model termed the ICCM. To avoid exhaustive interventions, we leverage the Normalized Weighted Geometric Mean (NWGM) to efficiently approximate interventional predictions. We further instantiate ICCM within a practical deep learning architecture that jointly captures invariant structural and temporal patterns through dedicated subgraph extractors, and maintains an environment memory bank to model distributional shifts across evolving contexts. Extensive experiments demonstrate that CIR consistently outperforms existing methods under diverse OOD scenarios.

18.
arXiv (CS.LG) 2026-06-18

Knockoffs-based False Discovery Rate Control and Simplification for Deep Neural Networks

arXiv:2606.04404v2 Announce Type: replace-cross Abstract: The deep neural network is a widely used framework in machine learning that has been widely applied in various fields. However, deep neural networks often involve a large number of parameters and inputs, many of which may be irrelevant to the goal or true output. These parameters and input variables not only increase computational complexity, but also contribute to additional computational cost. One solution to this problem is knockoff methods, which have proven successful in controlling false discovery rates in high-dimensional regression. Building on the knockoff methods and using the regularised neural network, this paper proposes three variable screening methods under the condition of controlling false discovery rates: one layer filter, multiple layers filter, and variable weight aggregation filter. In comparison with existing algorithms, we find that our algorithms show satisfactory performance.

19.
arXiv (CS.AI) 2026-06-11

On the Limits of LLM-as-Judge for Scientific Novelty Assessment

arXiv:2606.12071v1 Announce Type: cross Abstract: LLMs are increasingly used to generate and judge scientific ideas. This makes novelty evaluation a central problem. Full idea evaluation is difficult because it often requires judging a method, its feasibility, and its empirical promise. We therefore study a cleaner upstream object: the research question (RQ). RQ generation is a prerequisite for scientific ideation, and RQs can be compared against questions pursued in real papers. We introduce RQ-Bench, a benchmark built from recent arXiv papers. For each paper, we reconstruct author-anchored RQs from its cited background, gaps, and contributions. These RQs are not the only valid questions for the same background. They are author-anchored reference points for testing novelty judgments. We evaluate model-generated RQs with standalone LLM judging, comparative LLM judging, and human expert evaluation. LLM judges consistently rate model-generated RQs as highly novel, producing a novelty mirage; in comparative evaluations, this preference becomes even stronger. Domain experts, however, reach the opposite conclusion and prefer the author-anchored reference questions. We further find that many generated RQs are narrow or source-bound, a dimension that LLM judges often miss unless explicitly tested. Overall, the contradictory novelty evaluations between LLM judges and human experts raise a serious concern about the reliability of using LLMs to assess the scientific novelty of research questions.

20.
arXiv (CS.CV) 2026-06-16

LentiAvatar: Pseudo-Multiview Reconstruction and Subpixel Prism Rendering for Real-Time Stereoscopic Communication

Real-time stereoscopic video communication has long been a goal of immersive telepresence, yet practical systems still require specialized capture rigs or reduce remote users to a single portrait view. We present LentiAvatar, a Gaussian head-avatar system that connects monocular avatar capture with subpixel-encoded glasses-free lenticular display for real-time autostereoscopic communication. From a monocular portrait video, LentiAvatar reconstructs a controllable head avatar and optimizes it for the lateral viewing zones induced by the display. The method uses natural head turns as pseudo-multiview (PMV) supervision to constrain regions that are otherwise weakly observed in monocular training, including hair, ears, jaw contours, and neck boundaries. Reliable side frames are yaw-binned, aligned to virtual cameras, and supervised within a strict head-and-hair domain; contour-aware losses and staged regularization further suppress ghosting, alpha leakage, and depth instability while preserving lateral detail. At runtime, LentiAvatar renders 32 virtual views and encodes them into a 4K lenticular raster with calibrated subpixel-routing masks. The live-tracker prototype sustains 10.65 FPS, and a subject-specific distilled driver raises the same display pipeline to 38.49 FPS.

21.
arXiv (CS.CL) 2026-06-11

ChartFI: Benchmarking Faithfulness and Insightfulness of Chart Descriptions from Multimodal Large Language Models

Chart descriptions are essential for accessibility, cross-modal retrieval, and assisting readers in extracting insights from complex visualizations. As multimodal large language models (MLLMs) are increasingly adopted for automated chart description generation, a critical question arises: how faithfully and insightfully do these models actually describe charts? Current benchmarks fall short on two fronts: existing datasets consist of simple, homogeneous charts paired with shallow, fact-enumerating descriptions; and prevailing metrics fail to capture the multi-faceted nature of description quality. To address these gaps, we present the Chart Faithfulness and Insightfulness Benchmark (ChartFI-Bench). We first summarize four dimensions that characterize high-quality chart descriptions: factual accuracy, salient feature emphasis, domain-informed guidance, and chart-text complementarity. Guided by these dimensions, we construct a high-quality benchmark comprising 896 chart-description pairs, which feature visually complex charts and semantically rich descriptions. Furthermore, we design four aligned evaluation metrics – Faithfulness, Coverage, Informativeness, and Acuity – to systematically assess the quality of descriptions across these dimensions. Experiments conducted on mainstream MLLMs demonstrate the effectiveness of the proposed framework and reveal common weaknesses among existing models.

22.
arXiv (CS.AI) 2026-06-24

Deciphering Fingerprints of 3D Molecular Surfaces for Accurate Epitope Prediction

arXiv:2606.23830v1 Announce Type: cross Abstract: Molecular surfaces encode the geometric and physicochemical patterns that determine antibody-antigen recognition, central to epitope prediction. However, existing methods rely on sequences or backbone structures and struggle to capture discontinuous, surface-driven epitopes. This study presents SurfBind, a surface-centric learning framework for epitope prediction that operates directly on molecular surface representations. SurfBind integrates geometric and physicochemical cues through a Transformer-based architecture with patch-level surface modeling, binder-aware cross-attention, and a hierarchical coarse-to-fine prediction paradigm. Experiments on challenging epitope identification benchmarks, including SAbDab and DB5.5, demonstrate that SurfBind achieves state-of-the-art performance and strong generalization across unseen antibodies and conformational states, highlighting the value of interaction-aware surface modeling for understanding the crucial mechanisms of protein-protein interactions.

23.
arXiv (CS.CV) 2026-06-15

Optimizing Rank for High-Fidelity Implicit Neural Representations

Implicit Neural Representations (INRs) based on vanilla Multi-Layer Perceptrons (MLPs) are widely believed to be incapable of representing high-frequency content. This has directed research efforts towards architectural interventions, such as coordinate embeddings or specialized activation functions, to represent high-frequency signals. In this paper, we challenge the notion that the low-frequency bias of vanilla MLPs is an intrinsic, architectural limitation to learn high-frequency content, but instead a symptom of stable rank degradation during training. We empirically demonstrate that regulating the network's rank during training substantially improves the fidelity of the learned signal, rendering even simple MLP architectures expressive. Extensive experiments show that using optimizers like Muon, with high-rank, near-orthogonal updates, consistently enhances INR architectures even beyond simple ReLU MLPs. These substantial improvements hold across a diverse range of domains, including natural and medical images and novel view synthesis, with up to +9 dB PSNR over the same architecture. Code is available at (https://rank-inrs.github.io).

24.
arXiv (CS.CL) 2026-06-19

TSAssistant: A Human-in-the-Loop Agentic Framework for Automated Target Safety Assessment

Target Safety Assessment (TSA) requires systematic integration of genetic, transcriptomic, target homology, pharmacological, and clinical data to evaluate potential safety liabilities of therapeutic targets. This process is labor-intensive and expert-dependent, posing challenges in scalability and reproducibility. We present TSAssistant, a human-in-the-loop multi-agent framework that decomposes TSA report generation into a workflow of specialized subagents: Research Subagents that each ground and cite a single TSA domain, and Synthesis Subagents that integrate findings across domains. Subagents retrieve and synthesize evidence from curated biomedical sources through standardized tool interfaces and produce individually citable, evidence-grounded sections, with behavior shaped by a hierarchical instruction architecture that separates coordination logic from domain expertise and user intent. To complement these soft constraints, programmatic execution hooks and persistent memory stores enforce hard constraints across the workflow, while an interactive refinement loop allows experts to review and revise individual sections with full conversational context preserved across iterations. Rather than a single holistic comparison, we decompose report quality into reproducibility, evidential grounding, task-level accuracy, and controllability under expert oversight, finding high reproducibility and grounding, substantial agreement with the human reference, and net-positive expert-driven refinement.

25.
arXiv (CS.AI) 2026-06-12

Bag of Dims: Training-Free Mechanistic Interpretability via Dimension-Level Sign Patterns

arXiv:2606.12629v1 Announce Type: cross Abstract: We show that the standard basis of transformer hidden states already provides a training-free, architecture-general feature basis. Individual dimensions encode semantic content via their signs and confidence via their magnitudes, functioning as independent binary registers. We validate this Bag of Dims framework across three model families (Qwen 3.5-4B, Gemma 3-4B, Mistral 7B) through four progressive experiments. Sign patterns alone carry predictive content: replacing all magnitudes with unity achieves 72-93% top-5 next-token accuracy through the LM head, and pure Hamming scoring without any decoder reaches 80-90% top-4096. These sign patterns organize into semantic features: using a single-token type cache (one forward pass per vocabulary token, no context), we discover 175 categories via per-dimension sign consistency (mean AUC 0.80) from 50 anchors with zero training. A trained probe adds only +0.018 AUC and converges to axis-aligned weights, confirming negligible cross-dimension structure. This structure extends to attention: all 175 categories remain discoverable in K and V projections. On the write side, static FFN weight inspection links 20% of features to individual writer neurons (>0.70 agreement; random controls: 0%), with top-200 neuron coalitions achieving >0.70 agreement on 99.9% of prototypes via majority vote. Fully unsupervised discovery (random seeds, no labels) scales to 1500 features at 100% yield and 99% sparsity across all three models, with pairwise MI of 0.0014 bits confirming low inter-dimension coupling. These results establish that the standard basis already suffices for feature reading throughout the transformer compute pathway, requiring no training, no optimization, and no GPU-days beyond a single forward pass per vocabulary token.