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01.
arXiv (CS.LG) 2026-06-19

The Representational Limit of Scalar Interactions: An Interventional Decomposition

arXiv:2606.19410v1 Announce Type: cross Abstract: Signed pairwise interaction scores fundamentally conflate uniqueness (U), redundancy (R), and synergy (S). We prove this on a minimal 3-way XOR structural causal model: faithful indices such as Shapley-Taylor return zero per pair, whereas projective indices such as Shapley Interaction spread the third-order effect into pair scalars that conflate the three mechanisms. We introduce Stochastic Hi-Fi, a post-hoc, retraining-free predictability decomposition that estimates per-feature U/R/S profiles by interventional masked inference. The estimator provides exact interventional semantics, finite-sample Monte Carlo bounds, strict variance reduction from coupled diamond sampling, and uniform finite-vocabulary convergence. Across tabular SCMs, Stochastic Hi-Fi recovers structure missed by scalar baselines (up to 411x larger interaction-magnitude recovery ratios). It also separates redundant and synergistic heads in the GPT-2 IOI circuit. On NIH ChestX-ray14, Stochastic Hi-Fi matches GradCAM on Pointing Game and improves substantially on Deletion AUC.

02.
arXiv (CS.AI) 2026-06-12

A Three-Layer Framework for AI in Scientific Discovery

作者:

arXiv:2606.13566v1 Announce Type: new Abstract: Current discussions of AI in scientific discovery are often dominated by two visible capabilities: search over existing knowledge and execution through optimization, simulation, and automation. Both are important, but neither fully captures the central act of discovery: the formation and evolution of models. This paper proposes a three-layer view of AI in discovery. Layer 1 is search and retrieval by large language models. Layer 2, as the main innovation of this paper, is model formation through qualitative reasoning: the capacity to recognize when a current framework is structurally inadequate and to understand the problem within a broader representational space, not through trial and error, but through structural insight into what is missing and where it can be found. Layer 3 is execution, optimization, and refinement. The main claim is that Layer 2 is both the most important and the least developed. Search without model formation remains confined to inherited frameworks, while execution without conceptual revision only amplifies an existing formulation. We illustrate Layer 2 reasoning through three case studies: S. S. Chern's intrinsic proof of the Gauss-Bonnet theorem, the resolution of the Nesterov Accelerated Gradient convergence problem via Lyapunov functions, and the autonomous disproof of the Erdos unit distance conjecture by OpenAI in 2026. Each case exhibits the same structural signature: a framework that had become inadequate, a missing conceptual object, and a resolution found in an unexpected neighboring field.

03.
arXiv (CS.LG) 2026-06-12

Net-Ev$^2$: A Generative Simulator for Network Event Evolution

arXiv:2606.12494v1 Announce Type: new Abstract: Reducing real-world trial and error has long been a central goal of decision making, and generative simulators advance this goal by modeling the evolution of future states. An even more challenging yet meaningful task is simulating how disturbance events (e.g., accidents) propagate their impacts across real-world networks. The existing approaches fall short of modeling both structured attributes and unstructured semantics of events, and capturing topological structures in simulating network event evolution. Therefore, we are motivated to propose Net-Ev$^2$ ($\underline{Net}$work $\underline{Ev}$ent $\underline{Ev}$olution), a novel generative simulator that jointly leverages event cues while preserving network topology in simulations. Specifically, the framework consists of two stages, namely structure-guided masked pre-training and topology-aware diffusion process, which is achieved by U-Net-like graph downsampling and upsampling during denoising. At inference time, Net-Ev$^2$ can generate simulations using natural-language event input only, with greater flexibility for practical usage. Furthermore, we introduce Net-Ev$^2$-6.5M, a multimodal benchmark of aligned event and network traffic data across four large-scale road networks, as well as a new topology-aware metric, namely JL-MMD, to evaluate topological fidelity in generated network dynamics. Extensive experiments demonstrate the state-of-the-art performance and strong generalization ability of Net-Ev$^2$. Code is made available at https://github.com/Guangyu4/Net-Ev-2.

04.
Nature (Science) 2026-06-17

Spatial distribution of the proteome in the human body and in cancers

作者:

A detailed, spatially resolved quantitative map of the human proteome is essential for a deeper understanding of human biology and disease1–4. Here we present a comprehensive human proteomic landscape, generated by profiling more than 13,000 proteins across 2,856 samples using data-independent acquisition mass spectrometry. The dataset spans 58 major tissue types, 251 specific tissue subtypes and 25 distinct carcinomas. This resource enables the depiction of spatially resolved proteome trajectories across tissue types and physiological states, including fetal, tumour, adjacent non-tumour and healthy adult tissue, thereby providing insight into both developmental processes and oncogenic progression. Furthermore, quantitative proteomics comparisons across diverse tissue types and states facilitate the indication of organ-specific toxicity, the identification of repurposable anticancer drug candidates and the prioritization of therapeutic targets for cancers. This study establishes a quantitative resource for navigating the proteome in the human body and in common cancers. A spatially resolved map of the human proteome across a variety of healthy tissues and cancers provides wide-ranging insights in developmental biology and oncology, and could aid the identification of therapeutic targets and development of treatments for cancer.

05.
arXiv (CS.CV) 2026-06-25

RoboAtlas: Contextual Active SLAM

We present RoboAtlas, a contextual Active SLAM framework that adaptively balances geometric exploration and semantic reasoning using a scalable 3D semantic mapping system, OpenRoboVox. RoboAtlas integrates frontier exploration, global semantic-map reasoning, and egocentric VLM-based reasoning through a contextual multi-armed bandit that transitions from exploration to semantically guided navigation as scene understanding improves. We evaluate the system in simulation and on a Unitree Go2 robot in large-scale real-world environments exceeding 1800 m2 with approx. 30k mapped semantic instances, achieving a 100% task success rate. On the GOAT-Bench "Val Unseen" benchmark, RoboAtlas achieves state-of-the-art performance with highest reported success rate (SR) of 90.6%, using GPT-4o, improving over the strongest prior baseline by 17.8 percentage points in SR. Using the much smaller Qwen2.5-VL-7B model, it still achieves 88.8% SR, outperforming all baselines using GPT-4o in SR, and revealing the importance of the information gained by our semantic mapping framework over simply replacing the underlying foundation model. The results demonstrate that grounding foundation models with large-scale 3D semantic maps enables robust and efficient contextual Active SLAM.

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

ASRU: Activation Steering Meets Reinforcement Unlearning for Multimodal Large Language Models

Multimodal large language models (MLLMs) may memorize sensitive cross-modal information during pretraining, making machine unlearning (MU) crucial. Existing methods typically evaluate unlearning effectiveness based on output deviations, while overlooking the generation quality after unlearning. This can easily lead to hallucinated or rigid responses, thereby affecting the usability and safety of the unlearned model. To address this issue, we propose ASRU, a controllable multimodal unlearning framework that incorporates generation quality as a core evaluation objective. ASRU first induces initial refusal behavior through activation redirection, and then optimizes fine-grained refusal boundaries using a customized reward function, thereby achieving a better trade-off between target knowledge unlearning and model utility. Experiments on Qwen3-VL show that ASRU significantly improves unlearning effectiveness (+24.6%) on average and generation quality (5.8X) on average while effectively preserving model utility, using only a small amount of retained supervision data.

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

Multi-Agent Framework for Audit Risk Assessment with Explicit Uncertainty and Evidence Conflict Modeling

arXiv:2606.15640v1 Announce Type: new Abstract: Audit risk assessment increasingly benefits from combining heterogeneous evidence sources, yet existing approaches typically produce point predictions without quantifying how well different evidence streams agree. We propose UMAR (Uncertainty-Aware Multi-Agent Risk Assessment), a framework that employs three specialized agents: an MD&A Text Agent, a Financial Ratio Agent, and a CAM Agent, each producing independent risk scores with calibrated uncertainty estimates. An Uncertainty Aggregator based on Dempster-Shafer evidence theory fuses these scores while explicitly measuring inter-agent conflict. We evaluate UMAR on a U.S. dataset of 3,200 firm-year observations from SEC 10-K filings (2019-2023), with financial restatement as the target label. Experimental results show that UMAR achieves an AUROC of 0.782 and a PR-AUC of 0.341, outperforming logistic regression, XGBoost, FinBERT, and single-agent and dual-agent LLM baselines. UMAR attains the lowest expected calibration error (ECE = 0.052) among all methods and identifies evidence-conflict patterns that correlate with actual restatement risk, offering auditors potentially actionable and interpretable risk signals.

08.
arXiv (CS.CL) 2026-06-11

Soft-Prompt Tuning for Fair and Efficient LLM Benchmark Evaluation

Benchmark scores often misrepresent a large language model's (LLM's) knowledge, because they rely, e.g., on the model's ability to follow specific formatting requirements. This especially penalizes base models that may know the correct answers but lack the ability – typically introduced in post-training – to structure them as instructed. To overcome this, we propose soft-prompt tuning, an efficient, fair, and architecture-agnostic model evaluation. By optimizing only 10 soft-prompt vectors (roughly 0.0006% parameters for a 7B model) over a short tuning period, we adapt models to specific benchmark formats, closing gaps in format-following and ensuring that underlying knowledge is accurately reflected in benchmark scores. This allows one to fairly compare different base models – trained with various pre-training recipes – on benchmarks without the need for full post-training. We evaluated soft-prompt tuning across 7 models and 7 datasets. The results show that (a) soft-prompt tuning saturates format-following within 80 steps (~640 samples) making it highly efficient, (b) soft-prompt tuning significantly outperforms zero- and few-shot prompting, surfacing base model knowledge that standard prompting misses, that (c) even post-trained models can benefit from soft-prompts to maximize format compliance, and that (d) soft-prompted base model performance predicts post-trained model rankings more reliably than zero- and few-shot baselines, offering a low-cost proxy for downstream model quality. Our contributions include (1) metrics which disentangle format-following and knowledge accuracy, (2) a fairer benchmarking protocol of LLM knowledge, and (3) a cost- and memory-effective recipe to identify optimal pre-training strategies early in LLM development.

09.
arXiv (CS.LG) 2026-06-18

A physical adaptive material motor unit neural network: a hygromorph composite material machine

arXiv:2606.18275v1 Announce Type: cross Abstract: Advances in novel materials science enable structures to function as intelligent machines by embedding memory and learning capabilities directly into materials. Our work introduces a physical adaptive material motor unit neural network,leveraging a new generation of controllable actuators composed of wood- and carbon black-based composites, sensitive to temperature and relative humidity. These material actuators are assembled into a motor unit-like structure inspired by muscle contraction trigger, forming an intelligent machine capable of dynamic shading control that can be used, for example, in buildings. The machine is governed by a neural network trained on over 350 experimental data points collected under diverse environmental conditions. By establishing a new data-aware backpropagation training, we show that the machine predicts shading responses and learns to predict appropriate behaviour incrementally as the database expands. We also demonstrate the ability of the machine to optimise configurations to achieve similar shading outputs under two distinct conditions.

10.
arXiv (CS.AI) 2026-06-15

Metabolic cost of information processing in Poisson variational autoencoders

arXiv:2602.13421v2 Announce Type: replace-cross Abstract: Computation in biological systems is fundamentally energy-constrained, yet standard theories of computation treat energy as freely available. Here, we argue that variational free energy minimization under a Poisson assumption offers a principled path toward an energy-aware theory of computation. Our key observation is that the Kullback-Leibler (KL) divergence term in the Poisson free energy objective becomes proportional to the prior firing rates of model neurons, yielding an emergent metabolic cost term that penalizes high baseline activity. This structure couples an abstract information-theoretic quantity – the *coding rate* – to a concrete biophysical variable – the *firing rate* – which enables a trade-off between coding fidelity and energy expenditure. Such a coupling arises naturally in the Poisson variational autoencoder (P-VAE) – a brain-inspired generative model that encodes inputs as discrete spike counts and recovers a spiking form of *sparse coding* as a special case – but is absent from standard Gaussian VAEs. To demonstrate that this metabolic cost structure is unique to the Poisson formulation, we compare the P-VAE against Grelu-VAE, a Gaussian VAE with ReLU rectification applied to latent samples, which controls for the non-negativity constraint. Across a systematic sweep of the KL term weighting coefficient $\beta$ and latent dimensionality, we find that increasing $\beta$ monotonically increases sparsity and reduces average spiking activity in the P-VAE. In contrast, Grelu-VAE representations remain unchanged, confirming that the effect is specific to Poisson statistics rather than a byproduct of non-negative representations. These results establish Poisson variational inference as a promising foundation for a resource-constrained theory of computation.

11.
arXiv (CS.AI) 2026-06-25

BCoughBench: Benchmarking Respiratory Acoustic Foundation Models Under Body-Coupled Wearable Sensor Conditions

arXiv:2606.25116v1 Announce Type: cross Abstract: Respiratory acoustic foundation models (FMs) are benchmarked exclusively on smartphone recordings, yet clinical deployment increasingly targets body-coupled (BC) wearables whose sensors attenuate high-frequency content through tissue and bone, leaving FM reliability uncharacterised. We introduce BCoughBench, evaluating five FMs (OPERA-CT/CE/GT, HeAR, M2D+Resp) on nine classification tasks (AUROC, sensitivity at 95% specificity, Expected Calibration Error) and three age regression tasks (MAE vs. a mean-predictor baseline) across five EBEN-simulated BC sensor conditions on five labeled cough datasets. Mean AUROC declines from 0.785 (smartphone) to 0.689-0.723, degrading most under temple vibration pickup ($\Delta$ = -0.096) and least under the soft in-ear ($\Delta$ = -0.062). No FM meets the clinical sensitivity threshold (Se@Sp95 $\geq$ 0.20) on most disease tasks under any BC sensor. Sex classification on the CIDRZ cohort collapses (AUROC 0.954 to 0.596-0.628, $\Delta$ = -0.341) while COVID detection is nearly unaffected ($\Delta$ = -0.004). Age regression is robust, improving under the forehead accelerometer on CoughVID (MAE 9.61 to 8.97 yr); HeAR leads on regression and demographic tasks, M2D+Resp on disease and characteristic tasks. BCoughBench provides a reproducible framework for FM evaluation under wearable conditions.

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

EvoArena: Tracking Memory Evolution for Robust LLM Agents in Dynamic Environments

Large language model (LLM) agents have achieved strong performance on a wide range of benchmarks, yet most evaluations assume static environments. In contrast, real-world deployment is inherently dynamic, requiring agents to continually align their knowledge, skills, and behavior with changing environments and updated task conditions. To address this gap, we introduce EvoArena, a benchmark suite that models environment changes as sequences of progressive updates across terminal, software, and social domains. We further propose EvoMem, a patch-based memory paradigm that records memory evolution as structured update histories, enabling agents to reason about environmental evolution through changes in their memory. Experiments show that current agents struggle on EvoArena, achieving an average accuracy of 39.6% across evolving terminal, software, and social-preference domains. EvoMem consistently improves performance, yielding an average gain of 1.5% on EvoArena and also improving standard benchmarks such as GAIA and LoCoMo by 6.1% and 4.8%. Beyond individual tasks, EvoMem further improves chain-level accuracy by 3.7% on EvoArena, where success requires completing a consecutive sequence of related evolutionary subtasks. Mechanistic analysis shows that EvoMem improves evidence capture in the memory, indicating better preservation of complete evolving environment states. Our results highlight the importance of modeling evolution in both evaluation and memory for reliable agent deployment.

13.
arXiv (CS.CL) 2026-06-11

Improving Cross-Format Robustness in Language Models with Multi-Format Training

Large language models often remain sensitive to answer format: a question solved correctly in one form may fail in another semantically equivalent form. To study this gap, we define cross-format robustness as the extent to which a model answers the same underlying question consistently across formats. We then compare full-format training with FormatMix, which expands only a subset of training items into multiple equivalent formats using either random or targeted selection. Across GLM4 and Llama-3.1, multi-format supervision consistently improves both task performance and cross-format robustness, whereas Multiple-choice question (MCQ)-only supervision alone brings little benefit and can even reduce robustness. We further find that expanding only about 30% of the training set into multiple formats often recovers most of the gain from full-format training, and this effect appears across the model families and sizes we study. These results suggest that format diversity, rather than additional supervision alone, is the key driver of robustness. That lightweight multi-format augmentation is a practical way to make LLMs less sensitive to answer format without changing the base model.

14.
arXiv (CS.CV) 2026-06-15

RT-VLA: Real-Time Vision-Language-Action Models via Knowledge Distillation

Vision-Language-Action (VLA) models have shown strong potential for end-to-end autonomous driving by jointly modeling visual perception, language reasoning, explainability and action prediction. However, their large vision-language backbones and reasoning modules introduce substantial inference latency and thereby prevent their deployment in the unforgiving reality of the road networks. We propose RT-VLA, a lightweight, distilled VLA model that transfers the driving and reasoning capabilities of the state-of-the-art SimLingo model into a compact student through multi-level supervised distillation. RT-VLA preserves language-based reasoning and supports post-hoc explanation through offline language analysis of safety-critical driving moments without adding latency to real-time control. Compared to the SimLingo teacher, RT-VLA maintains competitive closed-loop driving and language reasoning performance while reducing inference time by 44.8X in vision-only mode and 7.9X in vision+language mode. These results suggest that supervised distillation is a practical approach for building real-time, explainable VLA-style autonomous driving models.

15.
arXiv (CS.AI) 2026-06-25

Plausible but Wrong: A case study on Agentic Failures in Astrophysical Workflows

arXiv:2604.25345v2 Announce Type: replace Abstract: Agentic AI systems are increasingly being integrated into scientific workflows, yet their behavior under realistic conditions remains insufficiently understood. We evaluate CMBAgent across two workflow paradigms and eighteen astrophysical tasks. In the One-Shot setting, access to domain-specific context yields an approximately ~6x performance improvement (0.85 vs. ~0 without context), with the primary failure mode being silent incorrect computation - syntactically valid code that produces plausible but inaccurate results. In the Deep Research setting, the system frequently exhibits silent failures across stress tests, producing physically inconsistent posteriors without self-diagnosis. Overall, performance is strong on well-specified tasks but degrades on problems designed to probe reasoning limits, often without visible error signals. These findings highlight that the most concerning failure mode in agentic scientific workflows is not overt failure, but confident generation of incorrect results. We release our evaluation framework to facilitate systematic reliability analysis of scientific AI agents.

16.
arXiv (CS.CV) 2026-06-18

NeuMesh++: Towards Versatile and Efficient Volumetric Editing with Disentangled Neural Mesh-based Implicit Field

Recently neural implicit rendering techniques have evolved rapidly and demonstrated significant advantages in novel view synthesis and 3D scene reconstruction. However, existing neural rendering methods for editing purposes offer limited functionalities, e.g., rigid transformation and category-specific editing. In this paper, we present a novel mesh-based representation by encoding the neural radiance field with disentangled geometry, texture, and semantic codes on mesh vertices, which empowers a set of efficient and comprehensive editing functionalities, including mesh-guided geometry editing, designated texture editing with texture swapping, filling and painting operations, and semantic-guided editing. To this end, we develop several techniques including a novel local space parameterization to enhance rendering quality and training stability, a learnable modification color on vertex to improve the fidelity of texture editing, a spatial-aware optimization strategy to realize precise texture editing, and a semantic-aided region selection to ease the laborious annotation of implicit field editing. Extensive experiments and editing examples on both real and synthetic datasets demonstrate the superiority of our method on representation quality and editing ability. Project page: https://zju3dv.github.io/neumeshplusplus/

17.
arXiv (CS.LG) 2026-06-18

Fair Online Resource Allocation

arXiv:2606.18679v1 Announce Type: cross Abstract: We study the problem of fair online resource allocation, motivated by applications such as refugee resettlement and airline scheduling, where agents arrive sequentially and must be assigned to facilities with limited capacities. We introduce a model that maximizes the overall welfare subject to resource constraints and a Lipschitz fairness requirement, which ensures that similar agents arriving in the same batch receive similar expected outcomes. We first analyze the offline problem, proving that the value of the optimal fair allocation is at least an $\Omega(1/\gamma)$ fraction of the optimal unfair allocation, where $\gamma$ is the fairness coefficient, thereby bounding the price of fairness. For the online setting, we propose an algorithm based on dual mirror descent that enforces fairness constraints within batches while estimating optimal dual variables. We prove that this algorithm achieves sublinear regret relative to the optimal offline fluid benchmark. Finally, we validate our theoretical results using real-world data from the Refugee Economies Programme, demonstrating the algorithm's performance and examining the trade-offs between welfare maximization and fairness enforcement.

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

Entropy Estimation in Multi-Qutrit Systems via Variational and Classical Neural Networks

arXiv:2606.20504v1 Announce Type: cross Abstract: We present a systematic study of von Neumann entropy estimation in multi-qutrit quantum systems using two complementary approaches: variational quantum algorithms (VQAs) and classical convolutional neural networks (CNNs), evaluated using an ideal (noise-free) quantum simulator. For systems up to three qutrits, we construct and evaluate 11 hardware-efficient SU(3)-inspired ansatzes. A parameter sweep shows that estimation accuracy is primarily determined by the number of trainable parameters, provided sufficient entanglement is present. Based on this study, we fix the parameter count to approximately 120 for subsequent experiments, observing that increasing entangling-gate counts beyond a threshold yields only marginal improvements. For larger systems (two to five qutrits), we use a CNN trained on measurement outcomes from tensor-product mutually unbiased bases. The model achieves accurate and stable predictions and exhibits a systematic improvement in performance with system size, with the highest errors for two-qutrit systems and the lowest for five-qutrit systems. Notably, using only 12.5% of the measurements required for full state tomography is sufficient to reach 90th-percentile absolute errors of approximately 0.13-0.16 nats for both four- and five-qutrit systems. The CNN model is also robust to shot noise and generalizes well to out-of-distribution states. Overall, within the simulated settings studied here, our results indicate a transition in practical methods: VQAs are effective for small systems, while CNN-based estimators offer improved scalability and robustness for larger qutrit systems.

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

Multi-User Dueling Bandits: A Fair Approach using Nash Social Welfare

arXiv:2605.01961v2 Announce Type: replace Abstract: Learning from human preference data is becoming a useful tool, from fine-tuning large language models to training reinforcement learning agents. However, in most scenarios, the model is trained on the average preference of all human evaluators, which, under large variations of preferences, can be unfair to minority groups. In this work, we consider fairness in dueling bandits, a standard framework for online learning from preference data. We assume that each user has a (potentially distinct) Condorcet winner, which is an arm preferred to every other arm. Using these user-specific Condorcet winners as reference points, we evaluate and score arms according to their performance relative to the corresponding winner. To promote fairness across heterogeneous users, we adopt the well-established Nash Social Welfare objective, which maximizes the product of user utilities, thereby inherently penalizing inequality and preventing the marginalization of any single user. Within this framework, we construct a hard instance to establish a regret lower bound of $\Omega(T^{2/3}\min(K,D)^\frac{1}{3})$ for a time horizon $T$, $K$ arms, and $D$ users, which, to the best of our knowledge, is the first result quantifying the cost of fairness in dueling bandits with heterogeneous preferences. We then present the Fair-Explore-Then-Commit and Fair-$\epsilon$-Greedy algorithms with a Condorcet winner identification phase. We further derive their regret upper bounds that match the lower-bound dependence on $T$ up to logarithmic factors.

20.
Nature (Science) 2026-06-15

Nanocrystal-tailored recombination for all-perovskite tandem solar modules

作者:

The commercialization of all-perovskite tandem solar modules is hindered by the reliance on the conventional gold-based tunnel recombination junction (TRJ)1,2. Specifically, this TRJ introduces substantial near-infrared parasitic absorption3 and suffers from interfacial instability4, limiting both photocurrent generation and operational durability. Here, we develop a solution-processed interconnecting layer based on surface-engineered indium oxide (In2O3) nanocrystals featuring high optical transparency, wherein controlled nanocrystal morphology and tailored ligand chemistry enable smooth interfacial contact and favorable energy level alignment. Critically, we introduce a phosphonic acid additive into the lead–tin (Pb–Sn) perovskite precursor, which synergistically improves the electronic contact with the In2O3 recombination layer, thereby enhancing hole extraction. In addition, the additive regulates perovskite crystallization to mitigate residual strain during film formation, ensuring high-quality large-area deposits. This coordinated interfacial and crystallization engineering strategy simultaneously enhances carrier recombination efficiency at the interconnection layer, improves carrier extraction, and promotes large-area film uniformity in all-perovskite tandems. As a result, a 65-cm2 all-perovskite tandem solar module achieves a certified power conversion efficiency of 26.2%5, with an open-circuit voltage of 2.182 V, a fill factor of 77.4%, and a short-circuit current density of 15.6 mA cm-2 in terms of averaged subcell performance, measured by Japan Electrical Safety and Environment Technology Laboratories (JET). This marks a significant advance toward scalable perovskite tandem photovoltaics.

21.
arXiv (CS.LG) 2026-06-19

Influence-Guided Concolic Testing of Transformer Robustness

arXiv:2509.23806v2 Announce Type: replace-cross Abstract: Concolic testing for neural networks alternates concrete execution with constraint solving to search for inputs that flip model decisions. We present a concolic tester for Transformer classifiers that uses SHAP estimates to rank pending path predicates by their impact on the current prediction. To support self-attention with multiple heads in execution backed by SMT solving, we implement attention semantics in pure Python that are compatible with the solver and make the softmax boundary explicit by concretizing exponentiation arguments. We evaluate our method on CIFAR-10 across three compact Transformer classifiers, ResNet18, and VGG16 under a one-pixel budget and a 900s horizon. Across the 500 model–input pairs in this matched comparison, our method achieves 60% success, compared with 15% for a differential evolution baseline that treats the model as a black box. In the primary two-layer Transformer branch-ordering study, SHAP-based predicate prioritization raises success from 56% to 60% and reduces median attack time by 51%. These results show that influence-guided path exploration can make concolic testing a practical way to find adversarial examples in Transformer models.

22.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

23.
arXiv (CS.CL) 2026-06-24

CAVEWOMAN: How Large Language Models Behave Under Linguistic Input and Output Compression

"Talk short. Drop grammar. Save token." This caveman style is widely promoted as a way to cut inference cost, but whether it actually saves anything depends on which channel (the user's prompt or the model's response) is being compressed. We present Cavewoman, a two-channel evaluation protocol that scores every generation on task accuracy, realized per-item cost, and reference-text agreement against the model's unconstrained reference. We evaluate eight models on five datasets at five reduction levels, with both channels measured on the same items. Output compression cuts realized cost on most API models (1.4-2.4x per model, up to 3x in the best case) and on all four open-weight models under public-tier pricing. Input compression has the opposite effect, a strict lose-lose: it raises net cost rather than lowering it (~1.15x on the five-benchmark mean, up to 1.8x on the worst dataset and 2.7x under stronger compression), because models compensate with longer responses even as accuracy collapses. Under the same setting, surface text diverges from the unconstrained reference: on the non-reasoning models, roughly half of all generations are correct yet their surface text no longer entails the model's own unconstrained baseline generation. The divergence survives length-controlled re-scoring, multiple-comparisons correction, and replication under complementary semantic measures. Code and data are available at https://github.com/danielle34/cavewoman.

24.
arXiv (CS.CV) 2026-06-25

In-context Region-based Drag: Drag Any Region to Any Shape

Diffusion models have shown promise in drag-style editing. Previous works mainly focus on point-based drag, which is inherently ambiguous. This paper focuses on region-based drag and introduces a novel In-Context Region-based Drag (ICRDrag) method. Under the in-context learning framework, ICRDrag consumes a source image, a source region mask, and a target region mask, producing the target dragged image. Built upon the basic in-context learning model, we introduce two novel attention regularization: 1) image-mask attention consistency to ensure that a target region attends to similar source regions for image and mask modalities; 2) source-target attention correspondence to ensure the mutual correspondence between source and target regions. To facilitate region-based drag, we also construct Paired Region Dataset (PRD), a large-scale dataset with paired masks and images. Extensive experiments show that ICRDrag significantly outperforms existing methods in both quantitative metrics and user studies, achieving superior editing accuracy and visual fidelity. The dataset, code, and model are available at https://github.com/bcmi/ICRDrag-Region-Drag-Editing.

25.
arXiv (CS.CL) 2026-06-15

OmniOPD: Logit-Free On-Policy Distillation via Speculative Verification

On-Policy Distillation (OPD) trains a student model on its own generative trajectories under dense token-level feedback from a stronger teacher, mitigating both the off-policy distribution shift of Supervised Fine-Tuning (SFT) and the sparse credit assignment of Reinforcement Learning (RL). However, standard OPD faces two coupled limitations. First, it requires direct access to the teacher's token-level logits, excluding a broad class of capable proprietary models from serving as teachers. Second, the token-level logit signal itself is brittle, depending on a narrow overlap of plausible next tokens between teacher and student, and prone to amplifying degenerate patterns such as repetition loops. In this paper, we introduce OmniOPD, a novel framework that addresses both limitations through a logit-free, chunk-level supervision signal. OmniOPD replaces deterministic logit matching with Monte Carlo rollouts that approximate the teacher's local preferences through a continuous semantic similarity metric over multi-token chunks, and concentrates this supervision via a peak-entropy scheduler that audits the student only at its high-uncertainty reasoning forks. A Dirichlet-Multinomial Bayesian prior and a base-model KL anchor further bound the variance of discrete sampling and prevent policy collapse across unaudited tokens. Across competitive benchmarks, OmniOPD surpasses the standard OPD approach by up to +28.64% on math, confirming that chunk-level semantic verification extracts a more reliable learning signal than token-level logit matching, whose high information density is offset by significant noise and brittleness. Furthermore, when paired with stronger black-box teachers such as Claude-4.5-Haiku and Gemini-2.5-Flash, OmniOPD achieves an additional +9.54% relative on math over its open-weight teacher counterpart, advancing the student past the performance of self-exploratory RL.