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01.
arXiv (CS.AI) 2026-06-18

Deep Learning-Driven Inverse Design of Doherty Power Amplifiers Using Pixelated Combiners and Dual-State Impedance Synthesis

作者:
Han Zhou↗Haojie Chang↗David Widen↗Christian Fager↗

arXiv:2606.18395v1 Announce Type: cross Abstract: The output combiner of a Doherty power amplifier (PA) integrates load modulation, impedance matching, and phase compensation within a single network, making its design and synthesis highly challenging. In this paper, we propose a three-port Doherty combiner design methodology that combines deep convolutional neural networks (CNNs), pixelated layout representations, and genetic algorithms (GA) with dual-state impedance synthesis to address both peak and back-off power conditions. As a proof of concept, two GaN HEMT Doherty PA prototypes incorporating three-port pixelated combiners are designed and fabricated. Both prototypes achieve a measured saturated output power exceeding 44.2 dBm with peak drain efficiency above 71.2% within 2.6-2.8 GHz. Furthermore, a drain efficiency as high as 64% is measured at the 6-dB back-off level. After applying digital predistortion, each prototype achieves an adjacent channel leakage ratio (ACLR) better than -51.3 dBc.

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02.
arXiv (CS.AI) 2026-06-15

Learning optimal policies from event logs through reinforcement learning: a comparison of deep and MDP-based approaches

作者:
Stefano Branchi↗Andrei Buliga↗Chiara Di Francescomarino↗Chiara Ghidini↗Riccardo Graziosi↗Francesca Meneghello↗Massimiliano Ronzani↗

arXiv:2303.09209v2 Announce Type: replace Abstract: Prescriptive Process Monitoring is an emerging area within Process Mining that focuses on recommending actions to optimize business outcomes. Most existing works prescribe pre-defined interventions, i.e., sets of actions applied to ongoing process executions to achieve a specific objective or Key Performance Indicator (KPI). In contrast, only a few approaches have explored learning and evaluating optimal behavioral policies, i.e., general strategies that determine the best sequence of actions to maximize a desired KPI. In this paper, we address the problem of learning optimal behavioral policies by proposing an AI-based approach that learns an optimal policy directly from historical process executions using Reinforcement Learning (RL) to recommend the best actions for optimizing a KPI. To this end, we employ two RL techniques. The first is a classical model-based approach that extends previous work by the authors through the construction of a Markov Decision Process (MDP) capturing process behavior. The second is a model-free technique based on offline Deep RL. Unlike state-of-the-art work, we aim to minimize the use of domain knowledge and learn optimal policies directly from historical event data. This allows us to learn when to apply interventions and discover effective ones directly from data. Moreover, we target complex scenarios involving external actors, where the process owner controls only part of the activities. We adopt a data-driven Business Process Simulation (BPS) environment to evaluate the learned policies. Results show that both methods improve the targeted KPI with similar effectiveness, while the model-based approach outperforms offline Deep RL in computational efficiency.

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

EvoBrowseComp: Benchmarking Search Agents on Evolving Knowledge

作者:
Yunhan Wang↗Jiaan Wang↗Lianzhe Huang↗Xianfeng Zeng↗Fandong Meng↗

Search Agents – large language models augmented with search tools – have intensified the need for future-proof evaluation benchmarks. Existing benchmarks such as BrowseComp rely on static knowledge, making them vulnerable to test-set contamination and parametric memorization. Consequently, models can achieve high scores through fact recall rather than genuine retrieval, obscuring true browsing competence via reasoning shortcuts. In this paper, we introduce EvoBrowseComp, an evolving benchmark of 400 English and 400 Chinese contamination-free complex questions synthesized via live-web traversal. To collect these questions, we design a three-agent collaborative framework: (1) a QA synthesis agent that retrieves fresh knowledge from the live web to synthesize QA pairs; (2) an information filtering agent that filters retrieved knowledge in terms of credibility and popularity to block parametric shortcuts; and (3) a high-level guidance agent that formalizes questions into reasoning graphs to reduce logical redundancy and shortcuts in synthesized QA pairs. Because the framework supports fully automated synthesis, EvoBrowseComp can be regularly updated to prevent data contamination and maintain temporal freshness. Extensive experiments confirm its great difficulty, requiring broad horizontal search. It establishes a scalable paradigm for auto-updatable, high-difficulty benchmarking that keeps pace with both evolving world knowledge and advancing agent capabilities.

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04.
arXiv (CS.CL) 2026-06-11

ICA Lens: Interpreting Language Models Without Training Another Dictionary

作者:
Sida Liu↗Feijiang Han↗

Finding interpretable directions in language-model representations is critical for understanding and controlling model behavior. Sparse autoencoders (SAEs) have become the standard tool for this purpose, but using them as the default first lens often requires training, storing, and evaluating large overcomplete dictionaries. This bottleneck limits rapid exploration and raises a fundamental question: how much interpretable structure is already visible from activation geometry before training another neural dictionary? Our intuition is simple: many interpretable directions are selective on tokens, and these directions should look less Gaussian than random directions. We therefore revisit independent component analysis (ICA), a classical method for finding non-Gaussian directions, as a compact lens for language-model interpretability. We find that ICA has been underestimated for LLM interpretability, because prior uses often relied on off-the-shelf ICA implementations that are brittle on LLM activations and lacked systematic tools for inspecting and evaluating the recovered directions. To bridge these gaps, we introduce ICALens, the first practical workflow for stable, efficient, and auditable ICA analysis of LLM representations. It combines an optimized GPU-parallel FastICA pipeline with LLM-specific stability recipes and better fitting diagnostics, enabling efficient and reliable layer-wise analysis. Across GPT-2 Small, Gemma 2 2B, and Qwen 3.5 2B Base, ICALens efficiently recovers compact, human-interpretable directions without per-layer gradient-based dictionary training. On SAEBench, ICA is competitive with public SAEs in sparse probing and outperforms them in targeted probe perturbation under small-to-medium budgets. These results suggest that ICA should not be viewed as a weak baseline, but as an efficient and complementary first lens for exploring language-model representations.

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05.
arXiv (CS.CV) 2026-06-18

From Bounding Boxes to Visual Reasoning: An On-Policy Data Annotation Tool for Vision-Language Models

作者:
Like Zhang↗Runliang Niu↗Shiqi Wang↗Xiyu Hu↗Qianli Xing↗Pan Wang↗Qingzu He↗Qi Wang↗

Vision-language models (VLMs) are rapidly advancing toward sophisticated grounded structured visual reasoning. Training models for such advanced capabilities demands a new genre of data that seamlessly unifies spatial coordinates, open-vocabulary descriptions, structured attributes, and topological relationships into a singular representation. However, existing data annotation tools fundamentally fail to meet these intricate demands, suffering from three systematic bottlenecks: limited expressiveness, severe annotation-training decoupling, and poor data reusability. To bridge this infrastructure gap, we introduce an open-source annotation tool, ScreenAnnotator. First, we define a unified annotation atom schema that binds spatial, semantic, and structural primitives into a single unit. Second, we implement an on-policy annotation loop embedded with a Bayesian Annotation Verifier (BAV). Finally, we design a template-driven multi-task data synthesis process dynamically transforms static atoms into diverse multi-dimensional reasoning tasks, eliminating redundant re-annotation. The on-policy loop drives the annotation accept rate to nearly 100% on flowcharts and 77% on GUI screenshots, while steadily reducing per-image annotation time as labeled data accumulate. In the flowchart scenario, fine-tuning a VLM yields 76.1% average accuracy, which is a 35.1% point absolute gain. Our code is available at: https://github.com/WnQinm/Annotator.

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06.
arXiv (quant-ph) 2026-06-16

Quantum simulation of the Liouville equation in classical mechanics with discontinuous potential via Schrödingerization

作者:
Shi Jin↗Shuyi Zhang↗

arXiv:2606.15066v1 Announce Type: new Abstract: We develop quantum simulation algorithms for the Liouville equation of classical mechanics with discontinuous potential. Such discontinuities represent potential barriers at which classical particles undergo energy preserving transmission or reflection, and the resulting interface conditions must be incorporated into the numerical flux. We combine Hamiltonian-preserving schemes by Jin and Wen in Commun. Math. Sci. 3(3), 285-315 (2005) with the Schrödingerization method, which embeds the resulting nonunitary semi-discrete dynamics into a unitary Schrödinger type system in one additional auxiliary variable [arXiv:2212.14703, arXiv:2212.13969]. For one-, two-, and $n$-dimensional problems with grid aligned interfaces, we construct sparse matrix representations of the transmission and reflection fluxes using step and hat functions, derive the corresponding Hamiltonians of the Schrödingerized systems, and analyze their sparse-access query complexity. In the sparse-access oracle model, the resulting algorithms have a polynomial dependence on the inverse accuracy and avoid the exponential dependence on the phase-space dimension suffered by classical grid based Hamiltonian-preserving schemes, up to the cost of implementing the oracles and the postselection overhead. We also describe the postselected recovery of the physical solution state and the quantum readout of macroscopic observables such as density and averaged velocity through overlap estimation. Numerical experiments based on classical simulation of the Schrödingerized dynamics validate the proposed formulation and illustrate the correct transmission/reflection behavior at potential barriers.

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08.
arXiv (quant-ph) 2026-06-12

Trading symmetry for Hilbert-space dimension in Bell-inequality violation

作者:
Hsin-Yu Hsu↗Gelo Noel M. Tabia↗Kai-Siang Chen↗Mu-En Liu↗Tam\'as V\'ertesi↗Nicolas Brunner↗Yeong-Cherng Liang↗

arXiv:2601.02893v3 Announce Type: replace Abstract: In quantum information, asymmetry, i.e., the lack of symmetry, is a resource allowing one to accomplish certain tasks that are otherwise impossible. Similarly, in a Bell test using any given Bell inequality, the maximum violation achievable using quantum strategies respecting or disregarding a certain symmetry can be different. In this work, we focus on the symmetry involved in the exchange of parties and explore when we have to trade this symmetry for a lower-dimensional quantum strategy in achieving the maximal violation of given Bell inequalities. For the family of symmetric Collins-Gisin-Linden-Massar-Popescu inequalities, we provide evidence showing that there is no such trade-off. However, for several other Bell inequalities with a small number of dichotomic measurement settings, we show that symmetric quantum strategies in the minimal Hilbert space dimension can only lead to a suboptimal Bell violation. In other words, there exist symmetric Bell inequalities that can only be maximally violated by asymmetric quantum strategies of minimal dimension. In contrast, one can also find examples of asymmetric Bell inequalities that are maximally violated by symmetric correlations. The implications of these findings on the geometry of the set of quantum correlations and the possibility of performing self-testing therefrom are briefly discussed.

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09.
medRxiv (Medicine) 2026-06-22

Between Patterns and Predictions: Interpretable Latent EEG Representations for Clinical Insights

作者:
Krumm↗L. M↗Terziev↗Kranz↗Westover↗Meisel↗

Electroencephalography (EEG) captures rich brain dynamics, yet in clinical practice this complexity is often reduced to simplified summaries or categorical labels, limiting its interpretability for decision-making. We tested the hypothesis that a pretrained latent embedding framework, the Universal Map of EEG (UM-EEG), can preserve clinically meaningful structure across heterogeneous datasets and provide a generalizable representation of brain states. We applied UM-EEG, without retraining, to three independent cohorts spanning distinct clinical contexts: long-term EEG recordings from cardiac arrest patients (n = 576), subarachnoid hemorrhage (n = 100), and routine clinical EEG recordings containing physiological and pathological patterns (n = 141). EEG segments were projected into a shared 128-dimensional space anchored by expert-derived reference states, including wakefulness, sleep stages, ictal-interictal continuum activity, and burst suppression. Across datasets, favorable outcome or physiological recordings were consistently located closer to healthy reference states, whereas poor outcome and pathological recordings shifted toward pathological regions of the embedding space. Trajectory-derived geometric and temporal features discriminated outcome in cardiac arrest (ROC-AUC 0.83) and subarachnoid hemorrhage (ROC-AUC 0.76), and distinguished physiological from pathological routine EEGs (ROC-AUC 0.93). In routine EEG, similarity relationships derived from embedding trajectories correlated with those derived from structured clinical reports, indicating that the latent space recapitulates clinically relevant organization. These findings show that a fixed, semantically structured EEG embedding generalizes across etiologies and recording settings, enabling prognostic stratification and contextual interpretation while preserving the relational structure of brain states.

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10.
arXiv (CS.LG) 2026-06-16

Conflict-Aware Federated Fine-Tuning of Large Language Models with Mixture-of-Experts

作者:
Yijun Lu↗Zihan Fang↗Pengpeng Qiao↗Zheng Lin↗Jing Yang↗Yuxin Zhang↗Por Lip Yee↗Zhe Chen↗Jun Luo↗

arXiv:2606.15625v1 Announce Type: new Abstract: The continuous scaling of large language models (LLMs) incurs prohibitive computational costs, making Mixture-of-Experts (MoE) a scalable alternative for efficient fine-tuning via sparse activation. While federated learning (FL) emerges as the paradigm for privacy-preserving collaborative optimization, integrating MoE into FL under data heterogeneity may trigger conflicting expert optimizations. Client-specific data distributions force same-indexed experts to optimize under inconsistent or even conflicting feature-label correlations. This mismatch induces destructive interference during aggregation, thus destabilizing the optimization trajectory and degrading model performance. To address this issue, we propose FC-MoE, a federated conflict-aware framework for MoE fine-tuning. It employs an importance aware weighting scheme to prioritize reliable local updates and utilizes gradient consensus projection to suppress conflicting updates, ensuring a stable global optimization path. Moreover, a local knowledge retention mechanism further preserves specialized client expertise by re-anchoring domain-specific residuals. Extensive experiments demonstrate that FC-MoE accelerates convergence and enhances both global and local model performance in non-IID federated environments.

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11.
arXiv (CS.AI) 2026-06-15

Application of Artificial Intelligence and Machine Learning in Libraries: A Systematic Review

作者:
Rajesh Kumar Das↗Mohammad Sharif Ul Islam↗

arXiv:2112.04573v2 Announce Type: replace-cross Abstract: As the concept and implementation of cutting-edge technologies like artificial intelligence and machine learning has become relevant, academics, researchers and information professionals involve research in this area. The objective of this systematic literature review is to provide a synthesis of empirical studies exploring application of artificial intelligence and machine learning in libraries. To achieve the objectives of the study, a systematic literature review was conducted based on the original guidelines proposed by Kitchenham et al. (2009). Data was collected from Web of Science, Scopus, LISA and LISTA databases. Following the rigorous/ established selection process, a total of thirty-two articles were finally selected, reviewed and analyzed to summarize on the application of AI and ML domain and techniques which are most often used in libraries. Findings show that the current state of the AI and ML research that is relevant with the LIS domain mainly focuses on theoretical works. However, some researchers also emphasized on implementation projects or case studies. This study will provide a panoramic view of AI and ML in libraries for researchers, practitioners and educators for furthering the more technology-oriented approaches, and anticipating future innovation pathways.

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

Adaptive generative moment matching networks for improved learning of dependence structures

作者:
Marius Hofert↗Gan Yao↗

arXiv:2508.21531v2 Announce Type: replace-cross Abstract: An adaptive bandwidth selection procedure for the mixture kernel in the maximum mean discrepancy (MMD) for fitting generative moment matching networks (GMMNs) is introduced, and improved learning of copula random number generators is demonstrated. Based on the relative error of the training loss, the number of kernels is increased during training; additionally, the relative error of the validation loss is used as an early stopping criterion. While training time remains similar, adaptively training GMMNs (AGMMNs) significantly increases training performance, which is shown based on validation MMD trajectories, samples and validation MMD values. Superiority of AGMMNs over GMMNs and parametric copula models is also demonstrated in terms of three applications. First, convergence rates of estimators based on quasi-random versus pseudo-random samples from copulas are investigated in dimensions as large as 100 for the first time. Second, replicated validation MMDs, as well as Monte Carlo and quasi-Monte Carlo applications demonstrate the improved training of AGMMNs for a copula model implied by the 50 constituents of the S&P 500 index after deGARCHing. Last, both the latter dataset and 50 constituents of the FTSE 100 are used to demonstrate that the improved training of AGMMNs indeed translates to an improved model prediction.

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

RoVE: Rotary Value Embeddings Attention for Relative Position-dependent Value Pathways

作者:
Alejandro Garc\'ia-Castellanos↗Maurice Weiler↗Erik J Bekkers↗

arXiv:2606.11275v1 Announce Type: cross Abstract: Rotary Position Embeddings (RoPE) make attention scores position-relative but leave the value pathway position-blind: the message sent by a value token is the same regardless of its distance from the query. We propose RoVE, a parameter-free modification that makes values position-sensitive by rotating them simultaneously with keys, and show that it turns RoPE attention into attentive convolution. This new perspective unifies several independent formulations of the same operation across computer vision, robotics, and modern LLM architectures. Trained 124M and 354M GPT-2 models show consistent empirical gains over RoPE on few-shot in-context learning, out-of-distribution perplexity, and long-context retrieval, with the clearest improvements on tasks that require long-range aggregation.

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15.
Nature (Science) 2026-06-10

Mitochondria directly interact with the nuclear pore complex

作者:
Ivan Menendez-Montes↗

Mitochondria regulate cellular processes through direct and indirect interactions with other organelles. A well-studied example has been contact with the endoplasmic reticulum at mitochondrial-associated endoplasmic reticulum membranes1, which control pathways including redox and calcium homeostasis2,3. Recent studies have also reported direct mitochondria–nuclear membrane contacts in cancer cells and yeast that promote pro-survival signalling4,5. Here we identify direct interactions between mitochondria and nuclear pores. Using two unbiased proteomic screens, GST pulldown and BioID, we found that VDAC1 was the top mitochondrial candidate that interacts with the filamentous nuclear pore protein RANBP2. In vitro RANBP2 CRISPR knockout, RANBP2 truncation or site-directed mutagenesis of RANBP2–VDAC1 interacting amino acids resulted in reduced mitochondria–nucleus proximity and decreased nuclear ATP and phosphocreatine levels. This was accompanied by a decline in the levels of the nuclear phosphoproteome and downregulation of pathways involved in histone modification, cellular differentiation and transcriptional regulation in vitro. Moreover, deletion of the RANBP2 C-terminal domain in vivo in mice resulted in embryonic lethality due to cardiac and neural crest differentiation defects. Collectively, these results describe a mechanism by which mitochondria directly interact with the nuclear pore complex, a phenomenon critical for regulation of nuclear energetics and cellular differentiation. Undoubtedly, additional roles of this interaction remain to be revealed. Mitochondria interact directly with the nuclear pore complex via VDAC1–RANBP2 binding to sustain nuclear ATP levels.

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16.
arXiv (CS.CV) 2026-06-17

MuseVLA: An Adaptive Multimodal Sensing Vision-Language-Action Model for Robotic Manipulation

作者:
Xingyuming Liu↗Ruichun Ma↗Heyu Guo↗Qixiu Li↗Qingwen Yang↗Lin Luo↗Shiqi Jiang↗Chenren Xu↗Jiaolong Yang↗Baining Guo↗

Humans naturally leverage diverse sensing modalities to interact with the physical world, while most Vision-Language-Action (VLA) models for robotics rely solely on RGB observations. This limits their ability to perceive physical properties that are difficult or impossible to infer from RGB cameras, such as temperature, sound, or radar response. We present MuseVLA, an adaptive multimodal sensing VLA model that integrates novel sensors as on-demand tools for robotic manipulation. Given a task instruction and visual context, MuseVLA first generates a sensor token and target description that select the sensing modality to invoke and what to attend to, analogous to a tool call with arguments. It then converts the selected sensor measurement into a grounded sensor image, a unified intermediate representation that encodes heterogeneous readings for multimodal fusion and action generation. This design decouples sensor-specific processing from the VLA backbone, enabling efficient integration of diverse modalities. To reduce the need for expensive multisensory robot datasets, we further introduce a data synthesis pipeline that augments existing RGB video datasets with grounded sensor images, enabling generalization to unseen sensor-guided tasks. We evaluate MuseVLA on a real-world robot across challenging dexterous hand manipulation tasks that require multimodal sensing inputs, including temperature-guided pick-and-place, audio-driven object search, and radar-assisted hidden object retrieval. MuseVLA achieves 80.6% success rate on average, outperforming RGB-only and multisensory VLA baselines significantly, and exhibits strong zero-shot capabilities on unseen tasks.

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17.
arXiv (CS.CL) 2026-06-16

ESBMC-PLC: Formal Verification of IEC 61131-3 Ladder Diagram Programs Using SMT-Based Model Checking

作者:
Pierre Dantas↗Lucas Cordeiro↗Waldir Junior↗

PLCs execute safety-critical programs across industrial sectors. The dominant PLC notation, ladder diagram (LD) per IEC 61131-3, remains absent from formal verification: SMT-based model checkers cannot process LD's rung-and-coil graphics. This paper presents ESBMC-PLC, the first open-source formal verifier with native LD support (PLCopen XML format), implemented as a new ESBMC frontend. ESBMC-PLC translates LD rungs to GOTO IR, models the PLC scan cycle as a while(true) loop with nondeterministic inputs, and checks safety properties via SMT-based bounded model checking or k-induction. A five-property YAML language (mutual_exclusion, invariant, absence, response, reachability) avoids temporal logic. A survey of 22 studies (2020-2026) identifies four research gaps; ESBMC-PLC closes two of them. Evaluation on 13 benchmarks (6 domains, 3 sources - including deployed CONTROLLINO PLCs and MathWorks Simulink PLC Coder) shows correct classification across 61 properties: all 9 author-constructed programs (Categories A/B) as expected, all 4 vendor programs (Category C) correctly unlabeled, with 8 bugs found (actionable counterexamples), 7 unbounded k-induction proofs, all runs under 60ms on Apple Silicon. Feature comparison with PLCverif shows that ESBMC-PLC is the only open-source tool that combines native LD, k-induction, and SMT bit-vector semantics.

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18.
Nature (Science) 2026-06-10

A prognostic human brain network for diffuse midline glioma

作者:
Jai Sidpra↗

Diffuse midline gliomas (DMGs) are near-universally lethal tumours of the childhood central nervous system1,2. In animal models, DMGs form brain-wide integrated networks through neuron-to-glioma synapses3–6 and glioma-to-glioma gap junctional coupling3. This extensive connectivity robustly promotes the growth and invasion of DMG3–9 and other glial malignancies10–12 through paracrine mechanisms and direct neuron-to-glioma synapses. However, the organization and clinical implications of these connections in the living human brain remain to be elucidated. Here, we develop tumour network mapping to compute the brain-wide connectivity profile of DMG, defining a conserved brain network across pontine and thalamic DMG associated with patient short-term survival (DMG network). Tumour functional connectivity with the DMG network was independently predictive of patient overall survival across two external validation cohorts. Tumour growth mapped to DMG network-specific trajectories and peak in-network neurometabolic changes across development spatiotemporally aligned with the peak age incidence of DMG. Analyses of single-nucleus RNA sequencing data confirmed diverse synaptic gene enrichment in high-connectivity DMG. Strikingly, incidental surgical resection of high-connectivity thalamic DMG tissue conferred a significant survival advantage. Collectively, these data define a conserved and prognostically important brain network in children with DMG, consistent with the hypothesis that DMGs exploit otherwise healthy brain circuits to promote tumour growth. Tumour network mapping of diffuse midline glioma (DMG) defines a conserved and prognostically important brain network in children with DMG, consistent with the hypothesis that DMGs exploit otherwise healthy brain circuits to promote tumour growth.

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

Sustainable Materials Discovery in the Era of Artificial Intelligence

作者:
Sajid Mannan↗Rupert J. Myers↗Rohit Batra↗Rocio Mercado↗Lothar Wondraczek↗N. M. Anoop Krishnan↗

arXiv:2601.21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current generative AI models for materials discovery, which now drive exploration of vast chemical and structural spaces, optimize candidates exclusively for structural stability and functional properties, with no integration of environmental assessment at any stage of the design loop. Prospective and ex-ante life cycle assessment methods exist and have been applied to emerging technologies, but they operate as standalone downstream analyses, not as active constraints within generative or active-learning pipelines. The result is that environmental feedback, even when produced, arrives after design decisions have been made rather than informing them. The disconnect between atomic-scale design and lifecycle assessment (LCA) reflects fundamental challenges: (i) data scarcity across heterogeneous sources, (ii) scale gaps from atoms to industrial systems, (iii) uncertainty in synthesis pathways, and (iv) the absence of frameworks that co-optimize performance with environmental impact. In this Perspective, we propose integrating upstream ML-assisted materials discovery with downstream LCA into the ML-LCA framework, comprising five components: information extraction for building materials-environment knowledge bases, harmonized databases linking properties to sustainability metrics, multi-scale models bridging atomic properties to lifecycle impacts, ensemble prediction of manufacturing pathways with uncertainty quantification, and uncertainty-aware optimization enabling simultaneous performance-sustainability navigation. Case studies spanning polymers, glass, photoresists, and cement demonstrate both necessity and feasibility while identifying material-specific integration challenges.

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20.
arXiv (CS.CL) 2026-06-24

When Retrieval Metrics Mislead: Measuring Policy Signal in Long-Horizon Tool-Use Agents

作者:
Tianyu Ding↗Juan Pablo De la Cruz Weinstein↗

Exact-match retrieval recall is often used as a proxy for whether a retriever supplies useful policy context to a downstream decision model. We test this proxy for pre-action policy classification in tau-bench using Qwen2.5-3B/7B classifiers. Under gold-policy conditioning, a compact structured state improves macro-F1 over raw trajectories by 0.13-0.17 after tuning. We then replace the benchmark-designated policy clause with the top-ranked clause retrieved from decision-time context. Although the exact governing clause is retrieved at rank 1 for only 7% of airline states, the primary 3B classifier obtains macro-F1 0.58 with retrieved clauses versus 0.60 with gold clauses (Delta=-0.02, task-cluster 95% CI [-0.23,+0.21]); mismatched-policy and no-policy controls score 0.32 and 0.21. We do not detect a macro-F1 difference between retrieved and gold clauses in this configuration, although the interval remains too wide to establish non-inferiority. The same qualitative pattern appears with a second retriever and at 7B, while varying across fine-tuning configurations. These results indicate that exact-match clause recall can underestimate downstream policy utility in this benchmark setting, motivating evaluation with retrieved policies in the classification loop rather than recall alone.

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21.
arXiv (CS.AI) 2026-06-16

SciText2Eq: Assessing LLMs for Explainable Equation Generation for Scientific Creativity

作者:
Yifan Mo↗Xiao Fu↗Yue Su↗Qingyu Meng↗Koen Hindriks↗Qingzhi Liu↗Jiahuan Pei↗

arXiv:2606.16003v1 Announce Type: new Abstract: This work investigates the ability of large language models (LLMs) to generate mathematical equations from scientific texts. Prior work faces challenges in unstructured grounding, multi-equation dependency, and humanaligned evaluation. To this end, we construct a dataset of AI research papers, pairing contextual passages with ground-truth equations and variable descriptions. We develop an explainable equation generation workflow and evaluate it across diverse open- and closed-source LLM backbones. We introduce an evaluation protocol combining automatic metrics, LLM-based rubrics, and human judgments to assess accuracy, explainability, and human-LLM alignment. Results indicate that LLMs perform moderately on lexical- and syntactic-based similarity, while struggling with semantic accuracy. Comparisons between LLM-based evaluations and human judgments reveal limited alignment, highlighting challenges in using LLMs to assess equation quality. These findings offer insights for improving equation generation models and developing more reliable evaluation methods for scientific text. We provide code and data for reproducibility.

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

Constrained Variable Projection for Structured Problems

作者:
Emanuele Zangrando↗Sara Venturini↗Francesco Rinaldi↗Francesco Tudisco↗

arXiv:2606.23939v1 Announce Type: cross Abstract: Variable projection is a classical technique for separable nonlinear least-squares problems, in which variables that enter linearly are eliminated exactly, yielding a reduced nonlinear problem. By expressing this framework as a particular instance of a broader class of bilevel optimization problems, we develop a constrained variable-projection framework for data-science models, where the remaining variables are subject to convex constraints and the eliminated variables arise from a lower-level least-squares problem. In particular, by interpreting variable projection as a collapsed bilevel optimization problem, we derive exact reduced-gradient formulas compatible with automatic differentiation and propose a conditional-gradient algorithm for the resulting constrained reduced problem. We establish convergence guarantees under standard smoothness and compactness assumptions, and discuss extensions to structured lower-level variables. Numerical experiments on sparse autoencoding, dictionary learning, blind deconvolution, and few-shot learning suggest that the method can improve wall-clock efficiency and data efficiency relative to natural joint-optimization baselines.

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23.
arXiv (CS.CL) 2026-06-11

When More Documents Hurt RAG: Mitigating Vector Search Dilution with Domain-Scoped, Model-Agnostic Retrieval

作者:
Nabaraj Subedi↗Ahmed Abdelaty↗Shivanand Venkanna Sheshappanavar↗

Retrieval-augmented generation degrades when scaled to large, heterogeneous document collections, where dense similarity loses discriminative power, and top-k retrieval increasingly returns semantically similar but contextually incorrect chunks. We refer to this failure mode as vector search dilution. Even when using hybrid dense+sparse retrieval, we observed this firsthand in a deployed Wyoming Department of Transportation corpus, where scaling from 54 to 1,128 documents (88,907 chunks) reduced accuracy from 75% to below 40%. To address this dilution, we propose MASDR-RAG ( Multi-Agent Scoped Domain Retrieval for RAG) and evaluate it on 200 expert-validated queries across five LLM backbones, six corpora, and two index stacks. Our results indicate that domain scoping using organizational metadata is the key fix, significantly improving P@10 from 0.77 to 0.86 ($p < 0.05$). Furthermore, our investigation of multi-agent orchestration revealed that a high degree of configuration dependence results –creating what we call the precision-faithfulness paradox. Based on these varied outcomes, our practical recommendation is simple: scope first, then perform a single synthesis call, reserving full multi-agent orchestration for genuinely multi-domain corpora paired with native-tool-call backbones. Code and Data will be made public upon acceptance.

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

RoPE-Aware Bit Allocation for KV-Cache Quantization

作者:
Fengfeng Liang↗Yuechen Zhang↗Jiaya Jia↗

Existing low-bit KV-cache quantizers often treat each cached key as a flat vector. Under RoPE, however, a key's contribution to a future attention logit decomposes into a position-dependent sum over two-dimensional frequency blocks. This makes key-cache quantization a block-wise bit-allocation problem: high-energy RoPE blocks are more sensitive to quantization error and should receive more bits. We introduce Block-GTQ, a RoPE-aware bit allocator for key-cache quantization built on TurboQuant-MSE(TQ-MSE). For each layer and KV head, Block-GTQ computes a label-free energy score for each RoPE block and greedily allocates integer bit widths by marginal gain. Under matched K/V bit budgets, Block-GTQ better preserves RoPE query-key logits on a ten-model diagnostic panel, cutting per-layer MAE by 32-80% at 2 and 3 b/dim K-only quantization and winning all 367/367 layer comparisons against uniform TQ-MSE. These fidelity gains translate to stronger downstream long-context retrieval, understanding, and reasoning. At K2V2 on Llama-3.1-8B-Instruct, Block-GTQ raises the six-task NIAH average from 70.6 to 97.4, and the LongBench-EN average from 36.87 to 53.31. On AIME 2024/2025 with DeepSeek-R1-Distill-Qwen-7B, without an fp16 recent-key buffer, Block-GTQ at K3V2 scores 51.7/37.5, close to fp16's 54.2/37.9, whereas uniform TQ-MSE collapses to 0.0/0.0. We further implement a packed-cache serving path. On a single H800 GPU with Qwen2.5-3B-Instruct, packed K3V3 achieves 3.24x KV-cache compression with fp16-comparable quality, runs 1.34x faster than fp16 FlashAttention2 at 128K context, reduces peak memory from 56.31 GB to 19.85 GB, and remains feasible at 256K and 512K where fp16 OOMs. Code is available at https://github.com/JIA-Lab-research/blockgtq.

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25.
PLOS Computational Biology 2026-06-12

Ten simple rules for executing an inherited research plan in computational biology

作者:
Sahar Javaheri Tehrani↗

by Sahar Javaheri Tehrani, Toni Ingolf Gossmann Trainees in computational biology frequently inherit research plans whose aims, datasets, analytical strategies, and technical constraints were defined before their arrival. These plans often emerge from grants, collaborations, legacy codebases, shared high-performance computing environments, or partially completed analyses. While such plans provide a useful scaffold, they rarely specify all implementation details, prior assumptions, evaluation criteria, or dependencies needed for reliable execution. The transition from inheriting a partially articulated plan to producing reproducible results therefore creates an execution gap: a phase in which trainees must reconstruct what the project is, which elements are fixed, which remain negotiable, and which technical or organizational assumptions need to be tested before full-scale analysis begins. In this Ten Simple Rules article, we provide a practice-oriented framework for stabilizing inherited computational biology projects before workflows, benchmarks, and decision paths become entrenched. We do not claim that the individual practices described here are novel in isolation. Rather, our contribution is to organize familiar practices into a sequenced framework for a recurrent but under-articulated phase of computational research: inherited-plan execution. Computational biology makes this phase especially important because projects often combine heterogeneous datasets, fragile software environments, undocumented preprocessing choices, benchmarking assumptions, distributed collaborators, and asymmetrical access to contextual knowledge. By making this transition visible and operational, the rules aim to help trainees, supervisors, and collaborators reduce ambiguity, test feasibility, document decisions, and support reproducible and equitable project execution under real-world constraints.

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