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01.
arXiv (CS.LG) 2026-06-17

Operator Boosting Produces Pareto-Efficient PDE Surrogates

arXiv:2606.17460v1 Announce Type: new Abstract: Neural operators are widely used as surrogate solution maps for partial differential equations (PDEs), but full-size models can be costly to store, deploy, and evaluate in many-query scientific workflows. This work introduces Operator Boosting, a stagewise residual-learning framework for constructing compact neural-operator surrogates directly, rather than training a large model and compressing it afterward. Starting from the empirical mean predictor in normalized output coordinates, the method trains a sequence of tiny same-family neural operators on residual fields and incorporates each correction through validation-selected shrinkage. We instantiate the framework with Fourier neural operators (FNOs), DeepONets, and convolutional neural operators (CNOs), and compare boosted tiny stacks against full-size monolithic baselines across one-, two-, and three-dimensional PDE benchmarks from PDEBench, APEBench, and The Well. Across 30 dataset-architecture pairs, 21 show positive mean accuracy gains and 17 have positive confidence intervals, while all boosted stacks reduce trainable parameter count by approximately 72-95%. Best-model comparisons show empirical Pareto improvements on 7 of 10 completed PDE benchmarks, including two-dimensional Navier-Stokes, shallow-water dynamics, Darcy flow, one-dimensional transport and reaction systems, and three-dimensional compressible Navier-Stokes. These results show that Operator Boosting often improves the empirical accuracy-parameter Pareto frontier of neural PDE surrogates, while also exposing PDE- and architecture-dependent regimes where residual boosting fails to offset compression.

02.
arXiv (CS.CL) 2026-06-16

PACT: Privileged Trace Co-Training for Multi-Turn Tool-Use Agents

Multi-turn tool-use agents must reason, call tools, and adapt to observations across several interaction turns. Post-training such agents is challenging, as reinforcement learning often suffers from sparse rewards and weak credit assignment despite matching the prompt-only inference setting, while supervised fine-tuning on expert traces provides dense process supervision but can over-constrain the model to fixed trajectories. To tackle this, we propose PACT, a Privileged trAce Co-Training framework for multi-turn tool-use agents. The key idea is to use expert traces only as training-time optimization signals rather than rollout-time hints. PACT keeps rollout generation prompt-only, then uses expert traces to guide optimization through two complementary signals: a trace-conditioned RL surrogate that evaluates prompt-only rollouts under expert-trace context, and a component-aware SFT loss that supervises reasoning prefixes and tool-calls with annealed strength. To reduce over-reliance on the training-only trace context, PACT further introduces a prompt-only anchoring. We also provide a latent-trace view that connects the two trace-based objectives and explains how expert traces can guide optimization without being used during rollout generation. Experiments on FTRL, BFCL, and ToolHop show that PACT consistently improves over strong SFT- and RL-based baselines, highlighting the value of privileged trace co-training for multi-turn tool-use learning.

03.
arXiv (CS.AI) 2026-06-18

An In-depth Study of LLM Contributions to the Bin Packing Problem

arXiv:2510.27353v2 Announce Type: replace Abstract: Recent studies have suggested that Large Language Models (LLMs) could provide interesting ideas contributing to mathematical discovery. This claim was motivated by reports that LLM-based genetic algorithms produced heuristics offering new insights into the online bin packing problem under uniform and Weibull distributions. In this work, we reassess this claim through a detailed analysis of the heuristics produced by LLMs, examining both their behavior and interpretability. Despite being human-readable, these heuristics remain largely opaque even to domain experts. Building on this analysis, we propose a new class of algorithms tailored to these specific bin packing instances. The derived algorithms are significantly simpler, more efficient, more interpretable, and more generalizable, suggesting that the considered instances are themselves relatively simple. We then discuss the limitations of the claim regarding LLMs' contribution to this problem, which appears to rest on the mistaken assumption that the instances had previously been studied. Our findings instead emphasize the need for rigorous validation and contextualization when assessing the scientific value of LLM-generated outputs.

04.
medRxiv (Medicine) 2026-06-18

Cost-effectiveness of a virtual fracture clinic versus traditional in-person fracture clinic care for adults with acute simple fractures: a protocol for a health economic evaluation within the RECITAL trial

ABSTRACT Introduction Traditional in-person fracture clinics are often overcrowded and inconvenient for patients. Virtual fracture clinics aim to address some of these concerns by improving the efficiency of the orthopaedic service and reducing unnecessary interventions while maintaining safety and quality of care. The RECITAL trial is a non-inferiority randomised controlled trial comparing follow-up care provided at a virtual fracture clinic for people with acute simple fractures to follow-up care provided at an in-person fracture clinic. This study describes the protocol for an economic evaluation of RECITAL where the primary aim is to investigate the cost-effectiveness of a virtual fracture clinic compared with traditional in-person fracture clinic care from a health system perspective. Methods and analysis The RECITAL trial recruited 312 participants with acute simple fractures and randomised them to receive follow-up care provided at a virtual fracture clinic or follow-up care provided at an in-person fracture clinic. We will conduct a within-trial analysis from a health system perspective (primary analysis), as well as a health service, patient and societal perspective. The economic evaluation will estimate the difference in the cost of resource inputs on an intention to treat basis used by participants in the two arms of the trial, allowing comparisons to be made between the in-person and virtual fracture clinics. Data for intervention costs and healthcare utilisation will be collected from trial records, hospital electronic medical records and district performance units. The results of the economic evaluation will be expressed in terms of incremental cost per utility weight gained at 12 weeks and will be plotted on a cost-effectiveness plane. Bootstrapping by resampling will be used to estimate 95% confidence intervals around costs and outcomes, and to calculate the confidence intervals around the incremental cost-effectiveness ratio. A cost-effectiveness acceptability curve (CEAC) will be plotted, which will provide information about the probability that an intervention is cost-effective, given the level of a decision makers willingness to pay for each additional outcome. Ethics and Dissemination The trail was approved by the SLHD Ethics Review Committee (RPAH Zone) (X23-0200 and 2023/ETH01038). The findings will be disseminated through a peer-reviewed journal and conference presentations. Trial registration number The trial was prospectively registered on the Australian New Zealand Clinical Trials Registry (ANZCTR; 12623000934640)

05.
arXiv (quant-ph) 2026-06-16

A complexity theory for non-local quantum computation

arXiv:2505.23893v2 Announce Type: replace Abstract: Non-local quantum computation (NLQC) replaces a local interaction between two systems with a single round of communication and shared entanglement. Despite many partial results, it is known that a characterization of entanglement cost in at least certain NLQC tasks would imply significant breakthroughs in complexity theory. Here, we avoid these obstructions and take an indirect approach to understanding resource requirements in NLQC, which mimics the approach used by complexity theorists: we study the relative hardness of different NLQC tasks by identifying resource efficient reductions between them. Most significantly, we prove that $f$-measure and $f$-route, the two best studied NLQC tasks, are in fact equivalent under $O(1)$ overhead reductions. This result simplifies many existing proofs in the literature and extends several new properties to $f$-measure. For instance, we obtain sub-exponential upper bounds on $f$-measure for all functions, and efficient protocols for functions in the complexity class $\mathsf{Mod}_k\mathsf{L}$. Beyond this, we study a number of other examples of NLQC tasks and their relationships.

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

Ambient Diffusion Policy: Imitation Learning from Suboptimal Data in Robotics

arXiv:2606.12365v1 Announce Type: cross Abstract: We propose Ambient Diffusion Policy, a simple and principled method for imitation learning from suboptimal data in robotics. High-quality, task-specific robot data is expensive and time-consuming to collect, while suboptimal datasets with lower-quality or out-of-distribution demonstrations are abundant. Existing methods that co-train on both data sources in robotics often fail to separate the meaningful and the harmful features in the suboptimal samples. In contrast, our method extracts only the useful features by introducing a new axis to co-training in robotics: noise-dependent data usage. Ambient Diffusion Policy restricts the contribution of suboptimal data during training to only the high and low diffusion times. To rigorously justify our approach, we first observe that robot action data exhibits a spectral power law. This induces two important properties on the optimal Diffusion Policy that we exploit: a global-to-local hierarchy and locality. We theoretically formalize this discussion using a simplified model. Our experiments validate Ambient Diffusion Policy on four types of suboptimal action data (noisy trajectories, sim-to-real gap, task mismatch, and large-scale data mixtures) across six tasks. The results show that it effectively learns from arbitrary sources of suboptimal data. Notably, it outperforms existing co-training baselines by up to 33% when scaled to Open X-Embodiment - a large dataset with heterogeneous data quality and unstructured distribution shifts. Overall, Ambient Diffusion Policy increases the utility of suboptimal demonstrations and expands the set of usable data sources in robotics.

07.
arXiv (CS.LG) 2026-06-12

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

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

08.
arXiv (CS.LG) 2026-06-16

Fantastic Pretraining Optimizers and Where to Find Them II: Hyperball Optimization

arXiv:2606.16899v1 Announce Type: new Abstract: Matrix based optimizers such as Muon can substantially speed up language model pretraining, but their gains over AdamW are observed to shrink as model size and data scale grow when using standard constant decoupled weight decay. We propose Hyperball, a simple optimizer wrapper that addresses this issue. Given a base optimizer such as Adam or Muon, Hyperball sets the Frobenius norms of weight matrices and their corresponding optimizer updates to fixed constants. On Qwen3 style models up to 1.2B parameters, Muon Hyperball achieves 20–30% token equivalent speedup over weight decay baselines. Hyperball also improves learning rate transfer across widths and depths compared to decoupled weight decay. This method is motivated by prior theory showing that training with weight decay leads to an equilibrium weight norm that only depends on the training hyperparameters. Through this mechanism, the weight decay then decides the angular learning rate, i.e. how fast the direction of the weight matrix changes.

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

OmniPlan: An Adaptive Framework for Timely and Near-Optimal Network Planning Optimization

arXiv:2606.18105v1 Announce Type: cross Abstract: Network planning optimization is a fundamental problem across diverse domains, including transportation systems, communication networks, and power grids. It requires simultaneous optimization of multiple competing objectives under complex constraints. Existing network planning optimization frameworks rely on mixed integer programming (MIP) solvers, heuristics, and deep reinforcement learning (DRL) models to compute planning decisions. However, they lack effective adaptability to diverse and dynamic user intents, thus leading to the trade-off between execution time and optimality. In this paper, we propose OmniPlan, an adaptive framework that achieves both timeliness and near-optimality in network planning optimization. To achieve the adaptability lacking in existing solutions, OmniPlan employs a large language model (LLM)-based interpreter to convert heterogeneous natural-language intents into a unified and quantifiable user-preference vector. Then it employs a mixture-of-experts architecture that integrates MIP solvers, heuristics, and DRL models as specialized experts, where OmniPlan adapts to diverse intents by dynamically selecting timely and near-optimal experts. Finally, it incorporates a DRL-based expert configuration module that fine-tunes optimization objective weights to align planning decisions with user-specific preferences. We evaluate OmniPlan with a representative real-world workload, i.e., distributed machine learning (ML), where we leverage OmniPlan to offload a wide spectrum of ML inference tasks, e.g., decision trees, SVM, naive Bayes, XGBoost, and random forests, onto a network of hardware devices. Our experiments on a real-world testbed indicate that OmniPlan achieves near-optimal and low-execution-time offloading for real-world ML inference tasks, reducing latency by up to 97.8\% and network device resource consumption by up to 11.5\%.

10.
arXiv (CS.CV) 2026-06-18

Cross-Lingual Learning within Arabic Script for Low-Resource HTR

Handwritten Text Recognition (HTR) with limited labeled data remains a challenging problem, particularly for Arabic-script languages. Although modern sequence-based recognizers perform well in high-resource settings, their accuracy degrades sharply as training data becomes scarce. Arabic-script languages share a common writing system with substantial character overlap, motivating cross-lingual learning as a strategy to mitigate data scarcity. We conduct a controlled line-level study of cross-lingual joint training for Arabic-script HTR under low-resource regimes (number of samples K = 100, 500, 1000 labeled lines) on Arabic (KHATT), Urdu (NUST-UHWR) and Persian (PHTD). CRNN and Vision Transformer-based HTR-VT models are trained on the union of multiple related Arabic-script datasets to mitigate the data scarcity and are evaluated on individual target languages. Both architectures benefit from cross-language training under low-resource conditions. CRNN remains more effective under extremely limited target-language data, whereas the benefits of cross-language training for HTR-VT become less consistent as larger amounts of target-language data become available. On Persian (PHTD), joint training achieves a Character Error Rate (CER) of 9.99 , surpassing previously reported results despite not using the full available training data. On an additional Urdu dataset (UNHD), joint training reduces CER from 17.20 to 14.45.

11.
arXiv (CS.CV) 2026-06-16

Deep Learning in Seismic Interpretation: Federated Advances in Salt Dome Segmentation

Salt-dome delineation is a critical, high-impact task in subsurface geological interpretation, driving decisions in hydrocarbon exploration, reservoir modeling, and drilling safety. While convolutional encoder-decoder architectures have delivered significant improvements in automated salt segmentation, their widespread application is severely limited by data sovereignty concerns, dataset bias, and the scarcity of labeled seismic volumes. This paper introduces FedSaltNet, a Federated Learning (FL) framework explicitly engineered for robust, generalizable, and privacy preserving salt-dome segmentation. We couple a lightweight Small U-Net backbone, chosen for its efficiency and regularization properties with a novel Foreground-Weighted (FG-WEIGHTED) aggregation strategy designed to tackle domain-specific class imbalance. Through an extensive comparative study emulating non-IID conditions across four diverse seismic datasets (TGS, SEAM, F3, GBS), we demonstrate two critical findings: The FG-WEIGHTED algorithm effectively mitigates data heterogeneity, yielding a 4.0% relative improvement in Intersection over Union (IoU) over the best conventional FL method. The simple U-Net architecture proved essential, outperforming the higher capacity ResNet-18 U-Net variant by 166% in average IoU, underscoring the necessity of architectural simplicity in data-constrained federated environments. FedSaltNet provides a validated, high-performance solution that establishes the viability of federated deep learning for collaborative, next-generation subsurface interpretation.

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

AAbAAC: An Annotated Corpus for Autoimmunity Information Extraction

arXiv:2606.13051v1 Announce Type: new Abstract: Despite advances in information extraction driven by deep learning and large language models, performance gaps remain in highly specialized biomedical fields, where domainspecific complexity poses challenges for generalist models. In this work, we focus on the domain of autoimmunity, where the main entities of interest are autoimmune diseases, autoantibodies (i.e., molecules that may mark or cause these diseases), their molecular targets, their location in the body, and their associated clinical signs. Herein, we present AAbAAC (AutoAntibodies and Autoimmunity Annotated Corpus), a corpus of 115 abstracts selected from PubMed, where we manually annotated entities and their relationships. First, AAbAAC was used to evaluate several methods on the task of named entity recognition (NER), and secondly, to fine-tune NER models. Our study demonstrates the utility of AAbAAC for information extraction in the domain of autoimmunity, showing expected improvement in NER performance after finetuning. This illustrates the value of small-scale annotation efforts for specialized domains and contributes to the computational study of autoimmunity. The AAbAAC corpus is available at https://github.com/f-maury/AAbAAC.

13.
arXiv (CS.CV) 2026-06-17

Effective Gaussian Management for High-fidelity Object Reconstruction

This paper proposes an effective Gaussian management framework for high-fidelity scene reconstruction of both appearance and geometry. Unlike recent Gaussian Splatting (GS) pipelines that treat all primitives uniformly during optimization, our framework explicitly manages the attribute activation, representation and pruning of Gaussian. Specifically, our framework first introduces GauSep, a novel densification strategy that selectively activates Gaussian color or normal attributes to alleviate destructive gradient conflicts arising from dual supervision. We further propose GauRep, an adaptive Gaussian representation that dynamically adjusts spherical harmonics (SHs) orders and performs task-decoupled pruning to reduce redundancy at both the individual and global levels. To provide reliable geometric supervision for above mangement process, we additionally introduce CoRe, an regularized surface reconstruction module that distills robust normal fields from an SDF branch to the Gaussian representation through a confidence mechanism. Notably, the proposed Gaussian management is compatible with various reconstruction architectures and can be seamlessly integrated to improve performance while reducing size of the model. Extensive experiments demonstrate that our approach achieves superior or comparable performance in appearance and geometry reconstruction compared with state-of-the-art methods, while using significantly fewer parameters.

14.
arXiv (CS.CV) 2026-06-18

MUFASA: A Multi-Layer Framework for Slot Attention

Unsupervised object-centric learning (OCL) decomposes visual scenes into distinct entities. Slot attention is a popular approach that represents individual objects as latent vectors, called slots. Current methods obtain these slot representations solely from the last layer of a pre-trained vision transformer (ViT), ignoring valuable, semantically rich information encoded across the other layers. To better utilize this latent semantic information, we introduce MUFASA, a lightweight plug-and-play framework for slot-attention-based approaches to unsupervised object segmentation. Our model computes slot attention across multiple feature layers of the ViT encoder, fully leveraging their semantic richness. We propose a fusion strategy to aggregate slots obtained on multiple layers into a unified object-centric representation. Integrating MUFASA into existing OCL methods improves their segmentation results across multiple datasets, setting a new state of the art while simultaneously improving training convergence with only minor inference overhead.

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

LLM Judges Have Dark Current: A Psychometric Datasheet for LLM-as-a-Judge Evaluation

LLM-as-a-judge systems are now routinely used for open-ended model evaluation, where human preference annotation is costly, slow, and difficult to reproduce. Yet these judges are often reported as scalar accuracy, win-rate, or agreement devices. We argue that a judge should instead be reported as a measurement instrument. We introduce a Judge Datasheet protocol that measures dark current under true-vacuum inputs, stable cross-sensitivity to same-quality surface variation, positional false preference, target sensitivity on a controlled quality ladder, and the criterion or operating point induced by tie instructions. The direction-stability decomposition reveals that apparent Delta0 preference can be stable surface response or disguised position bias. In a three-judge open-weight case study, Llama-3.1-8B shows high dark current and presentation-conflicted Delta0 behavior, Qwen2.5-14B is vacuum-clean and target-sensitive but mixes stable and positional over-discrimination, and Qwen2.5-32B is vacuum-clean with low stable cross-sensitivity and low positional false preference. A strict tie criterion eliminates Qwen32B Delta0 false preference but absorbs marginal Delta1 target signals into ties while preserving Delta5 sensitivity. The results show that prompting moves the criterion, not the resolution. We do not claim that the downstream mechanism hypothesis that motivated this work is confirmed; the contribution is a metrological protocol for measuring the measuring device before downstream claims are made.

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

ttda704 at SemEval-2026 Task 6: Structured Chain-of-Thought Prompting for Political Evasion Detection

This paper describes our system for SemEval-2026 Task 6, which addresses the classification of political evasion strategies in English question-answer pairs extracted from U.S. presidential interviews. We systematically compare two distinct paradigms: (1) Parameter-Efficient Fine-Tuning of Qwen3 models (4B-32B) using QLoRA, enhanced with tiered upsampling and weighted cross-entropy loss to address severe class imbalance, and (2) structured Chain-of-Thought (CoT) prompting of reasoning-capable API models, namely DeepSeek-V3.2 and Grok-4-Fast. Our evaluation demonstrates that structured CoT prompting of reasoning-enabled models substantially outperforms our baseline parameter-efficient fine-tuning implementation in absolute Macro F1. Our best system, Grok-4-Fast with extended reasoning and few-shot hierarchical CoT prompting, achieves a Macro F1 of 0.5147 on Subtask 2 (9-class evasion) and 0.7979 on Subtask 1 (3-class clarity), ranking 8th out of 33 teams on Subtask 2 and 13th out of 41 teams on Subtask 1 on the official leaderboard. Furthermore, our ablation studies reveal key insights into effective prompt design for evasion detection: presenting labels within a hierarchical taxonomy helps structure model reasoning, while few-shot exemplars provide task calibration. However, the strongest prompt variants are not statistically distinguishable in Macro F1, and explicitly enabling extended reasoning modes yields substantial performance gains by facilitating the multi-step pragmatic analysis required to detect evasive intent.

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

NeRD: Neuro-Symbolic Rule Distillation for Efficient Ontology-Grounded Chain-of-Thought in Medical Image Diagnosis

Interpretability is essential for trustworthy medical image diagnosis. However, existing concept-driven interpretable methods have key limitations: Concept Bottleneck Models (CBMs) require scoring all predefined concepts at inference time and for manual intervention, imposing a substantial burden on clinicians, while rationale-based generative approaches often select concepts by class discriminability, which can drift from diagnostic ontologies. To address these issues, we propose Neuro-Symbolic Rule Distillation (NeRD), a framework that produces efficient, ontology-grounded reasoning chains that are sufficient yet non-redundant, without manually crafting diagnostic rules. Experiments on two skin datasets demonstrate strong diagnostic performance and interpretability, and blinded expert evaluation confirms the clinical plausibility of NeRD rationales. Our method further enables a first expert-in-the-loop study for Multimodal Chain-of-Thought-based diagnosis, achieving efficient and effective concept-level intervention.

18.
arXiv (CS.LG) 2026-06-11

Time-multiplexed layer reuse for physical neural networks

arXiv:2511.00044v3 Announce Type: replace Abstract: Physical neural networks (PNNs) are promising candidates for next-generation computing, but existing demonstrations remain several orders of magnitude smaller than modern digital neural networks, whose recent advances have been driven by rapid growth in trainable parameters. This situation resembles the constraints of early digital neural networks, which led to ideas around parameter reuse. We investigate what similarly efficient hardware architectures may look like, focusing specifically on the common bottleneck of slow re-adjustment of the weights in PNNs. We propose the Time-Indexed Deep Alternating Layers Network (TIDAL-Net), which occupies an intermediate regime between recurrent and deep neural networks, specifically aimed at the scales and restrictions of common PNN prototypes. TIDAL-Net leverages the timescale separation found in many PNNs between fast forward dynamics and slowly trainable weights and biases, using layer-by-layer time multiplexing to increase effective depth while limiting implementation cost. Numerical experiments on image classification and natural language processing tasks show that TIDAL-Net improves performance with only minor modifications to conventional PNNs.

19.
arXiv (quant-ph) 2026-06-16

Grid-state deformation in a no-jump non-Hermitian bosonic dimer

arXiv:2606.17036v1 Announce Type: new Abstract: We study the no-jump evolution of ideal grid states in a lossy bosonic dimer with differential decay. The effective non-Hermitian quadratic dynamics induces a complex symplectic flow in phase space that deforms both the primitive lattice vectors and the origin seed. The average decay rate controls common attenuation, while coherent hopping and differential decay control the reduced dimer deformation. The reduced sector contains elliptic, parabolic, and hyperbolic regimes with imaginary spectra, an exceptional point, and real spectra, producing oscillatory, linear, and exponential lattice deformations. Although projected lattice areas can change, the deformation comes from a determinant-one complex symplectic flow on the full four-dimensional phase space. For a Gaussian regularization of the origin seed, we derive the associated complex width matrix and identify the positivity conditions that preserve Gaussian form. For an initial two-mode qunaught product state, the lossless limit recovers the standard beam-splitter generation of a square GKP$+$ Bell pair, while the no-jump dynamics produces its non-Hermitian deformation with a postselection cost set by the no-jump probability.

20.
PLOS Medicine 2026-05-26

Requiring code sharing to strengthen transparency and trust in research

by Helen Lumbard, Lauren Cadwallader, Devin Soper, on behalf of the PLOS Medicine Staff Editors PLOS Medicine has always championed open science and data transparency. Now, recognizing that code is as essential a research artifact as the data it analyzes, we are strengthening our code sharing policy to further ensure reproducibility and trust in the scientific record. Recognizing that code is as essential a research artifact as the data it analyzes, this Editorial outlines how PLOS Medicine is strengthening its code sharing policy to further ensure reproducibility and trust in the scientific record.

21.
Nature (Science) 2026-06-12

An innovative technology boosts image quality for protein structures

After years of effort, two research teams have developed ‘laser phase plate’ systems that could help cryo-electron-microscopy users to generate high-quality structures for a broad range of proteins. After years of effort, two research teams have developed ‘laser phase plate’ systems that could help cryo-electron-microscopy users to generate high-quality structures for a broad range of proteins.

22.
bioRxiv (Bioinfo) 2026-06-11

Sequence-Based Therapeutic Peptide Classification with Augmented Negative Sampling

Therapeutic peptides offer high target specificity, low toxicity, and the ability to modulate protein-protein interactions, yet experimental functional characterization remains costly and slow. Computational prediction of therapeutic function directly from sequence could accelerate peptide screening and enable generative design pipelines, but requires reliable discrimination between therapeutic and non-therapeutic peptides. Existing multi-label predictors cover few functions, rely on limited datasets, and exhibit high glspl{fpr}, limiting their practical utility. We present a lightweight CNN classifier trained on the most comprehensive therapeutic peptide database to date (54,655 peptides, 48 functional categories). A key contribution is a statistically motivated negative sampling strategy using Markov models to generate diverse synthetic decoys at multiple difficulty levels. When evaluated on this controlled decoy benchmark, the FRP is reduced from over 60% for previous models to 2.1% for our approach. Our fine-tuned five-model ensemble achieves 78.9% Micro F1 and 54.6% Macro F1 while requiring only amino acid sequences as inputs. Analysis using a sparse L1-constrained variant of our model shows that convolutional filters capture conserved functional motifs and statistically improbable non-therapeutic patterns, with downstream layers combining these signals, providing mechanistic evidence that the network learns biologically meaningful structure. In a generalization task on the TPpred-LE benchmark, our model achieves 55.3% Micro F1 and 38.6% Macro F1, comparable to TPpred-LE trained on its native dataset (57.9%/38.1%) while predicting four times more therapeutic functions with four times fewer parameters. Code and models will be made available at https://github.com/terra-quantum-public/tq-therapep-ai.

23.
arXiv (CS.LG) 2026-06-12

$\alpha$-fair heterogeneous agent reinforcement learning

arXiv:2606.13076v1 Announce Type: cross Abstract: Cooperation in multi-agent systems is typically optimized through utilitarian objectives that maximize overall efficiency but fail to account for reward distribution, often resulting in inequitable "leader-follower" dynamics. While fairness-based approaches encourage pro-social behaviors where every agent benefits from cooperation, many current algorithms - including those utilizing reward shaping - break the stationarity of Markov Games or lack rigorous theoretical guarantees. This creates a critical gap between fair objective methods and theoretically safe learning frameworks. We propose a novel framework that bridges $\alpha$-fairness with Heterogeneous-Agent Trust Region Learning (HATRL), ensuring monotonic improvement and convergence toward Nash Equilibria. Our approach leverages a fair advantage function that dynamically weights agent utilities based on their expected returns, allowing the global objective to transition from purely utilitarian efficiency to $\alpha$-fairness welfare based on the parameter $\alpha$. We introduce two practical algorithms, $\alpha$-fair HATRPO and $\alpha$-fair HAPPO, and demonstrate through experiments in sequential social dilemmas like CleanUp and CommonHarvest that they perform better than HATRL's algorithms from a utilitarian point of view while achieving socially higher outcomes.

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

Dual-Agent Framework for Cross-Model Verified Translation of Natural-Language Protocols into Robotic Laboratory Platform

arXiv:2606.20120v1 Announce Type: cross Abstract: Biological experiment protocols are written in natural language, whereas automation systems rely on predefined control commands, creating a semantic gap that limits autonomous execution. Microplate-based automatic experiments are particularly challenging due to the need to simultaneously control well mapping, sample-reagent combinations, replicate placement, and parallel dispensing. This study proposes an agent-based protocol translation framework that converts natural-language microplate-based protocols into executable control commands for a robotic laboratory platform. A Parser Agent formalizes the natural-language protocol into a structured representation, and a rule-based mapping engine deterministically incorporates the operational constraints of the robotic laboratory platform to generate device-level control commands. A heterogeneous LLM Validation Agent verifies completeness, parameter accuracy, and execution order, and triggers a self-correction loop with structured feedback when errors are detected. A sweep involving 7 Parsers and 3 Validators on randomly selected ELISA protocols evaluates how model scale and Validator type affect translation accuracy and pass rates under cross-model verification. The accuracy-latency trade-off is further verified by comparing the rule-based mapping of the proposed framework with LLM end-to-end direct mapping. Finally, Bradford assay-based protein quantification using a microplate was demonstrated on a robotic laboratory platform, validating end-to-end autonomous execution from natural-language protocols to real-world experiments. The proposed framework provides a flexible approach to narrowing the semantic gap between natural-language protocols and microplate-based self-driving laboratories.

25.
arXiv (CS.LG) 2026-06-17

Tensor-based second-order causal discovery

arXiv:2606.18074v1 Announce Type: cross Abstract: Causal discovery seeks to uncover the causal dependencies among variables. For this purpose, we propose an algorithm called Tensor-based Second-order Causal Discovery (TSCD). Its input is a tensor obtained from the covariance matrices of observational and interventional data. Assuming the causal dependencies follow a linear structural equation model on a directed acyclic graph (DAG), TSCD outputs the DAG and the functions on its edges, requiring only that the noise variables are uncorrelated. We also implement a version of the approach for nonlinear models. Our focus on second-order statistics (via the covariance matrices) is motivated by their statistical and computational efficiency relative to higher-order moments, their identifiability relative to first-order statistics, and that they work regardless of whether the variables are Gaussian. We show that TSCD has identifiable causal order and parameters from a number of interventions that is logarithmic in the number of variables. Experiments show that TSCD is robust to noise, competitive with existing methods, and scales to hundreds of variables.