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Authors: Li Wei ×
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01.
arXiv (CS.AI) 2026-06-19

StreamKL: Fast and Memory-Efficient KL Divergence for Boosting Attention Distillation

arXiv:2606.20005v1 Announce Type: cross Abstract: Attention distillation, which trains one attention distribution to match another by minimizing their Kullback-Leibler (KL) divergence, is widely used in knowledge distillation, model compression, continual learning, and sparse-attention LLM training. However, existing approaches materialize both attention distributions before computing the KL reduction, incurring $O(N_QN_K)$ memory and IO costs that become prohibitive at long context lengths. We present StreamKL, the first fused GPU primitive for attention KL divergence that eliminates this quadratic materialization. StreamKL derives a novel online formulation for the coupled two-distribution KL reduction, enabling a single one-pass forward kernel that streams query-key tiles through on-chip SRAM. For the backward pass, StreamKL recomputes attention probabilities tile-by-tile, avoiding storage of quadratic intermediates. We further design and implement efficient GPU kernels with dedicated optimizations. Experiments show StreamKL delivers up to $43\times$ and $14\times$ speedups over baseline methods in the forward and backward passes, respectively. Most importantly, StreamKL reduces the extra HBM footprint of attention distillation from $O(N_QN_K)$ to $O(1)$, enabling long-context distillation on a single GPU.

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

KEPLA: A Knowledge-Enhanced Deep Learning Framework for Accurate Protein-Ligand Binding Affinity Prediction

arXiv:2506.13196v5 Announce Type: replace Abstract: Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands, overlooking their valuable biochemical knowledge associated with binding affinity. To address this limitation, we propose KEPLA, a novel deep learning framework that explicitly integrates prior knowledge from Gene Ontology and ligand properties to enhance prediction performance. KEPLA takes protein sequences and ligand molecular graphs as input and optimizes two complementary objectives: (1) aligning global representations with knowledge graph relations to capture domain-specific biochemical insights, and (2) leveraging cross attention between local representations to construct fine-grained joint embeddings for prediction. Experiments on two benchmark datasets across both in-domain and cross-domain scenarios demonstrate that KEPLA consistently outperforms state-of-the-art baselines. Furthermore, interpretability analyses based on knowledge graph relations and cross attention maps provide valuable insights into the underlying predictive mechanisms.

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

Flash-GRPO: Efficient Alignment for Video Diffusion via One-Step Policy Optimization

Group Relative Policy Optimization has emerged as essential for aligning video diffusion models with human preferences, but faces a critical computational bottleneck: training a 14B parametered model typically demands hundreds of GPU days per experiment. Existing efficiency methods reduce costs through sliding window subsampling training timesteps, but fundamentally compromise optimization, exhibiting severe instability and failing to reach full trajectory performance. We present Flash-GRPO, a single-step training framework that outperforms full trajectory training in alignment quality under low computational budgets while substantially improving training efficiency. Flash-GRPO addresses two critical challenges: iso-temporal grouping eliminates timestep-confounded variance by enforcing prompt-wise temporal consistency, decoupling policy performance from timestep difficulty; temporal gradient rectification neutralizes the time-dependent scaling factor that causes vastly inconsistent gradient magnitudes across timesteps. Experiments on 1.3B to 14B parameter models validate Flash-GRPO's effectiveness, demonstrating substantial training acceleration with consistent stability and state-of-the-art alignment quality.

04.
arXiv (quant-ph) 2026-06-11

Generating function and Bloch representation for quantum Fisher tensor

arXiv:2603.04615v2 Announce Type: replace Abstract: The Uhlmann relative amplitude between two density matrices is shown to be a generating function, through which the quantum Fisher tensor that contains both the quantum Fisher information matrix and the mean Uhlmann curvature can be obtained via differentiation over system parameters. In the pure state limit, our generating function recovers that of the quantum geometric tensor proposed by Het\'{e}nyi and L\'{e}vay, and also clarifies the fidelity and phase between two quantum states as the generating functions of the quantum metric and Berry curvature, respectively. A generic expression for the quantum Fisher tensor in terms of the Bloch representation of density matrices is derived, which facilitates the calculation of the tensor, mean Uhlmann curvature, and geometric properties derived from the quantum Fisher information matrix. Canonical ensembles of spins are adopted to demonstrate our formalism, which reveals a constant Ricci scalar, a vacuum Einstein equation, and a cosmological constant on the 3D Euclidean manifold of the magnetic field.

05.
arXiv (CS.AI) 2026-06-17

Prototype-Based Semantic Consistency Alignment for Domain Adaptive Retrieval

arXiv:2512.04524v4 Announce Type: replace-cross Abstract: Domain adaptive retrieval aims to transfer knowledge from a labeled source domain to an unlabeled target domain, enabling effective retrieval while mitigating domain discrepancies. However, existing methods encounter several fundamental limitations: 1) neglecting class-level semantic alignment and excessively pursuing pair-wise sample alignment; 2) lacking either pseudo-label reliability consideration or geometric guidance for assessing label correctness; 3) directly quantizing original features affected by domain shift, undermining the quality of learned hash codes. In view of these limitations, we propose Prototype-Based Semantic Consistency Alignment (PSCA), a two-stage framework for effective domain adaptive retrieval. In the first stage, a set of orthogonal prototypes directly establishes class-level semantic connections, maximizing inter-class separability while gathering intra-class samples. During the prototype learning, geometric proximity provides a reliability indicator for semantic consistency alignment through adaptive weighting of pseudo-label confidences. The resulting membership matrix and prototypes facilitate feature reconstruction, ensuring quantization on reconstructed rather than original features, thereby improving subsequent hash coding quality and seamlessly connecting both stages. In the second stage, domain-specific quantization functions process the reconstructed features under mutual approximation constraints, generating unified binary hash codes across domains. Extensive experiments validate PSCA's superior performance across multiple datasets.

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

MetaResearcher: Scaling Deep Research via Self-Reflective Reinforcement Learning in Adversarial Virtual Environments

arXiv:2606.19893v1 Announce Type: new Abstract: Deep research agents have demonstrated remarkable capabilities in autonomous information gathering and synthesis, yet their training remains constrained by the static nature of simulated environments, the limits of fact-retrieval-only task designs, and the inefficiency of outcome-based reinforcement learning. In this work, we propose MetaResearcher, a novel framework that scales deep research agent training across four synergistic dimensions. First, we introduce an Evolving Virtual World that injects temporal dynamics and adversarial misinformation into the training environment, forcing agents to develop source credibility assessment and temporal conflict resolution skills. Second, we design Discovery-Oriented Tasks – including hypothesis generation and contradiction resolution – that transcend simple fact retrieval and push agents toward genuine research behaviors. Third, we propose a Self-Reflective Meta-Reward mechanism within the GRPO framework that jointly optimizes for answer correctness, search path efficiency, reflection depth, and tool call diversity, directly addressing the repetitive action loop problem observed in prior work. Fourth, we introduce a Heterogeneous Multi-Agent Swarm architecture comprising specialized Scout, Filter, and Synthesizer models that learn collaborative research strategies through coordinated reinforcement learning. Built upon the LiteResearcher infrastructure, MetaResearcher requires zero marginal API cost for training while targeting substantial improvements in both benchmark performance (GAIA, Xbench-DS) and epistemic robustness under adversarial conditions. We present the complete framework design, training methodology, and planned experimental validation.

07.
arXiv (CS.AI) 2026-06-16

Red-Teaming Agent Execution Contexts: Open-World Security Evaluation on OpenClaw

arXiv:2605.11047v2 Announce Type: replace-cross Abstract: Agentic language-model systems increasingly rely on mutable execution contexts, including files, memory, tools, skills, and auxiliary artifacts, creating security risks beyond explicit user prompts. This paper presents DeepTrap, an automated framework for discovering contextual vulnerabilities in OpenClaw. DeepTrap formulates adversarial context manipulation as a black-box trajectory-level optimization problem that balances risk realization, benign-task preservation, and stealth. It combines risk-conditioned evaluation, multi-objective trajectory scoring, reward-guided beam search, and reflection-based deep probing to identify high-value compromised contexts. We construct a 42-case benchmark spanning six vulnerability classes and seven operational scenarios, and evaluate nine target models using attack and utility grading scores. Results show that contextual compromise can induce substantial unsafe behavior while preserving user-facing task completion, demonstrating that final-response evaluation is insufficient. The findings highlight the need for execution-centric security evaluation of agentic AI systems. Our code is released at: https://github.com/ZJUICSR/DeepTrap

08.
bioRxiv (Bioinfo) 2026-06-17

Correcting spatial transcriptomics data affected by a prevalent transcript leakage problem across platforms, species, and tissues

Spatial transcriptomics has been widely applied to study the spatial distribution of cell types, cell states, and specific gene expression in tissue samples. However, we show that there is a prevalent transcript leakage problem in spatial transcriptomics data, where transcripts expressed by a cell diffuse to its neighborhood and are recurrently detected in the nearby cells. By analyzing published data sets, we show that this problem is general across data produced from different tissues and different species using different imaging-based and sequencing-based spatial transcriptomics platforms. It affects both upstream tasks such as expression quantification as well as downstream tasks such as cell-type annotation and detection of spatially-dependent gene expression. To tackle the transcript leakage problem, we propose a reference-free Bayesian model-based method, DeLeakage, which cleans up the data much more effectively than existing denoising methods. DeLeakage also improves cell-type annotation and avoids false detection of spatially dependent expression.

09.
arXiv (CS.AI) 2026-06-11

When Poison Fails After Retrieval: Revisiting Corpus Poisoning under Chunking and Reranking Pipelines

arXiv:2606.11265v1 Announce Type: cross Abstract: Retrieval-Augmented Generation (RAG) systems are vulnerable to corpus poisoning attacks that manipulate downstream model outputs through malicious knowledge injection. Existing studies mainly evaluate poisoning under simplified retrieval settings, overlooking practical RAG pipelines involving document chunking, dense retrieval, reranking, and grounded generation. In this paper, we revisit corpus poisoning under realistic multi-stage retrieval pipelines and show that many existing attacks substantially degrade after reranking despite achieving high retrieval-stage relevance. We identify retrieval granularity mismatch as a key reason for this failure: document-level adversarial signals are often fragmented during chunking, while rerankers favor locally coherent and answer-bearing passages rather than globally optimized semantic similarity. Based on this observation, we propose Chunk-aware and Rerank-Consistent Poisoning (CRCP), a poisoning framework that jointly optimizes retrieval relevance, reranker consistency, and chunk-boundary robustness. CRCP explicitly models chunking transformations during optimization to generate locally self-contained adversarial passages that remain effective under varying chunking configurations. Experiments on standard RAG benchmarks with multiple retrievers and rerankers show that existing poisoning methods are highly sensitive to chunk size and reranking strategies, whereas CRCP achieves substantially higher attack success rates and stronger robustness across realistic retrieval pipelines. Our findings highlight an important realism gap in current RAG security evaluation and suggest that poisoning in modern RAG systems should be studied as a multi-stage retrieval consistency problem rather than a retrieval-only problem.

10.
arXiv (CS.CV) 2026-06-17

Phys4D: Fine-Grained Physics-Consistent 4D Modeling from Video Diffusion

Recent video diffusion models have achieved impressive capabilities as large-scale generative world models. However, these models often struggle with fine-grained physical consistency, exhibiting physically implausible dynamics over time. In this work, we present Phys4D, a pipeline for learning physics-consistent 4D world representations from video diffusion models. Phys4D adopts a three-stage training paradigm that progressively lifts appearance-driven video diffusion models into physics-consistent 4D world representations. We first bootstrap robust geometry and motion representations through large-scale pseudo-supervised pretraining, establishing a foundation for 4D scene modeling. We then perform physics-grounded supervised fine-tuning using simulation-generated data, enforcing temporally consistent 4D dynamics. Finally, we apply simulation-grounded reinforcement learning to correct residual physical violations that are difficult to capture through explicit supervision. To evaluate fine-grained physical consistency beyond appearance-based metrics, we introduce a set of 4D world consistency evaluation that probe geometric coherence, motion stability, and long-horizon physical plausibility. Experimental results demonstrate that Phys4D substantially improves fine-grained spatiotemporal and physical consistency compared to appearance-driven baselines, while maintaining strong generative performance. Our project page is available at https://sensational-brioche-7657e7.netlify.app/

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

TuneAhead: Predicting Fine-tuning Performance Before Full Training Begins

arXiv:2606.17660v1 Announce Type: cross Abstract: Fine-tuning large language models (LLMs) is compute-intensive and error-prone: model performance depends sensitively on data quality and hyperparameter choices, and naïve runs can even degrade model performance. This raises a practical question:can we predict fine-tuning performance before committing to a full training run? We present TUNEAHEAD, a lightweight framework for pre-hoc prediction of fine-tuning performance. TUNEAHEAD encodes each candidate run as a meta-feature vector that combines static dataset descriptors with dynamic probe features from a short standardized probe. A predictor maps these features to performance estimates, while SHAP-based attributions provide interpretable diagnostics that reveal which specific features drive the prediction. Across 1,300+ fine-tuning runs on Qwen2.5-7B-Instruct, TUNEAHEAD consistently outperforms strong baselines such as Early-Stop Extrapolation and ProxyLM. On a held-out test set of 370 runs, TUNEAHEAD achieves an RMSE of 1.47 percentage points and places 95.1% of predictions within +3/-3 percentage points of the true score. These accurate continuous predictions support practical go/no-go screening policies that can reduce unnecessary full fine-tuning while retaining most promising runs.

12.
arXiv (CS.CV) 2026-06-18

Data-Forcing Distillation: Restoring Diversity and Fidelity in Few-Step Video Generation

Recent progress has shown promise in distilling multi-step video diffusion models into efficient few-step students. Among them, Distribution Matching Distillation (DMD) and its successor DMD2 achieved strong generation quality and fast convergence. However, due to the nature of the reverse Kullback–Leibler (KL) objective, these methods exhibit two persistent failure modes: a substantial drop in sample diversity, and visibly over-saturated outputs that deviate from real-video appearance. In this work, we propose Data-Forcing Distillation (DFD), a simple post-training framework that restores diversity and fidelity in DMD with only a single-line of code change. At its core is the teacher score discrepancy to guide the student toward the real-data distribution, pulling it to missing modes (mitigating mode collapse) and away from problematic modes absent in real data (avoiding over-saturation). We provide an in-depth theoretical analysis of our framework and validate our approach on text-to-video, image-to-video, and autoregressive video generation. With only 100–300 steps of finetuning, DFD effectively restores diversity and fidelity on both Wan2.1-1.3B and Cosmos-Predict2.5-2B model, resolving the over-saturation artifacts with significantly better video dynamics and appearance, and even outperforms the teacher model.

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

Enhancing Fatigue Detection through Heterogeneous Multi-Source Data Integration and Cross-Domain Modality Imputation

arXiv:2507.16859v5 Announce Type: replace-cross Abstract: Fatigue detection for human operators is important in safety-related applications such as aviation, mining, and long-haul transport. Reliable estimation of operator fatigue can support timely warnings, adaptive task scheduling, takeover reminders, and other safety-management decisions in human-machine systems. However, the effectiveness of these functions depends on whether fatigue-related signals can be reliably captured in the deployment environment. While many studies have shown the value of high-fidelity sensors in controlled laboratory environments, their performance often degrades when used in real-world settings because of noise, lighting conditions, and field-of-view constraints, thereby limiting their practical use. This paper formalizes a deployment-oriented setting for real-world fatigue detection, where high-quality sensors are often unavailable in practical applications. To address this issue, we use knowledge from heterogeneous source domains, including high-fidelity sensors that are difficult to deploy in the field but commonly used in controlled environments, to assist fatigue detection in the real-world target domain. Based on this idea, we design a heterogeneous and multi-source fatigue-detection framework that uses the available modalities in the target domain while leveraging diverse configurations in the source domains through cross-domain modality imputation based on shared modalities.

14.
arXiv (CS.LG) 2026-06-16

A Gradient Perspective on RLVR Stability and Winner Advantage Policy Optimization

arXiv:2606.16154v1 Announce Type: new Abstract: Reinforcement learning with verifiable rewards (RLVR) improves language-model reasoning, but GRPO-style optimization remains prone to collapse. We analyse this instability through token-level gradient dynamics, deriving a taxonomy that predicts how updates affect next-token probabilities and entropy. The taxonomy shows that stability depends jointly on the advantage sign and token distribution under the current policy. Motivated by this finding, we propose Winner Advantage Policy Optimization (WAPO), a simple online clipped policy-gradient objective that updates only on positive-advantage completions. Across mathematical reasoning and multi-hop QA benchmarks, WAPO improves training stability and matches or outperforms baselines across multiple model families. Full code can be found at https://github.com/layer6ai-labs/wapo.

15.
arXiv (CS.CL) 2026-06-16

When the Same Musical Knowledge Forgets Differently: A Clean Probe of Pathway-Dependent Forgetting

A model can learn that the piano piece Für Elise is calm and reflective by listening to the audio or by reading a text description, but does it matter which route that knowledge took when it is later at risk of being forgotten? Forgetting research in multimodal models measures what knowledge is lost under adaptation, yet has not asked whether acquisition route affects how easily that knowledge is forgotten. We call this untested premise the Pathway-Invariant Assumption. Music understanding enables a clean test because a music clip and a canonical text description can be aligned to the same perceptual content, allowing the same knowledge unit to enter a model through listening or reading while the target remains fixed. Across multiple architecturally distinct audio-language models, we observe a consistent asymmetry: text-pathway knowledge is forgotten more than matched audio-pathway knowledge under identical adaptation pressure. To attribute this effect to route rather than confounds, we introduce the Paired Pathway Controlled Protocol (PPCP), a three-phase design that establishes matched pathway baselines, activates both pathways under symmetric supervision on the same knowledge pool, and applies identical forgetting pressure to both pathways. The gap is stable across models and gain-controlled analyses, persists when contradictory overwrite is replaced by correct-label cross-domain learning, remains under single-modality pressure, and is not removed by lightweight replay. Two independent routing-depth controls confirm that the effect is not explained by architectural depth, pointing to input representation as the dominant factor. Under PPCP, our results demonstrate that forgetting is highly route-dependent, establishing acquisition route as a new analytical dimension for forgetting research and multimodal system design.

16.
arXiv (CS.CL) 2026-06-12

Unsafer in Many Turns: Benchmarking and Defending Multi-Turn Safety Risks in Tool-Using Agents

LLM-based agents are becoming increasingly capable, yet their safety lags behind. This creates a gap between what agents can do and should do. This gap widens as agents engage in multi-turn interactions and employ diverse tools, introducing new risks overlooked by existing benchmarks. To systematically scale safety testing into multi-turn, tool-realistic settings, we propose a principled taxonomy that transforms single-turn harmful tasks into multi-turn attack sequences. Using this taxonomy, we construct MT-AgentRisk (Multi-Turn Agent Risk Benchmark), the first benchmark to evaluate multi-turn tool-using agent safety. Our experiments reveal substantial safety degradation: the Attack Success Rate (ASR) increases by 16% on average across open and closed models in multi-turn settings. To close this gap, we propose ToolShield, a training-free, tool-agnostic, self-exploration defense: when encountering a new tool, the agent autonomously generates test cases, executes them to observe downstream effects, and distills safety experiences for deployment. Experiments show that ToolShield effectively reduces ASR by 30% on average in multi-turn interactions. Our code is available at https://github.com/CHATS-lab/ToolShield.

17.
arXiv (CS.AI) 2026-06-12

CMI-RewardBench: Evaluating Music Reward Models with Compositional Multimodal Instruction

arXiv:2603.00610v3 Announce Type: replace-cross Abstract: While music generation models have evolved to handle complex multimodal inputs mixing text, lyrics, and reference audio, evaluation mechanisms have lagged behind. In this paper, we bridge this critical gap by establishing a comprehensive ecosystem for music reward modeling under Compositional Multimodal Instruction (CMI), where the generated music may be conditioned on text descriptions, lyrics, and audio prompts. We first introduce CMI-Pref-Pseudo, a large-scale preference dataset comprising 110k pseudo-labeled samples, and CMI-Pref, a high-quality, human-annotated corpus tailored for fine-grained alignment tasks. To unify the evaluation landscape, we propose CMI-RewardBench, a unified benchmark that evaluates music reward models on heterogeneous samples across musicality, text-music alignment, and compositional instruction alignment. Leveraging these resources, we develop CMI reward models (CMI-RMs), a parameter-efficient reward model family capable of processing heterogeneous inputs. We evaluate their correlation with human judgment scores on musicality and alignment on CMI-Pref along with previous datasets. Further experiments demonstrate that CMI-RM not only correlates strongly with human judgments, but also enables effective inference-time scaling via top-k filtering. Code is available at GitHub (https://github.com/Haiwen-Xia/CMI-RewardBench). Model weights: CMI-RM (https://huggingface.co/HaiwenXia/CMI-RM). Datasets: CMI-Pref-Pseudo (https://huggingface.co/datasets/HaiwenXia/cmi-pref-pseudo) and CMI-Pref (https://huggingface.co/datasets/HaiwenXia/cmi-pref)

18.
arXiv (CS.AI) 2026-06-19

Agentic Electronic Design Automation: A Handoff Perspective

arXiv:2606.19795v1 Announce Type: cross Abstract: Electronic design automation (EDA) is inherently multi-stage and handoff-heavy. Design artifacts, flow scripts, and engineering decisions cross tool, session, and organizational boundaries before final implementation, signoff, or release. Each transfer carries explicit and implicit requirements that may not be fully captured by stage-local checks. LLM-based agents now invoke EDA tools directly, embed retrieved knowledge in executable scripts, and hand off state across sessions and stages. Once their outputs condition downstream engineering decisions, the transferred object must satisfy a handoff contract and meet the assumptions of its next consumer. This survey introduces handoff validity as its organizing principle. A handoff is valid when the transferred object satisfies the consumer's acceptance conditions and carries sufficient context, evidence, and provenance for downstream use. We review 82 systems and classify them into three boundary classes. Stage-Bound systems establish validity within a single EDA stage or bounded verification task. Flow-Bound systems preserve coherent workflow state across tools, invocations, and sessions. Organization-Bound systems maintain source grounding, provenance, scope, and admissibility across knowledge and authority boundaries. For each class, we analyze handoff contracts, handoff objects, coordination mechanisms, and open questions. These analyses motivate a five-layer EDA agent communication protocol (EACP), covering the agent discovery, agent message, tool invocation, workflow orchestration, and security and IP protocols. We aim to provide a common vocabulary and research agenda for trustworthy agentic EDA.

19.
arXiv (CS.CL) 2026-06-15

Multimodal Speaker Identification in Classroom Environments

Automated analysis of K-12 classroom dynamics faces challenges due to background noise and variable child speech, often confounding acoustic-only models. This study evaluates a multimodal speaker identification framework anchoring acoustic embeddings with LLM-derived semantic context. Using a subset of the EDSI dataset (8 math classrooms, N = 2,801 utterances), we found an acoustic baseline (ECAPA-TDNN) achieved only 39.0% accuracy. By integrating transcript-based "contextual anchoring" into a gradient boosting classifier, our multimodal approach raised student identification to 50.3%. Performance also improved for utterances over 5 seconds, reaching 76.9% accuracy (vs. 64.9% baseline) with a 90.9% Top-3 accuracy. Additionally, the model distinguished teacher vs. student roles with 99.3% accuracy. This approach advances the feasibility of automated feedback systems capable of considering individual student participation, a crucial step for supporting equitable instruction at scale.

20.
arXiv (CS.CL) 2026-06-12

SupraBench: A Benchmark for Supramolecular Chemistry

Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Benchmark, called SupraBench, to evaluate LLMs in chemistry reasoning. Specifically, we design four fundamental tasks, i.e., binding affinity prediction, top-binder selection, solvent identification, and host-guest description, plus an auxiliary vision-based task for molecular identification. We also release SupraPMC, a curated 16M-token corpus of Supramolecular chemistry articles distilled from Europe PMC, to support the adaptation to the supramolecular domain. We benchmark a broad range of open and proprietary LLMs and find that LLMs leave substantial headroom across all tasks. Domain adaptation pretraining over SupraPMC transfers cleanly to in-distribution regression but trades off against strict letter-format output. Moreover, the difficulty profile differs sharply across task families, revealing distinct failure modes that indicate specific gaps in current supramolecular chemistry reasoning. Our source codes and benchmark datasets are available at https://github.com/Tianyi-Billy-Ma/SupraBench.

21.
arXiv (CS.AI) 2026-06-17

AnalogFed: Privacy-Preserving Discovery of Analog Circuits at Scale with Federated Generative AI

arXiv:2507.15104v2 Announce Type: replace-cross Abstract: Recent advances in generative AI (GenAI) have shown transformative potential for modern hardware design. However, existing GenAI-driven approaches fall short of enabling large-scale electronic design automation (EDA) due to the proprietary and siloed nature of hardware datasets, which cannot be centralized for model training. Achieving at-scale GenAI-driven EDA, therefore, requires a novel privacy-preserving framework that can leverage distributed data without compromising confidentiality. This work introduces AnalogFed, the first privacy-preserving framework for large-scale analog circuit topology discovery using federated learning (FedL) and GenAI. AnalogFed establishes the feasibility of collaborative analog topology design while addressing key security challenges: it mitigates membership inference attacks (MIAs) through a novel input perturbation strategy based on dummy token injection, and defends against model inversion attacks with customized, efficient homomorphic encryption. Extensive experiments demonstrate AnalogFed's effectiveness and efficiency, achieving strong privacy protection without degrading model utility. This framework lays the foundation for scalable, multi-party collaboration in next-generation hardware design automation with GenAI.

22.
arXiv (CS.CL) 2026-06-12

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets – CreativeBench-Combo and CreativeBench-Explore – the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

23.
arXiv (CS.AI) 2026-06-17

Timestamp-Aware Spatio-Temporal Graph Contrastive Learning for Network Intrusion Detection

arXiv:2606.17109v1 Announce Type: cross Abstract: Given their effectiveness in modeling the relational structure among network traffic flows, graph neural networks (GNNs) have been widely adopted in network intrusion detection systems (NIDSs). However, most existing GNN-based NIDS approaches focus on the relational structure of traffic flows, and treat them as temporally independent, which limits their ability to cope with evolving attack behaviors. Moreover, their reliance on supervised or semi-supervised learning often restricts generalization to unseen attacks. To address these limitations, we propose a novel self-supervised GNN-based framework. To the best of our knowledge, the proposed model is among the first self-supervised GNN-based NIDS models to explicitly leverage real timestamps, which provides faithful temporal dependencies for representation learning. We first construct a series of temporal graphs from network traffic flows according to their timestamps, and then employ an E-GraphSAGE and LSTM based encoder to fully extract temporal information and spatial dependencies of network traffic, without introducing time-costly attention mechanisms. A multi-view graph contrastive learning (GCL) scheme is introduced, where temporal, spatial, and feature contrasts are jointly performed to capture temporal continuity, preserve structural consistency, and improve the generalization and robustness of the learned representations, respectively. In addition, a gradient-norm-based adaptive weighting strategy is designed to optimize the contrastive loss weights. Experimental results on four representative NIDS datasets with real timestamps demonstrate that our method significantly outperforms existing self-supervised approaches and achieves performance comparable to the supervised state-of-the-art GNN method, while maintaining high computational efficiency.

24.
arXiv (CS.CL) 2026-06-16

Tyler: Typed Latent Reasoning for Language Models – When to Think, What to Compute, and How Much to Allocate

Chain-of-thought (CoT) prompting improves reasoning in large language models (LLMs) by externalizing intermediate computation as discrete text tokens, but this textual interface also introduces redundancy and inference overhead. Latent reasoning offers a promising alternative by carrying part of the computation in continuous representations. However, existing methods typically predefine when latent computation is invoked and how it is allocated during decoding, leaving a key problem unresolved: when to invoke latent computation, what type of computation to perform, and how much budget to allocate. We propose Typed Latent Reasoning (Tyler), a typed and budget-aware framework for latent reasoning during autoregressive decoding. Tyler learns a policy that, at each decoding step, chooses between emitting a text token and switching to a latent computation module specialized for a particular reasoning function. Once invoked, an operator maps the current reasoning state into latent tokens that support global planning, local state updates, or reusable procedural abstraction. Across extensive experiments on three backbone LLMs, Tyler improves accuracy by up to 14.49 points over CoT and by up to 4.30 points over the strongest competing baseline. It further generalizes across diverse reasoning domains and achieves the best final-stage performance with the lowest forgetting.

25.
arXiv (CS.CL) 2026-06-16

PhoneHarness: Harnessing Phone-Use Agents through Mixed GUI, CLI, and Tool Actions

Phone agents are increasingly expected to complete real mobile workflows rather than merely predict the next screen action. However, much of the current mobile-agent literature still evaluates agents primarily as GUI controllers that observe a screen, emit taps and swipes, and are scored by target app state. Real phone-use tasks are broader: they require deciding when to use app GUIs, device-side commands, or structured tools, while leaving evidence that the intended side effect actually occurred. We introduce PhoneHarness, a mixed-action benchmark and execution harness for studying phone-use agents on verifiable mobile workflows. PhoneHarness runs a device-side agent loop over GUI, CLI, and host-side tool actions, combining deterministic action routing with bounded GUI delegation and auditable execution traces. Its benchmark, PhoneHarness Bench, evaluates whether agents complete tasks with observable side effects, not only whether they produce plausible final answers. On the annotated evaluation split, PhoneHarness reaches a 75.0% pass rate, outperforming the strongest non-PhoneHarness settings by 12.9 percentage points. PhoneHarness and PhoneHarness Bench therefore play distinct but mutually dependent roles: the harness makes mixed phone workflows executable, while the benchmark measures whether agents can use that harness reliably and safely. Our findings suggest that reliable phone automation depends on action-surface routing and verifiable execution, not only visual GUI control.