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

SoftMoE: Soft Differentiable Routing for Mixture-of-Experts in LLMs

arXiv:2606.17952v1 Announce Type: cross Abstract: Sparse Mixture-of-Experts (MoE) architectures enable scaling LLM parameters under a fixed inference budget by activating only a small subset of experts via top-$k$ routing. While this preserves causality and suits autoregressive language models, the discrete top-$k$ operator is not differentiable, forcing a fixed number of active experts per input and resulting in inefficient use of computation. We propose SoftMoE, which replaces discrete routing with a truncated soft top-$k$ LapSum relaxation, allowing gradient-based optimization of expert routing. We further parameterize the mean number of active experts per layer and impose a global budget constraint, enabling the model to learn how to allocate expert capacity across layers. SoftMoE remains fully compatible with autoregressive modeling and achieves performance comparable to or better than sparse MoE on language modeling and downstream tasks, while activating significantly fewer experts. Notably, the learned allocation is highly non-uniform, with later layers activating more experts. The source code is publicly available$^\dagger$.

02.
arXiv (CS.AI) 2026-06-24

Invariant Graph Representations for Continuous-Time Dynamic Graphs Under Distribution Shifts

arXiv:2405.19062v2 Announce Type: replace-cross Abstract: Continuous-Time Dynamic Graphs (CTDGs) enable fine-grained modeling of evolving relational systems. However, most existing CTDG representation learning methods are tailored to in-distribution settings and exhibit limited robustness under out-of-distribution (OOD) shifts. Although recent causal approaches learn invariant representations via interventions, they are primarily designed for static or discrete-time graphs and become computationally prohibitive for CTDGs due to the combinatorial explosion of structural and temporal variations. To address these challenges, we propose CIR, a framework grounded in a novel structural causal model termed the ICCM. To avoid exhaustive interventions, we leverage the Normalized Weighted Geometric Mean (NWGM) to efficiently approximate interventional predictions. We further instantiate ICCM within a practical deep learning architecture that jointly captures invariant structural and temporal patterns through dedicated subgraph extractors, and maintains an environment memory bank to model distributional shifts across evolving contexts. Extensive experiments demonstrate that CIR consistently outperforms existing methods under diverse OOD scenarios.

03.
arXiv (quant-ph) 2026-06-24

Linear-Time Encodable and Decodable Quantum Error-Correcting Codes

arXiv:2603.04543v2 Announce Type: replace Abstract: Recent years have seen rapid development in the subject of quantum coding theory, with breakthroughs on many exciting classes of codes, including quantum LDPC codes, quantum locally testable codes, and quantum codes with interesting transversal gates. However, a natural class of quantum codes, which has been well-studied classically, has not yet been treated: those which can be quickly encoded and decoded. This problem concerns the channel capacity setting, where a noise channel sits between perfect encoding and unencoding/decoding operations; this is the setting that is relevant for communication between fault-tolerant quantum computers. In this work, we construct asymptotically good quantum codes that can be encoded and unencoded by quantum circuits of logarithmic depth and consisting of a linear total number of gates. The classical decoding algorithms also run in logarithmic depth and use $\mathcal{O}(n \log n)$ gates, or alternatively a linear number of gates but with higher depth. We further construct explicit and asymptotically good quantum codes whose encoding, unencoding and decoding all use a linear number of gates, and additionally whose encoding and unencoding may be run in logarithmic depth.

04.
arXiv (CS.AI) 2026-06-19

Exit-and-Join Dynamics for Decentralized Coalition Formation

作者:

arXiv:2606.19683v1 Announce Type: new Abstract: This paper studies coalition formation as a decentralized dynamical process driven by unilateral exit-and-join decisions. Agents evaluate local moves using the Aumann-Dreze value, so payoffs are computed within the agent's current coalition rather than through a globally negotiated coalition structure. The resulting model links cooperative payoff allocation with noncooperative best-response behavior: a terminal partition is precisely a coalition structure with no admissible, individually profitable exit-and-join deviation. We establish equilibrium characterizations, identify conditions under which the dynamics admit scalar Lyapunov or exact-potential representations, and analyze how switching and acceptance costs shape local stability. Numerical experiments test finite-time stabilization, cost sensitivity, and a special convex-game benchmark.

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

SoK: AI Secure Code Generation: Progress, Pitfalls, and Paths Forward

arXiv:2606.25195v1 Announce Type: cross Abstract: The increasing use of AI systems for code generation raises a central security question: what can today's models and coding agents actually do to produce secure code, where do they still fail, and what would move the field forward? Existing work has explored prompting, fine-tuning, reinforcement learning, and agentic workflows for secure code generation, but the field still lacks a systematic understanding of how these techniques improve security and why substantial failures persist. In this SoK, we systematize the progress, pitfalls, and paths forward for AI secure code generation. We introduce a three-level framework that measures models' natural-language understanding of secure coding principles, their code-level actuation of those principles during generation, and the knowledge–actuation gaps between the two. We instantiate this framework across models and coding agents on benchmarks covering both isolated function-level security and full web-application security. Our results show that secure-coding-principle understanding is a statistically strong predictor of code-level outcomes, including functional correctness, security, and joint functional-security correctness. Yet substantial knowledge–actuation gaps remain: models can recognize relevant security principles but still fail to translate them into secure and functional code. These findings offer a principle-centered account of where AI secure code generation stands today and identify concrete paths forward through principle-guided generation, evaluation, benchmarking, and agentic workflows.

06.
Nature (Science) 2026-06-24

‘Megacluster’ of genes enables bacteria to make potent antibiotic mixture

Soil bacteria make cocktails of molecules that synergistically inhibit the growth of microbial pathogens — suggesting a strategy for tackling antibiotic-resistant infections. Soil bacteria make cocktails of molecules that synergistically inhibit the growth of microbial pathogens — suggesting a strategy for tackling antibiotic-resistant infections.

07.
arXiv (CS.AI) 2026-06-24

Multimedia and Visual Analytics in the Agentic Era

arXiv:2504.06138v3 Announce Type: replace-cross Abstract: Professional users need tools to help them gain actionable insights from large multimedia collections. Foundation models and AI agents have rapidly changed the playing field, and improving their accuracy, trustworthiness, and reasoning capabilities are active topics in the computer vision, machine learning, and multimedia communities. Most current research focuses on benchmark driven algorithmic improvements. The multimedia community is the place to go beyond algorithms and consider complete multimedia analytics systems that support professional users in their complex tasks and achieve a true teaming of humans and AI. Supporting users with machine learning and visualizations has been studied for decades in the visual analytics field. In this paper, we propose a framework to bring multimedia and visual analytics together and indicate how it could impact current and new multimedia analytics solutions. Additional information can be found at https://staff.fnwi.uva.nl/m.worring/analytics-model.html

08.
arXiv (CS.CV) 2026-06-25

ReaDy-Go: Real-to-Sim Dynamic 3D Gaussian Splatting Simulation for Environment-Specific Visual Navigation with Moving Obstacles

Visual navigation models often struggle in real-world dynamic environments due to limited robustness to the sim-to-real gap and the difficulty of training policies tailored to target deployment environments (e.g., households, restaurants, and factories). Although real-to-sim navigation simulation using 3D Gaussian Splatting (GS) can mitigate these challenges, prior GS-based works have considered only static scenes or non-photorealistic human obstacles built from simulator assets, despite the importance of safe navigation in dynamic environments. To address these issues, we propose ReaDy-Go, a novel real-to-sim simulation pipeline that synthesizes photorealistic dynamic scenarios in target environments by augmenting a reconstructed static GS scene with dynamic human GS obstacles, and trains navigation policies using the generated datasets. The pipeline provides three key contributions: (1) a dynamic GS simulator that integrates static scene GS with a human animation module, enabling the insertion of animatable human GS avatars and the synthesis of plausible human motions from 2D trajectories, (2) a navigation dataset generation framework that leverages the simulator along with a robot expert planner designed for dynamic GS representations and a human planner, and (3) robust navigation policies to both the sim-to-real gap and moving obstacles. The proposed simulator generates thousands of photorealistic navigation scenarios with animatable human GS avatars from arbitrary viewpoints. ReaDy-Go outperforms baselines across target environments in both simulation and real-world experiments, demonstrating improved navigation performance even after sim-to-real transfer and in the presence of moving obstacles. Moreover, zero-shot sim-to-real deployment in an unseen environment indicates its generalization potential. Project page: https://syeon-yoo.github.io/ready-go-site/.

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

QueryMarket: Cost-Aware Online Active Learning in Data Markets

arXiv:2606.17805v1 Announce Type: new Abstract: Data acquisition is a major bottleneck for learning in real-time streams: analysts must decide on the fly which labels to purchase while respecting a rolling budget. However, existing online active learning rarely unifies pricing, information gain, and rolling budget constraints under concept drift. We introduce QueryMarket, a market-inspired framework that queries each incoming data point based on its estimated utility to the model and its price. Within this framework, we propose OVBAL (online variance-based active learning), which integrates data pricing with information-driven selection by estimating each sample's marginal utility via a D-optimality criterion with exponential forgetting and executing cost-aware purchases under rolling budget constraints. OVBAL yields a simple, fully online decision rule that adapts to nonstationary streams and heterogeneous label costs. Experiments on synthetic data and a real-world solar power generation forecasting task show that OVBAL is particularly effective under seller-centric pricing and yields a more favorable long-run error-cost trade-off in the real-world task under both pricing schemes.

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

Near-Optimal Stochastic Linear Bandits with Delay

arXiv:2606.16656v1 Announce Type: new Abstract: We study stochastic linear bandits with delayed feedback under several delay models and establish near-optimal regret guarantees. Our results identify when delayed linear bandits exhibit the same qualitative behavior as multi-armed bandits (MAB), and when the linear structure creates fundamentally new challenges. Specifically, (1) for loss-independent delays, where the delay does not depend on the realized loss (but potentially depends on the arm), we show that delays incur only an additive regret penalty. Under stochastic delays, this penalty scales with the expected delay, while under adversarial delays, it scales with the maximum number of outstanding observations. Notably, both delay penalties are dimension-free, improving upon the state-of-the-art results; (2) for loss-dependent delays, we show that linear bandits are substantially harder than MAB: unlike in MAB, we prove matching (up to log factors) upper and lower bounds in linear bandits, whose delay penalty depends on the square root of the dimension. (3) for the delay-as-payoff model, a special case of loss-dependent delay, we show that the optimal MAB guarantee, which depends only on the delay of the optimal arm, is also unattainable in linear bandits. Together, these results provide a sharp characterization of how delayed feedback interacts with linear generalization.

11.
bioRxiv (Bioinfo) 2026-06-11

GeroQubit: a lightweight, honesty-first de-novo design platform for geroscience-native small molecules with calibrated uncertainty

作者:

Computational molecule generation has outpaced its own credibility. We present GeroQubit, a GPU-free de-novo design platform that organizes candidates along a target x tissue x hallmark model and reports every signal alongside its measured baseline. We treat our tissue aging-signature readout as a mechanistic structural prior that we explicitly disclose is not validated against lifespan, and we surface efficacy only through a structure-to-lifespan k-NN whose weak but real signal (leave-one-out rho ~ 0.145) is wrapped in empirically-calibrated conformal intervals (90% target, 90.3% measured coverage). On a held-out retrospective recovery of ~1,940 ChEMBL binders against decoys, the score reaches ROC-AUC 0.945 with ~20x enrichment at 1% (BEDROC 0.91) and survives a scaffold-disjoint split - yet we report that it collapses to near-random (AUC 0.62) on genuinely novel chemotypes. Molecules are assembled reaction-first, so every candidate carries a verified synthetic route and atom-level synthon provenance; ADMET is handled as a multi-objective Pareto problem. We frame the disclosed weak signals and the hard-case failures not as flaws but as the honest, decision-useful output the field's own critics demand.

12.
arXiv (quant-ph) 2026-06-25

Quantum-inspired Topographic Stereovision

arXiv:2606.02197v2 Announce Type: replace Abstract: We revisit the conventional triangulation in distant stereovision, when shape rather than distance is the relevant observable. We show through the information-regret analysis that the optimal measurements for absolute distance and relative topography are unexpectedly different and incompatible, exposing an observable-measurement mismatch. To resolve this, we introduce stereo regularization to address stereo anisotropies that violate prevailing emitter-number conservation. Accordingly, we propose a topographic interferometer, which exploits cross-detector correlations to probe topography without measuring the distance profile. Our Fizeau-imaging interferometer turns parallax paths into Mach-Zehnder arms and employs a central path as the local oscillator for balanced homodyne detection, saturating the quantum Fisher information with improved topographic error scaling. This enables topographic stereovision of thermal sources beyond the Rayleigh limit, with feasible experimental demonstrations within existing techniques for remote sensing and astronomy.

13.
arXiv (CS.CL) 2026-06-16

Multi-Turn Reflective Masking Elicits Reasoning in Mask Diffusion Models

While reasoning on autoregressive (AR) models is often performed by chain-of-thought reasoning and reflection, their refinement of previous outputs still relies on fully sequential generation, even when only local edits are needed. In contrast, the masking mechanism in Mask Diffusion Models (MDMs) naturally supports explicit local edits on previous outputs, allowing selective refinement without discarding previous answers and generating another from scratch. While this property more closely aligns with how humans correct mistakes by iterative local refinement, existing MDMs do not support multi-turn masking and denoising. We propose Reflective Masking (RM), which elicits such an intrinsic reasoning capability in MDMs via lightweight post-training. RM provides a native test-time scaling, where an MDM iteratively revisits and revises its prior outputs based on evolving context. To exploit insights from previous turns like AR reasoning, we further introduce History Reference, a parameter-free mechanism that leverages intermediate denoising states during revision. Our approach requires no architectural changes and is easily applicable to existing MDMs. Across diverse tasks and modalities, including text generation, Sudoku, and image editing, Reflective Masking consistently outperforms standard masking-based baselines and demonstrates strong generality, positioning RM as a fundamental primitive for reasoning on MDMs.

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

RSRCC: A Remote Sensing Regional Change Comprehension Benchmark Constructed via Retrieval-Augmented Best-of-N Ranking

Traditional change detection identifies where changes occur, but does not explain what changed in natural language. Existing remote sensing change captioning datasets typically describe overall image-level differences, leaving fine-grained localized semantic reasoning largely unexplored. To close this gap, we present RSRCC, a new benchmark for remote sensing change question-answering containing 126k questions, split into 87k training, 17.1k validation, and 22k test instances. Unlike prior datasets, RSRCC is built around localized, change-specific questions that require reasoning about a particular semantic change. To the best of our knowledge, this is the first remote sensing change question-answering benchmark designed explicitly for such fine-grained reasoning-based supervision. To construct RSRCC, we introduce a hierarchical semi-supervised curation pipeline that uses Best-of-N ranking as a critical final ambiguity-resolution stage. First, candidate change regions are extracted from semantic segmentation masks, then initially screened using an image-text embedding model, and finally validated through retrieval-augmented vision-language curation with Best-of-N ranking. This process enables scalable filtering of noisy and ambiguous candidates while preserving semantically meaningful changes. The dataset is available at https://huggingface.co/datasets/google/RSRCC.

15.
arXiv (CS.CL) 2026-06-24

Thinking While Speaking: Inference-Time Knowledge Transfer for Responsive and Intelligent Conversational Voice Agents

Voice agents face a fundamental tension: the reasoning, retrieval, and tool use that make foundation models capable are iterative and slow, while conversational interaction demands responses on a millisecond timescale. Smaller, real-time models meet the latency bar but cannot match foundation models on complex tasks, leaving current voice agents to trade away either responsiveness or capability. We introduce conversational infill, where a small talker model both immediately generates contextually grounded responses to hide the latency of an external reasoner model and fluently integrates streamed reasoner knowledge into its responses during inference. We curate a 290,571-example synthetic dataset spanning six domains and demonstrate that this task is learnable across seven widely used small language models ranging from 135M to 1.7B parameters. Our system implementation, ConvFill, sustains millisecond-level time-to-first-response while closing the accuracy gap to within 6.3% of the corresponding frontier reasoner performance. In a live user study (n=18) with talker deployments running on an Apple M2 SoC, participants rank ConvFill on par with frontier models overall, prefer it for retrieval-heavy tasks, and rate it significantly more responsive. These results show that conversational infill unlocks a new point on the latency-capability Pareto frontier, offering a practical path toward voice agents that are both responsive and highly capable. Code, models, and datasets are available at https://github.com/vysri/conversational-infill.

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

Wasserstein Convergence of ODE-Based Samplers in Decentralized Diffusion Model via Velocity Field Decomposition

arXiv:2606.15835v1 Announce Type: cross Abstract: Diffusion models have achieved impressive empirical success in generative tasks, and their convergence theory is now relatively well understood. Motivated by privacy and scalability, recent decentralized diffusion architectures replace a single global velocity field with multiple local experts and a routing mechanism, yielding a sampling dynamics with stochastic expert switching that falls outside standard diffusion convergence analyses. In this work, We study a decentralized diffusion framework with stochastic velocity fields and ODE-based sampling. We establish a convergence guarantee in Wasserstein-2 distance, showing that the distribution of the $N$-step discretization converges to the analytical solution at rate $\mathcal{O}(N^{-1/2}+\varepsilon)$ in $W_2$, where $\varepsilon$ captures the neural approximation errors. To our knowledge, this is the first $W_2$ convergence result for decentralized diffusion models with an ODE-based sampling scheme.

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

No One Knows the State of the Art in Geospatial Foundation Models

Geospatial foundation models (GFMs) have been proposed as generalizable backbones for disaster response, land-cover mapping, food-security monitoring, and other high-stakes Earth-observation tasks. Yet the published work about these models does not give reviewers or users enough information to tell which model fits a given task. We argue that nobody knows what the current state of the art is in geospatial foundation models. The methods may be useful, but the GFM literature does not standardize evaluations, training and testing protocols, released weights, or pretraining controls well enough for anyone to compare or rank them. In a 152-paper audit, we find 46 cross-paper disagreements of at least 10 points for the same model, benchmark, and protocol; 94/126 papers with extractable pretraining data use a configuration no other paper uses; and 39% of GFM papers release no model weights. This lack of community standards can be solved. We propose six concrete expectations: named-license weight release, shared core evaluations, copied-versus-rerun baseline annotations, variance reporting, one shared evaluation harness, and data-vs-architecture-vs-algorithm controls. These gaps are a coordination failure, not a fault of any individual lab; the authors of this paper, like many others in the GFM community, have contributed to them. Rather than just critiquing the community, we aim to provide concrete steps toward a shared understanding of how to innovate GFMs.

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

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

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.

19.
arXiv (CS.AI) 2026-06-25

Quantization Inflates Reasoning: Token Inflation as a Hidden Cost of Low-Bit Reasoning Models

arXiv:2606.25519v1 Announce Type: new Abstract: Quantization is widely used to reduce the inference cost of large language models, but its effect on reasoning models is not fully captured by final-answer accuracy or per-token latency. We show that low-bit post-training quantization can introduce a hidden test-time compute cost: quantized reasoning models often generate longer chains of thought even when they still answer correctly. Across mathematical reasoning, code generation, scientific question answering, and agentic tool-use benchmarks, we find that INT4/INT3 quantization can preserve accuracy but increase reasoning-token usage, offsetting the expected per-token speedup. To measure this effect, we introduce the CoT Token Inflation Ratio, which compares reasoning length between quantized and full-precision models averaged across all evaluation benchmarks. We further show that token inflation is accompanied by behavioral changes in the reasoning trace, including more intermediate steps and greater semantic repetition. These changes translate into measurable end-to-end real-world serving penalties. Finally, we evaluate mitigation strategies and find that prompting and decoding-time sampling offer inconsistent accuracy-length trade-offs, while quantization-aware training shows more promise in reducing both accuracy degradation and token inflation. Our results suggest that reasoning-token usage should be reported alongside accuracy when evaluating quantized reasoning models.

20.
arXiv (CS.CV) 2026-06-25

HiFiVe: High-Fidelity Vehicle Generation Leveraging Auto-Regressive 2D Generative Priors

Existing 3D vehicle generation methods often suffer from low geometric fidelity and blurry textures, hindering their downstream applications. While recent works adopt multi-view diffusion models for high-fidelity texture, they are often constrained by fixed viewpoints, limited resolution, and a reliance on costly fine-tuning to achieve cross-view consistency. In this paper, we propose HiFiVe, a training-free framework for high-fidelity vehicle modeling through joint texture and geometry enhancement by imposing 3D geometric constraints to anchor 2D generative priors. Specifically, we propose an auto-regressive texture refinement pipeline that progressively synthesizes high-resolution textures from arbitrary viewpoints. To ensure cross-view consistency, the coarse geometry serves as a synchronization prior, conditioning each generation step on previously synthesized frames via depth-based warping and multi-view texture fusion. Moreover, the inherent symmetry of vehicles is exploited to mitigate error accumulation. Finally, high-frequency surface details are recovered by refining the mesh geometry using normal maps estimated from the enhanced textures. Extensive experiments on synthetic and real-world vehicle datasets demonstrate that our method significantly improves both geometric detail and texture quality compared to state-of-the-art baselines.

21.
arXiv (CS.LG) 2026-06-18

A Human-in-the-Loop Bayesian Optimization Framework for Constraint-Aware Bioprocess Development

arXiv:2606.19230v1 Announce Type: new Abstract: This work presents an extension to Pareto Front Guided Sampling (PFGS), a Human-in-the-Loop (HitL) Bayesian Optimization (BO) framework in which Gaussian process (GP) surrogate-derived quantities are reformulated as objectives of a multi-objective optimization problem, and the resulting Pareto front is exposed to a domain expert for interactive candidate selection rather than returning a single automated recommendation. The framework is extended in two directions: constrained optimization is addressed by incorporating the posterior probability of satisfying output specification limits as an explicit Pareto objective, computed analytically from the GP posterior distribution; robust optimization is addressed by a Monte Carlo sampling strategy that estimates expected lower-confidence performance over a user-defined variability of input perturbations, capturing performance degradation under likely implementation deviations. The resulting multi-dimensional Pareto representation renders trade-offs between predicted performance, model uncertainty, probabilistic constraint satisfaction, and input robustness simultaneously visible through pairwise two-dimensional projections on an interactive dashboard, enabling selection criteria to be iteratively refined as the surrogate model improves and development objectives evolve. The framework is showcased on an eight-dimensional fed-batch Chinese Hamster Ovary (CHO) cell culture simulator demonstrating systematic identification of high-performing, feasibility-compliant, and perturbation-resilient operating conditions, and illustrating how expert-defined requirements provide a principled stopping criterion and support informed allocation of experimental resources.

22.
bioRxiv (Bioinfo) 2026-06-11

DLDN-Bench: A Benchmark Framework for Deep Learning de Novo Peptide Sequencing in Proteomics

De novo peptide sequencing is an essential approach for analyzing mass spectrometry data because it enables the identification of novel peptides without relying on protein sequence databases. Recent advances in deep learning have substantially improved the performance of de novo sequencing methods, but the rapid emergence of new models has led to heterogeneous evaluation practices and limited comparability. To address this, we introduce DLDN-Bench, a benchmark framework including a set of benchmark datasets derived from human muscle biopsy mass spectrometry data retrieved from PRIDE and annotated through consensus across multiple widely used database search engines. Using these datasets, we systematically benchmark recent deep learning-based de novo sequencing tools alongside traditional approaches. Performance is assessed using established metrics, including precision and coverage relative to a pseudo-ground truth defined by cross-engine agreement. To demonstrate the utility of DLDN-Bench, we benchmark four recent deep learning models and make all results publicly available. This benchmark framework provides a standardized basis for comparing state-of-the-art methods and offers an extensible resource for evaluating future tools in de novo peptide sequencing.

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

Critically Engaged Pragmatism: Scientific Norm and Social, Pragmatist Epistemology for AI Science Evaluation Tools

arXiv:2601.09753v2 Announce Type: replace-cross Abstract: AI science evaluation tools aim to assess research credibility. As with traditional metrics such as impact factors, their edicts can be decontextualised and repurposed in problematic ways. To address this, I propose Critically-Engaged Pragmatism as a scientific norm enjoining scientific communities to scrutinise the purposes and purpose-specific reliability of AI science evaluation tools. To foster Critically Engaged Pragmatism, creators of AI science evaluation tools should transparently and fully report design, training, and benchmarking details to facilitate assessments of purpose-specific reliability, liability to different types of error, and bias. What count as best practices for the transparent reporting of AI science evaluation tools should be updated as new forms of error, bias, and gamesmanship are discovered. Under this framework, AI science evaluation tools are not objective arbiters of scientific credibility. Rather, they are the object of critical discursive practices that ultimately ground the credibility of scientific communities.

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

GraphWorld: Long-Horizon Planning with World Models for End-to-End Autonomous Driving

End-to-end autonomous driving has made significant progress by unifying perception, prediction, and planning within a single learning framework, achieving strong performance in short-horizon decision making. However, most existing E2E-AD methods remain confined to short-horizon planning and lack the ability to model long-term temporal dependencies, which severely limits their generalization and security in complex and highly interactive driving scenarios. In this work, we propose GraphWorld, an E2E-AD framework that explicitly enhances long-horizon planning through latent world modeling. We introduce an Ego-Centric Interaction Graph, which adaptively models critical neighboring agents based on spatial proximity, and propagates relational context to planning queries via cross-node cross-attention. We present a World-State-Conditioned Planning that learns ego-centric latent world representations by modeling interactions between an ego vehicle and surrounding agents. This latent world state captures key interaction dynamics and safety-relevant semantics, and serves as a conditioning signal to guide long-horizon, safety-aware trajectory planning. Extensive experiments on Bench2Drive, NAVSIMv1/2, and nuScenes demonstrate that GraphWorld significantly reduces collision rates and improves long-horizon planning performance, validating its effectiveness in complex driving environments.

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

Equivariant Graph Neural Networks Improve Optical Spectra Prediction for Materials Screening

arXiv:2606.19133v1 Announce Type: cross Abstract: Scalable prediction of optical spectra is a critical component of high-throughput materials screening for optoelectronic applications such as solar cells. Existing surrogate models are trained on spectra computed from lower levels of theory or rely on rotation-invariant scalar features, limiting their geometric expressiveness. We explore the use of equivariant graph neural networks for optical spectra prediction, adapting GotenNet to this task and evaluating it on multiple datasets including a recently published collection of 10,533 structures with spectra computed at the level of the random phase approximation (RPA). The proposed model outperforms the current state of the art, with the largest gains in the 0-8 eV range and on predicting the static real permittivity, both of particular relevance for thin-film optics.