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01.
arXiv (CS.CL) 2026-06-12

ChiKhaPo: A Large-Scale Multilingual Benchmark for Evaluating Lexical Comprehension and Generation in Large Language Models

Existing benchmarks for large language models (LLMs) are largely restricted to high- or mid-resource languages, and often evaluate performance on higher-order tasks in reasoning and generation. However, plenty of evidence points to the fact that LLMs lack basic linguistic competence in the vast majority of the world's 3800+ written languages. We introduce ChiKhaPo, consisting of 8 subtasks of varying difficulty designed to evaluate the lexical comprehension and generation abilities of generative models. ChiKhaPo draws on existing lexicons, monolingual data, and bitext, and provides coverage for 2700+ languages for 2 subtasks, surpassing any existing benchmark in terms of language coverage. We further show that 6 SOTA models struggle on our benchmark, and discuss the factors contributing to performance scores, including language family, language resourcedness, task, and comprehension versus generation directions. With ChiKhaPo, we hope to enable and encourage the massively multilingual benchmarking of LLMs.

02.
arXiv (CS.CV) 2026-06-17

ProCUA-SFT Technical Report

Training computer-use agents (CUAs) – models that interact with graphical desktops through screenshots and keyboard/mouse actions – requires large-scale, diverse trajectory data collected in full desktop environments. The largest public resource, AgentNet (22.5K human trajectories), leads to negative transfer when used for supervised fine-tuning (SFT): continuing training UI-TARS 7B on AgentNet causes OSWorld success rate to fall from 26.3% to 8-10%. We present ProCUA-SFT, a dataset of 3.1M step-level SFT samples distilled from 93K synthetic trajectories across 2,484 application combinations. The dataset is produced by a fully automated pipeline that (i) synthesizes grounded tasks on live desktops seeded with real-world content – 912 spreadsheets from SpreadsheetBench, approximately 10K permissively-licensed presentations from Zenodo10K, and multi-application OSWorld configs – and (ii) verifies each task's feasibility through binary precondition checking before rollout. A single VLM (Kimi-K2.5) serves as goal generator, precondition judge, and trajectory executor, eliminating planner-actor capability gaps. Each trajectory is expanded into step-prefix samples that exactly reproduce the context layout seen at inference time. Fine-tuning UI-TARS 7B on ProCUA-SFT for one epoch yields 45.0% on OSWorld – an 18.7 percentage-point improvement over the base model and over 35% above AgentNet-trained counterparts. A subset of ProCUA was incorporated into the training data for the Nemotron 3 Nano Omni model, contributing to its computer-use capabilities.

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

Trainable Photonic Measurement for Physics-Informed PDE Learning

arXiv:2606.18713v1 Announce Type: new Abstract: Photonic quantum machine learning offers a route to trainable physical representations built from phase, interference and measurement. However, its role in scientific machine learning remains largely unexplored. Physics-informed neural fields provide a natural setting, because differential equations require trial spaces that preserve phase, frequency and derivative structure. Here we introduce a photonic quantum neural field in which coordinates become trainable optical phases, are mixed by multi-photon Fock-space interference and are decoded from photon-number measurements. The photonic circuit is optimized as the neural-field representation itself, not as a fixed feature map or hardware accelerator. Photonic measurement is therefore a trainable representation on which the physics-informed residual is minimized. Across seven elliptic, wave, nonlinear dispersive and inverse PDE benchmarks, we observe a phase-complexity transition: classical coordinate and Fourier-feature networks suffice in smooth regimes, whereas the photonic field is most accurate when residual derivatives amplify phase mismatch. In the hardest regimes it gives the lowest errors, with margins reaching an order of magnitude and about one quarter of the trainable parameters of classical baselines. Frozen and shuffled controls, together with noise stress tests, attribute this gain to learned interference and stable Fock-probability readout under compound perturbations. These results identify photonic quantum measurement as a representation-learning principle for scientific machine learning.

04.
arXiv (CS.CV) 2026-06-17

Beyond Benchmarks: Continuous Edge Inference for Fine-Grained Roadside Perception

Continuous AI inference on resource-constrained edge hardware introduces deployment effects that are largely invisible to conventional benchmark evaluation, including temporal instability in streaming video, thermal throttling under sustained load, and workload-dependent performance variability. We present Edge-TSR, a deployment-oriented continuous edge inference system for sustained roadside perception on the NVIDIA Jetson Orin Nano. Edge-TSR integrates detection, tracking, fine-grained classification, and a lightweight track-aware temporal stabilization mechanism that improves streaming inference consistency with negligible computational overhead. Our central finding is that benchmark-centric evaluation systematically overstates deployed edge inference performance. Across three state-of-the-art baselines, we observe consistent 20-30% relative degradation when transitioning from static-image evaluation to real-world streaming deployment. Edge-TSR addresses this gap through temporal inference stabilization, recovering up to 10.16% classification accuracy over per-frame inference baselines while maintaining sustained real-time performance under continuous operation. We evaluate the complete system under diverse real-world deployment conditions, jointly characterizing inference quality, latency, throughput, and thermal behavior during long-duration operation. A 55-minute vehicular deployment over a 26 km route demonstrates sustained operation at 16.18 FPS within safe thermal limits on a single embedded device without cloud offload. Our findings show that deployment-aware evaluation and temporal inference stabilization are necessary components of continuously operating edge AI systems intended for real-world sensing deployments. We release a sample annotated streaming video evaluation dataset and full system implementation to support reproducible deployment-centric evaluation.

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

RankGraph-2: Lifecycle Co-Design for Billion-Node Graph Learning in Recommendation

arXiv:2606.18379v1 Announce Type: cross Abstract: Graph-based retrieval at billion-node scale requires jointly solving three tightly coupled problems – graph construction, representation learning, and real-time serving – yet existing work addresses each in isolation. We present RankGraph-2, a framework deployed at Meta that co-designs all three lifecycle stages for similarity-based retrieval (U2U2I and U2I2I), where each stage's requirements shape the others. Serving requires a co-learned cluster index to avoid expensive online KNN – this pushes index co-training into the training objective. Training benefits from the observation that similarity-based retrieval tolerates pre-computed neighborhoods, eliminating online graph infrastructure – this requires construction to produce self-contained data. Construction must also support hour-level refresh for item coverage. Acting on these cascading requirements, RankGraph-2 reduces hundreds of trillions of edges to hundreds of billions via subsampling with popularity bias correction, pre-computes multi-hop neighborhoods via personalized PageRank, and co-learns a residual-quantization cluster index that reduces serving computational cost by 83%. This lifecycle co-design enables a simple architecture to achieve 3.8 x higher recall than a GAT + Deep Graph Infomax model on a bipartite graph and 2.1 x higher than PyTorch-BigGraph on item retrieval. RankGraph-2 delivers up to +0.96% CTR and +2.75% CVR, and has powered 20+ retrieval launches across major surfaces.

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

On the Reliability of Cue Conflict and Beyond

Understanding how neural networks rely on visual cues offers a human-interpretable view of their internal decision processes. The cue-conflict benchmark has been influential in probing shape-texture preference and in motivating the insight that stronger, human-like shape bias is often associated with improved in-domain performance. However, we find that the current stylization-based instantiation can yield unstable and ambiguous bias estimates. Specifically, stylization may not reliably instantiate perceptually valid and separable cues nor control their relative informativeness, ratio-based bias can obscure absolute cue sensitivity, and restricting evaluation to preselected classes can distort model predictions by ignoring the full decision space. Together, these factors can confound preference with cue validity, cue balance, and recognizability artifacts. We introduce REFINED-BIAS, an integrated dataset and evaluation framework for reliable and interpretable shape-texture bias diagnosis. REFINED-BIAS constructs balanced, human- and model- recognizable cue pairs using explicit definitions of shape and texture, and measures cue-specific sensitivity over the full label space via a ranking-based metric, enabling fairer cross-model comparisons. Across diverse training regimes and architectures, REFINED-BIAS enables fairer cross-model comparison, more faithful diagnosis of shape and texture biases, and clearer empirical conclusions, resolving inconsistencies that prior cue-conflict evaluations could not reliably disambiguate.

08.
arXiv (CS.LG) 2026-06-18

SCAN: Enhance Time Series Anomaly Detection via Multi-Scale Neighborhood-Centered Clustering

arXiv:2606.19255v1 Announce Type: new Abstract: Time series anomaly detection plays a crucial role in a wide range of real-world applications. Reconstruction-based methods have become the mainstream paradigm, but they suffer from over-generalization and under-generalization problems, which are challenging to balance. To address this, we introduce multi-scale clustering to enhance reconstruction-based methods. At the representation level, we integrate the cluster center representations of normal patterns to constrain the model to target representative normal patterns for reconstruction, preventing dominance of powerful capacity and representation capability. At the anomaly criterion level, we derive anomaly confidence score based on cluster membership probability and combine it with reconstruction error, providing dual criteria for detection. Furthermore, the effectiveness of the cluster center representations and anomaly confidence score depends on the clustering performance. Accordingly, we extract neighborhood-centered representations for multi-view clustering to improve clustering performance. Extensive experiments on multiple real-world datasets from diverse application domains demonstrate the state-of-the-art performance of SCAN.

09.
arXiv (quant-ph) 2026-06-16

Preparation of Fractional Quantum Hall States on Quantum Computers

arXiv:2606.16548v1 Announce Type: new Abstract: The realization of fractional quantum Hall (FQH) states, characterized by fractional charge and intrinsic topological order, on quantum computers represents a central challenge at the interface of condensed matter physics and quantum information science. Current methods are grouped into two types: methods based on (quasi-)adiabatic evolution of complex parent Hamiltonians to yield target states, and circuit-based approaches for direct state preparation, which are confined to effectively one-dimensional systems near the thin cylinder or torus limit. We introduce a complementary scheme relying on direct quantum circuit construction, which works for arbitrary geometries. Specifically, we present a method to precisely prepare the $\nu=1/3$ Laughlin state on the sphere geometry and demonstrate that it significantly reduces the required number of two-qubit gates and circuit depth, compared to variational quantum circuit approaches. In addition, we employ optimal control techniques to design control pulses for both superconducting and Rydberg atom platforms, identifying experimentally feasible protocols for state preparation. Our results provide an efficient and hardware-relevant pathway for realizing generic FQH states on both noisy intermediate-scale and fault-tolerant quantum devices.

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

Toward Accessible Psychotherapy Training Using AI-Driven Interactive Patient Avatars

Training psychotherapists in evidence-based interventions such as Acceptance and Commitment Therapy (ACT) requires repeated practice with meaningful feedback, yet opportunities for safe, standardized training are limited by ethical, logistical, and resource constraints. We introduce a system designed to support ACT-oriented psychotherapy training through spoken dialogue with an embodied virtual patient. The system uses large language models to simulate patient behavior conditioned on profiles derived from real therapy sessions and configurable clinical scenarios, while a separate automated evaluator provides turn-by-turn feedback on therapist responses based on established ACT fidelity criteria. Rather than aiming to replace supervision, the system is intended to support deliberate practice by enabling experimentation, reflection, and immediate feedback in low-risk settings. Expert evaluation with practicing psychologists confirmed high realism in patient behavior and demonstrated that immediate turn-by-turn ACT feedback increased therapists' awareness of intervention choices and enabled effective experimentation with alternative responses. Quantitative evaluation across 49 therapy transcripts identified GPT-4o-mini as the optimal feedback model, achieving the lowest mean absolute error (MAE = 6.12) in replicating human supervisor ACT fidelity ratings with statistically significant agreement. This work demonstrates the potential of fidelity-aware simulated patients as a scalable complement to psychotherapy training.

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

The Integrator Advantage: Controlled Agentic AI for Small and Medium-Sized Companies

arXiv:2606.16649v1 Announce Type: new Abstract: Agentic AI marks a new phase of enterprise automation. Unlike traditional automation or conversational AI, agentic systems can interpret goals, plan multi step tasks, access tools, interact with enterprise systems, and execute workflows with varying degrees of autonomy. For small and medium sized companies, this creates potential to reduce administrative burden, accelerate routine processes, and improve the use of organizational knowledge. This paper argues that the near term value of Agentic AI does not lie in full autonomy or workforce reduction, but in controlled partial autonomy for simple and medium complexity business processes. It proposes an integration framework covering use case suitability, autonomy levels, technical integration, governance, security, employee enablement, and measurable impact. The paper concludes that Agentic AI can become a productivity lever when implemented as a human centered capability with responsibility and accountability retained by people.

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

Efficient On-Device Diffusion LLM Inference with Mobile NPU

arXiv:2606.13740v1 Announce Type: new Abstract: Diffusion large language models (dLLMs) accelerate generation by denoising multiple tokens in parallel, making them attractive for latency-sensitive mobile inference. However, repeated denoising introduces substantial computation on smartphones. Mobile neural processing units (NPUs) offer high-throughput dense matrix computation, but efficiently exploiting them remains challenging: token commitment shrinks per-block effective workloads, token revision complicates KV cache reuse, and limited NPU-visible address space incurs costly remapping and data transfer overheads. In this paper, we propose llada.cpp, the first NPU-aware inference framework for accelerating dLLMs on smartphones. llada.cpp aligns block-wise dLLM inference with the execution characteristics of mobile NPUs through three techniques. (1) Multi-Block Speculative Decoding fills the shrinking workload in late-stage current-block decoding with speculative future-block tokens. (2) Dual-Path Progressive Revision keeps committed tokens revisable until stable and refreshes unstable tokens through a CPU-side path without stalling dense NPU execution. (3) Swap-Optimized Memory Runtime compacts NPU-visible address layouts and overlaps data staging with NPU computation to reduce remapping and transfer overheads. We implement llada.cpp as an end-to-end framework and evaluate it across diverse hardware platforms and dLLM workloads. llada.cpp reduces LLaDA-8B generation latency by 17x-42x over the CPU baseline with prefix KV cache reuse, while preserving generation quality.

13.
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.

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

Urdu Katib Handwritten Dataset: A Historical Document Dataset for Offline Urdu Handwritten Text Recognition with CRNN-Based Baseline Evaluation

Automatic Handwritten Text Recognition (HTR) is inherently a challenging task, and its complexity is further increased when dealing with cursive scripts. Although significant efforts have been made on various cursive scripts, research regarding Urdu Handwritten Text Recognition (UHTR) has been relatively limited. This lag of research is primarily due to the unique challenges posed by its script, and the scarcity and unavailability of benchmark datasets. Therefore, to advance research in UHTR, this study presents a specialized real dataset called the Urdu Katib Handwritten Dataset (UKHD). To the best of our knowledge, this is the first offline Urdu handwritten text lines dataset specifically curated from the materials written by Katibs in historical times. It encompasses a diverse range of flat nib writing variations in the Nastalique calligraphic style. Additionally, the effectiveness of different CRNN-based hybrid models has been evaluated to identify the optimal architecture for Urdu Katib Handwriting Recognition (UKHR). Among the analyzed models, the CNN-BGRU-CTC model showed more robust performance, with low Character Error Rate (CER) and Word Error Rate (WER). This research work aims to support and encourage the research community in developing a robust recognition system for preserving Urdu handwritten literature.

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

Fragile Knowledge, Robust Instruction-Following: The Width Pruning Dichotomy in Llama-3.2

作者:

Structured width pruning of GLU-MLP layers in Llama-3.2 models, guided by the Peak-to-Peak Magnitude (PPM) criterion, reveals a systematic dichotomy in how reducing the expansion ratio affects different model capabilities. While performance on tasks relying on parametric knowledge (e.g., MMLU, GSM8K) and perplexity metrics degrades predictably with decreasing expansion ratios, instruction-following capabilities improve at the 2.4x equilibrium ratio (IFEval: +4.8 points / +46% in Llama-3.2-1B and +3.7 points / +39% in Llama-3.2-3B), and multi-step reasoning remains robust (MUSR). This pattern, observed consistently across both evaluated model sizes, challenges the prevailing assumption in compression research that pruning induces uniform degradation. To investigate this, we evaluated seven expansion ratio configurations using comprehensive benchmark suites that assess factual knowledge, mathematical reasoning, language comprehension, instruction-following, and truthfulness. Our analysis identifies the expansion ratio as a critical architectural parameter that selectively reshapes the model's task performance profile, rather than merely serving as a compression metric.

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

Improving Generalization and Data Efficiency with Diffusion in Offline Multi-agent RL

arXiv:2307.01472v2 Announce Type: replace Abstract: We present a novel Diffusion Offline Multi-agent Model (DOM2) for offline Multi-Agent Reinforcement Learning (MARL). Different from existing algorithms that rely mainly on conservatism in policy design, DOM2 enhances policy expressiveness and diversity based on diffusion model. Specifically, we incorporate a diffusion model into the policy network and propose a trajectory-based data-reweighting scheme in training. These key ingredients significantly improve algorithm robustness against environment changes and achieve significant improvements in performance, generalization and data-efficiency. Our extensive experimental results demonstrate that DOM2 outperforms existing state-of-the-art methods in all multi-agent particle and multi-agent MuJoCo environments, and generalizes significantly better to shifted environments {(in $28$ out of $30$ settings evaluated)} thanks to its high expressiveness and diversity. Moreover, DOM2 is ultra data efficient and requires no more than $5\%$ data for achieving the same performance compared to existing algorithms (a $20\times$ improvement in data efficiency).

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

VL-DINO: Leveraging CLIP Vision-Language Knowledge for Open-Vocabulary Object Detectio

Vision-language models like CLIP can provide rich semantic priors for open-vocabulary object detection. However, jointly integrating both textual and visual knowledge into detection architectures remains challenging. In this paper, we propose VL-DINO, an open-vocabulary detector that enhances DINO through more effective exploitation of CLIP's vision-language knowledge. Specifically, a Query-guided Positive Sample Construction (QPSC) module is first developed to construct additional high-quality positive samples, enabling the vanilla DINO framework to better accommodate mixed training across heterogeneous data sources while providing more vision-language alignment signals, thereby incorporating richer textual knowledge during training. A Visual Semantic Encoder (VSE) module is then introduced to distill CLIP visual knowledge into backbone-extracted features, producing fused features for subsequent encoder refinement. Based on the fused features, an Object-Region Semantic Alignment (ORSA) module extracts object-centric region features and aligns them with the corresponding textual embeddings, further incorporating textual cues. In the zero-shot setting, VL-DINO-T and VL-DINO-L achieve 36.3 and 38.1 AP on the LVIS benchmark, respectively, consistently outperforming prior advanced approaches. Extensive experiments demonstrate the effectiveness and competitive performance of the proposed design.

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

A Neural Network Framework for Geodesic-Like Curve Computation on Parametric Surfaces

arXiv:2606.18759v1 Announce Type: cross Abstract: The concept of geodesic-like curves was introduced by Chen in 2010 as a method for estimating shortest paths (geodesics) on parametric surfaces, with its convergence established theoretically. However, an efficient numerical computational framework has not yet been developed. In this paper, we propose an elegant and efficient approach for computing geodesic-like curves by leveraging deep learning and Physics-Informed Neural Networks (PINNs). Under the proposed framework, not only can single parametric surfaces be handled efficiently, but a broad class of complex parametric surfaces including multi-surface systems with $C^0$ or higher continuity and surfaces of revolution can also be robustly addressed.

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

Be Your Own Teacher: Steering Protein Language Models via Unsupervised Reward Optimization

arXiv:2606.18961v1 Announce Type: new Abstract: Protein language models (PLMs) have emerged as powerful tools for controllable biomolecular design, yet their post-training adaptation typically relies on costly wet-lab validation or curated preference datasets. To overcome this supervision bottleneck, we introduce unsupervised reward optimization of PLMs, a comprehensive framework for steerable protein generation without ground-truth labels. Our key insight is that task-agnostic rewards, which combine intrinsic model uncertainty with extrinsic semantic consistency informed by protein representation models, exhibit strong correlation with controllability measures across base models and temperature regimes. Building upon this discovery, we propose two offline algorithms: Soft Reward Optimization (SRO) and Binarized Reward Optimization (BRO), which effectively maximize the classical RLHF objective induced by these proxy rewards. Extensive experiments on compositional out-of-distribution prompts demonstrate that both methods significantly outperform competitive baselines (DPO, KTO), while approaching oracle performance across multiple sampling temperatures, model scales and protein families. Moreover, PLMs fine-tuned with unsupervised rewards can achieve consistently higher coverage compared to their base model in pass@k evaluations. By enabling self-improvement of PLMs through their own generated experience, our framework provides a scalable pathway toward controllable biomolecular design in settings where labeled preferences or experimental feedback are scarce or unavailable.

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

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

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

Learning task-specific subspaces via interventional post-training of speech foundation models

Speech foundation models, pre-trained on large corpora of unlabelled speech data, produce general-purpose representations which are useful across tasks. However, these representations encode information about salient speech variables in a distributed manner, while downstream speech tasks rely on only some of this variability. In this work, we propose a post-training refinement approach using interventional contrastive learning. By leveraging an interventional dataset and multi-part contrastive loss, we learn a transformation from the entangled representation space of speech foundation models into separate content and speaker subspaces. We evaluate the learnt representations on speaker verification and keyword spotting tasks, showing improved out-of-domain speaker verification performance and evidence that speaker and content information are separated across the learned subspaces.

22.
arXiv (CS.LG) 2026-06-11

Range-Aware Bayesian Optimization for Discovering Diverse Designs within Target Property Windows

arXiv:2606.11574v1 Announce Type: new Abstract: In many materials and product design problems, desirable candidates exhibit properties that fall within an acceptable range rather than achieve a single optimum. Recovering multiple, distinct solutions that satisfy such specifications is also practically valuable, as some candidates may be preferred for reasons of cost, processability, or robustness that are difficult to encode directly in an objective function. Here, we develop a range-aware Bayesian optimization (BO) framework in which the acquisition function directly scores the posterior probability that a candidate satisfies a target range. The framework naturally extends to parallel pursuit of multiple distinct specifications over a shared candidate space. Across benchmark tasks, range-aware acquisition consistently recovers larger and more diverse sets of valid designs than standard BO baselines and recent goal-seeking methods. Its utility is further demonstrated in two practically motivated design case studies involving optimizing reaction conditions for polymer synthesis and sequence-defined oligomer discovery for prescribed optical absorption bands, supported by quantum chemical calculations. These results suggest that range-aware BO can provide a practical and sample-efficient foundation for specification-driven design, particularly when design flexibility and solution diversity are important considerations.

23.
arXiv (CS.LG) 2026-06-16

FlowRL: A Taxonomy and Modular Framework for Reinforcement Learning with Diffusion Policies

arXiv:2603.27450v2 Announce Type: replace Abstract: Thanks to their remarkable flexibility, diffusion models and flow models have emerged as promising candidates for policy representation. However, efficient reinforcement learning (RL) upon these policies remains a challenge due to the lack of explicit log-probabilities for vanilla policy gradient estimators. While numerous attempts have been proposed to address this, the field lacks a unified perspective to reconcile these seemingly disparate methods, thus hampering ongoing development. In this paper, we bridge this gap by introducing a comprehensive taxonomy for RL algorithms with diffusion/flow policies. To support reproducibility and agile prototyping, we introduce a modular, JAX-based open-source codebase that leverages JIT-compilation for high-throughput training. Finally, we provide systematic and standardized benchmarks across Gym-Locomotion, DeepMind Control Suite, and IsaacLab, offering a rigorous side-by-side comparison of diffusion-based methods and guidance for practitioners to choose proper algorithms based on the application. Our work establishes a clear foundation for understanding and algorithm design, a high-efficiency toolkit for future research in the field, and an algorithmic guideline for practitioners in generative models and robotics. Our code is available at https://github.com/typoverflow/flow-rl.

24.
bioRxiv (Bioinfo) 2026-06-21

Antibody-Antigen Affinity Prediction with Chain-Aware Protein Language Modeling

Motivation: Antibody-antigen affinity determines which antibodies advance in therapeutic discovery, repertoire analysis and affinity maturation, but experimental measurements are sparse relative to the scale of sequence libraries. Structure-based predictors can exploit interface geometry when reliable complexes are available, yet early discovery often requires ranking many heavy-light chain pairs against antigens for which no complex structure exists. Existing sequence-based models are scalable, but frequently compress heavy and light chains into a single antibody representation or concatenate antibody and antigen features obscuring the chain-specific and epitope-specific signals that drive binding. Results: We present AbAffinity, a sequence-only chain-aware three-stream architecture that maintains heavy chain, light chain and antigen as distinct streams. It integrates frozen ESM-2 embeddings with heavy-chain CDR-focused pooling, heavy-light self-attention, adaptive fusion gating and gated cross-attention, training only a compact interaction module. On the SAAINT-DB benchmark, AbAffinity achieves strong predictive performance under ten-fold cross-validation and maintains robust accuracy on novel antigens. It consistently outperforms recent sequence-based models across external benchmarks including SAbDab, AB-Bind and SKEMPI 2.0. Ablation studies highlight the contributions of chain-specific representations, CDR-focused pooling and the gated interaction pathway. Integrated Gradients attributions recover known paratope and epitope residues at structurally validated interfaces. AbAffinity provides a lightweight, explainable sequence-first framework for antibody triage and prioritisation when structural information is limited or unavailable.

25.
arXiv (CS.AI) 2026-06-18

Conflict-Aware Retriever Editing for Knowledge Injection Attacks on LLM-Based RAG Systems

arXiv:2606.18310v1 Announce Type: cross Abstract: Injecting malicious knowledge into retrieval-augmented generation (RAG) systems can manipulate retrieved evidence and mislead downstream generation, posing a serious security threat for AI applications. Existing RAG injection attacks mainly rely on manipulating external knowledge bases, such as crafting malicious corpus. However, the synthetic text crafted by such data-centric methods could be detectable, leading to the failure of attacks. Beyond corpus manipulation, open-source retrievers are increasingly exposing RAG systems to model-centric attacks. In this paper, we propose conflict-aware retriever editing, i.e., CAREATTACK, a model-centric retriever attack framework for malicious knowledge injection in RAG. Specifically, CAREATTACK consists two stages of conflict-aware retriever editing and attack-preserving anchor repair. Conflict-aware retriever editing adapts efficient closed-form parameter editing to the dense retrieval model, promoting malicious knowledge above benign competing passages and resolving potential parameter conflicts through graph-based conflict detection and parameter editing projection. Then, attack-preserving anchor repair performs lightweight calibration on the edited retriever to further eliminate the impact on non-target prompts while preserving the attack effectiveness for target prompts. We instantiate CAREATTACK on Qwen3-Embedding-0.6B and BGE-M3, and conduct evaluation on three benchmark datasets. Experimental results demonstrate our method substantially promote malicious passages into the retrieved knowledge of RAG systems and can perform attacks for batches of target prompts and passages, given the access of retrieval model parameters. Since most RAG systems are built upon open-source retrieval models, this work reveals a practical attack surface in RAG systems. Codes are public accessible at https://anonymous.4open.science/r/CareAttack-3F1C.