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01.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14000

Formalizing Numerical Analysis: An Agent Pipeline and Quality Audit Beyond Kernel Acceptance

作者:

Theodore Meek↗Siyuan Ge↗Di Qiu Xiang↗Simon Chess↗Vasily Ilin↗

arXiv:2606.14000v1 Announce Type: new Abstract: Recent work has demonstrated that coding agents can formalize entire advanced mathematics textbooks in Lean 4, yet existing efforts concentrate on branches of mathematics already well-represented in mathlib and measure success solely through kernel acceptance. We address both limitations by applying a coding agent to formalize Numerical Methods for Ordinary Differential Equations, a textbook in numerical analysis that is largely absent from mathlib, stressing the agent's capacity to develop new theory from scratch. We further introduce a systematic, reproducible three-dimensional framework for evaluating the quality of agent-produced formalizations beyond compilation: semantic correctness, Mathlib reuse, and cross-file reuse via LLM-as-judge methods. Applying this framework to our own formalization and to the released outputs of RepoProver and M2F, we uncover recurring unfaithful formalization patterns, including incomplete multi-part statements, added weakening hypotheses, and parameter restrictions, that kernel acceptance entirely obscures. Our results suggest that compilation-based metrics substantially overstate formalization quality, and we provide a reproducible audit methodology to support more rigorous evaluation of future autoformalization systems.

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02.

arXiv (CS.AI) 2026-06-24 DOI: arXiv:2606.00618

Efficient Test-time Inference for Generative Planning Models with OCL Search

作者:

Robert Gieselmann↗Mihai Samson↗Federico Pecora↗Jeremy L. Wyatt↗

arXiv:2606.00618v2 Announce Type: replace Abstract: Generative models have emerged as a powerful paradigm for AI planning, yet their performance remains constrained by the training data distribution. One approach is to improve generated solutions during inference by scaling test-time compute. A more efficient alternative is to optimize the inference process itself. In this paper, we show that a modified version of a classical Open-Closed List (OCL) search provides just such an efficient inference procedure. Our algorithm synergizes two learned components: a generative model that performs fast rollouts from intermediate states and a heuristic model that prioritizes among candidate reasoning paths. Key contributions include novel exploration control mechanisms and integration of learned models within the OCL framework. Across multiple combinatorial planning domains, our approach outperforms both neurosymbolic search baselines and classical solvers in computational efficiency and solution quality.

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03.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2509.01630

DiffCoord: Differentiable Coordination for Distributed Multi-Agent Trajectory Optimization

作者:

Bingheng Wang↗Yichao Gao↗Tianchen Sun↗Shanker Ajay↗Lin Zhao↗

arXiv:2509.01630v3 Announce Type: replace Abstract: Integrating the Alternating Direction Method of Multipliers (ADMM) with Differential Dynamic Programming (DDP) provides a scalable framework for distributed multi-agent trajectory optimization. In practice, ADMM is typically truncated for computational efficiency, tightly coupling parameters that would otherwise separately govern coordination quality and task performance. In this paper, we propose Differentiable Coordination (DiffCoord), a unified framework that jointly meta-learns these coupled parameters for the truncated ADMM-DDP pipeline. These parameters are generated by agent-wise neural networks for task adaptation, and the same networks are shared among isomorphic agents to enable scalability to varying agent counts. We achieve efficient meta-learning by differentiating the ADMM-DDP pipeline end-to-end. Notably, this yields an auxiliary ADMM-LQR distributed gradient solver that computes and coordinates meta-gradients with respect to these parameters. This solver inherits the computational structure of the pipeline, enabling reuse of key computation results and efficient parallelization over agents and along trajectory horizons. We validate DiffCoord through numerical and physical experiments on a cooperative aerial transport system, where it reconfigures quadrotor formations for safe 6-DoF load manipulation in tight spaces. It adapts robustly to varying team sizes and load dynamics, while reducing per-agent gradient computation time by up to 70% compared with state-of-the-art trajectory-gradient methods.

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04.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2606.18089

From Reasoning Traces to Reusable Modules: Understanding Compositional Generalization in Language Model Reasoning

作者:

Lingjing Kong↗Xin Liu↗Guangyi Chen↗Martin Q. Ma↗Xiangchen Song↗Yuekai Sun↗Mikhail Yurochkin↗Taylor W. Killian↗Ruslan Salakhutdinov↗Kun Zhang↗Eric P. Xing↗Zhengzhong Liu↗…

arXiv:2606.18089v1 Announce Type: new Abstract: Post-training pipelines that combine supervised fine-tuning (SFT) with reinforcement learning (RL) have emerged as the key recipe for transforming large language models (LLMs) into robust reasoners. We argue that this combined success is driven by compositional generalization, which we formalize through a hierarchical latent selection model. In this framework, reasoning traces are generated by a cascade of discrete latent selection variables corresponding to reusable atomic modules, including both skills (local operations) and routing mechanisms (how intermediate information is selected, reused, and composed). Within this model, we theoretically show that SFT and RL play asymmetric, complementary roles: SFT supplies the raw module materials in compositional traces, and RL decomposes those traces to identify the latent atomic modules and enable compositional generalization. We design controlled experiments to validate this theory. Our results demonstrate that RL can extract atomic modules from compound traces supplied by SFT and recombine them to solve new configurations. Moreover, we find that training on compound traces yields stronger generalization than training on isolated atomic modules. Finally, we investigate the relationship between SFT and RL data and identify an effective protocol in which SFT ensures coverage of all atomic modules through compositional traces, while RL focuses on novel compositions outside the SFT support to drive exploration.

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05.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2605.09420

Relational Retrieval: Leveraging Known-Novel Interactions for Generalized Category Discovery

作者:

Yulin Xu↗Chunqi Guo↗Yuanzhen Shuai↗Jianyuan Ni↗

In this study, we tackle Generalized Category Discovery (GCD) via a Relational Retrieval perspective, explicitly coupling labeled and unlabeled data through bidirectional knowledge transfer. While existing methods treat these sources separately, missing valuable interaction opportunities, we propose Relational Pattern Consistency (RPC) that enables mutual enhancement. RPC employs One-vs-All classifiers for soft ID/OOD decomposition, then introduces two mechanisms: (i) for known-class preservation, we transfer semantic behavioral alignment; (ii) for category discovery, we leverage the insight that samples from the same category maintain invariant relationships with known-class prototypes, transforming unreliable pseudo-labeling into well-defined relational pattern matching. This bidirectional design allows labeled data to guide unlabeled learning while discovering novel categories through their collective relational signatures. Extensive experiments demonstrate RPC achieves state-of-the-art performance on both generic and fine-grained benchmarks.

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06.

arXiv (quant-ph) 2026-06-24 DOI: arXiv:2606.24681

A Universal All-Fiber Quantum Buffer for the Telecom Band

作者:

Domenico Compagnini↗Noemi Tagliavacche↗Sara Congia↗Andrea Bernardi↗Marco Liscidini↗Matteo Galli↗Daniele Bajoni↗

arXiv:2606.24681v1 Announce Type: new Abstract: The realization of a scalable quantum internet relies on the ability to temporally align asynchronous photonic signals through on-demand buffering. While matter-based quantum memories achieve long storage times, their extremely narrow bandwidths and cryogenic requirements pose significant barriers to integration with existing telecommunications infrastructure. Conversely, current all-optical memories operate at room temperature but are hampered by high input/output losses and a lack of universality across different photonic degrees of freedom. Here, we demonstrate a universal, fully fiber-integrated quantum buffer operating over the full telecom C-band that overcomes these fundamental trade-offs. By implementing an actively switched dual-Sagnac cavity driven by cross-phase modulation, we achieve an ultra-low input/output loss of 0.46 dB and a storage time exceeding 18 $\mu$s. The device exhibits an operational bandwidth exceeding 12.5 THz ($\sim$100 nm), covering the full telecom C-band. We show the simultaneous buffering of over 200 temporal modes with the ability to address them either collectively or one by one. We demonstrate high-fidelity storage for all three degrees of freedom compatible with optical fiber propagation, namely time-bin, frequency-bin, and polarization qubits, along with faithful preservation of entanglement, confirming the platform's true universality. These results provide a robust, room-temperature solution for the high-rate synchronization of multidimensional quantum states, clearing a major hurdle for the deployment of global photonic quantum networks.

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07.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2603.01131

MedCollab: IBIS-Guided Multi-Agent Collaboration with Hierarchical Disease Relation Chains for Clinical Diagnosis

作者:

Yuqi Zhan↗Xinyue Wu↗Tianyu Lin↗Yutong Bao↗Xiaoyu Wang↗Weihao Cheng↗Huangwei Chen↗Feiwei Qin↗Zhu Zhu↗

arXiv:2603.01131v3 Announce Type: replace-cross Abstract: Clinical diagnosis is a gradual process of evidence integration, in which physicians move from symptoms and medical history to examinations, competing hypotheses, disease relations, and treatment decisions. Large language models have advanced medical text understanding and generation. Yet their clinical use remains limited by weak evidence grounding, opaque reasoning, and inconsistent links among differential diagnosis, final diagnosis, diagnostic basis, and treatment planning. We introduce MedCollab, a multi-agent framework for full-cycle clinical diagnosis and report generation. MedCollab coordinates specialist and examination agents according to patient records. It structures agent deliberation with an Issue-Based Information System (IBIS) protocol, so that each diagnostic position is supported by patient-specific evidence and medical knowledge. It also builds Hierarchical Disease Relation Chains (HDRC) to connect accepted hypotheses through progression, complication, and comorbidity relations. During multi-round deliberation, a verifier-guided consensus module evaluates evidence support, medical plausibility, and logical conflicts. It then adjusts agent contributions and filters unsupported reasoning. Experiments on ClinicalBench and MIMIC-IV show that MedCollab outperforms leading LLMs and medical multi-agent baselines in diagnostic accuracy, evidence consistency, and clinical reasoning quality. These results indicate that structured and auditable collaboration can produce more faithful and clinically coherent diagnostic reports.

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08.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2603.03485

Phys4D: Fine-Grained Physics-Consistent 4D Modeling from Video Diffusion

作者:

Haoran Lu↗Shang Wu↗Songling Liu↗Jianshu Zhang↗Maojiang Su↗Guo Ye↗Chenwei Xu↗Lie Lu↗Pranav Maneriker↗Fan Du↗Manling Li↗Zhaoran Wang↗…

Recent video diffusion models have achieved impressive capabilities as large-scale generative world models. However, these models often struggle with fine-grained physical consistency, exhibiting physically implausible dynamics over time. In this work, we present Phys4D, a pipeline for learning physics-consistent 4D world representations from video diffusion models. Phys4D adopts a three-stage training paradigm that progressively lifts appearance-driven video diffusion models into physics-consistent 4D world representations. We first bootstrap robust geometry and motion representations through large-scale pseudo-supervised pretraining, establishing a foundation for 4D scene modeling. We then perform physics-grounded supervised fine-tuning using simulation-generated data, enforcing temporally consistent 4D dynamics. Finally, we apply simulation-grounded reinforcement learning to correct residual physical violations that are difficult to capture through explicit supervision. To evaluate fine-grained physical consistency beyond appearance-based metrics, we introduce a set of 4D world consistency evaluation that probe geometric coherence, motion stability, and long-horizon physical plausibility. Experimental results demonstrate that Phys4D substantially improves fine-grained spatiotemporal and physical consistency compared to appearance-driven baselines, while maintaining strong generative performance. Our project page is available at https://sensational-brioche-7657e7.netlify.app/

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09.

arXiv (CS.CV) 2026-06-25 DOI: arXiv:2606.25770

Re-mixing Embeddings for Patient Augmentation in Data Scarce Multiple Instance Learning

作者:

Muhammed Furkan Dasdelen↗Fatih Ozlugedik↗Anastasia Litinetskaya↗Nassir Navab↗Carsten Marr↗Ario Sadafi↗

Data scarcity is a major bottleneck in medical Multiple Instance Learning (MIL), especially for rare diseases or expensive modalities. We introduce a statistically grounded patient augmentation approach that generates realistic patients directly in embedding space. Using Gaussian Mixture Models as a probabilistic clustering approach on pooled instance embeddings from all patients, our method learns disease-specific "recipes"-statistical distributions of instances across unsupervised clusters. New patients are then generated by sampling embeddings from clusters based on learned recipes. Unlike existing methods that require examples from all categories, our method can generate patients offline by re-mixing pooled embeddings. Generated patients are further selected based on uncertainty quantification to improve MIL performance. We evaluate our method across three clinically relevant scarcity scenarios: (i) cross-dataset transfer, where an entirely missing "healthy" class is generated using statistics from an external cohort; (ii) low-data regimes, where class sizes are extremely limited; and (iii) small-cohort non-image tasks, including single-cell RNA-seq and flow cytometry. Across all experiments, our method improves performance over baseline, often outperforming other bag-mixing strategies. Notably, in the missing-class scenario, a performance comparable to full-dataset training is achieved, demonstrating its potential for rare disease diagnostic and privacy-preserving patient augmentation. The code is available at https://github.com/marrlab/RECIPE

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10.

arXiv (CS.AI) 2026-06-25 DOI: arXiv:2602.08629

CauScale: Neural Causal Discovery at Scale

作者:

Bo Peng↗Sirui Chen↗Jiaguo Tian↗Yu Qiao↗Chaochao Lu↗

arXiv:2602.08629v2 Announce Type: replace-cross Abstract: Causal discovery is essential for advancing data-driven fields such as scientific AI and data analysis, yet existing approaches face significant time- and space-efficiency bottlenecks when scaling to large graphs. To address this challenge, we present CauScale, a neural architecture designed for efficient causal discovery that scales inference to graphs with up to 1000 nodes. CauScale improves time efficiency via a reduction unit that compresses data embeddings and improves space efficiency by adopting tied attention weights to avoid maintaining axis-specific attention maps. To keep high causal discovery accuracy, CauScale adopts a two-stream design: a data stream extracts relational evidence from high-dimensional observations, while a graph stream integrates statistical graph priors and preserves key structural signals. CauScale successfully scales to 500-node graphs during training, where prior work fails due to space limitations. Across testing data with varying graph scales and causal mechanisms, CauScale achieves 99.6% mAP on in-distribution data and 84.4% on out-of-distribution data, while delivering 4-13,000 times inference speedups over prior methods. Our project page is at https://github.com/OpenCausaLab/CauScale.

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11.

arXiv (CS.CV) 2026-06-18 DOI: arXiv:2606.09946

SPARX: Secure and Privacy-Aware Approximate CNN Acceleration with Edge RISC-V SoC

作者:

Sonu Kumar↗Akash Sankhe↗Mukul Lokhande↗Santosh Kumar Vishvakarma↗

Edge-AI systems increasingly require real-time CNN inference under strict energy, performance, security, and privacy constraints. Approximate computing improves hardware efficiency by exploiting the error resilience of neural network workloads; however, most approximate CNN accelerators do not jointly consider secure, privacy-aware edge deployment. This paper presents SPARX, a Secure and Privacy-Aware Approximate CNN Acceleration framework integrated within a heterogeneous RV32IMC RISC-V System-on-Chip (SoC). SPARX combines a custom RISC-V instruction extension, an approximate logarithmic CNN acceleration unit, a lightweight differential-noise-based privacy engine, and a challenge-response authentication mechanism. To guide arithmetic selection, an approximation-aware decision framework is introduced that uses the Approximation Severity Index (ASI), Approximation Efficiency (AE), Quality of Approximation (QoA), Approximation Figure-of-Merit (AFOM), and Hardware Acceleration Efficiency (HAE). Evaluation across 11 state-of-the-art approximate MAC architectures identifies the Iterative Logarithmic Multiplier (ILM) as the most suitable design, achieving 51.7% area reduction, 81.5% power reduction, and 2.13x throughput improvement compared with an accurate radix-4 Booth MAC, while only reducing ResNet-20/CIFAR-10 accuracy by 2.82 percentage points. FPGA implementation on a Xilinx VC707 platform achieves 58.4 GOPS/W energy efficiency at 250 MHz, while 28-nm CMOS physical implementation validates ASIC feasibility

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12.

arXiv (quant-ph) 2026-06-24 DOI: arXiv:2606.24643

The Quantum Split-Step Fourier Algorithm for Nonlinear Optical Waveguides

作者:

Fabio Biancalana↗

arXiv:2606.24643v1 Announce Type: cross Abstract: We introduce the Quantum Split-Step Fourier (QSSF) algorithm for nonlinear optical waveguides, a numerical framework that combines split-step propagation of the nonlinear Schrödinger equation with a commutator-preserving Bogoliubov evolution of Gaussian quantum fluctuations. The method propagates the classical mean field together with the Bogoliubov matrices $U$ and $V$, from which reduced second moments, covariance matrices, symplectic eigenvalues, and entropic measures are constructed for arbitrary spectral windows. Applied to soliton-driven resonant radiation, QSSF shows that the selected radiation band acquires a steadily increasing von Neumann entropy and a corresponding loss of purity, quantifying its entanglement with the rest of the spectrum in the lossless Gaussian setting. The analysis also reveals a surprisingly pronounced low-dimensional structure: although the radiation occupies many Fourier bins, its reduced Gaussian state is dominated by only a few Williamson modes. QSSF therefore provides a practical information-theoretic diagnostic for quantum correlations in nonlinear frequency conversion, supercontinuum generation, and multimode squeezed-light formation in ultrafast waveguide platforms.

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13.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2603.07079

Entropy-Aware On-Policy Distillation of Language Models

作者:

Woogyeol Jin↗Taywon Min↗Yongjin Yang↗Dennis Wei↗Yi Zhou↗Swanand Ravindra Kadhe↗Nathalie Baracaldo↗Kimin Lee↗

On-policy distillation is a promising approach for transferring knowledge between language models, where a student learns from dense token-level signals along its own trajectories. This framework typically uses reverse KL divergence, encouraging the student to match the teacher's high-confidence predictions. However, we show that the mode-seeking property of reverse KL reduces generation diversity and yields unstable learning signals when the teacher distribution has high entropy. To address this, we introduce Entropy-Aware On-Policy Distillation. Our key idea is augmenting the standard reverse KL objective with forward KL when teacher entropy is high, capturing the full range of plausible outputs while retaining precise imitation elsewhere. It balances mode-seeking precision with mode-covering robustness without sacrificing on-policy training efficiency. Experiments show that our method maintains generation diversity (sustained token-level entropy) and improves student-teacher alignment (lower forward KL on high-entropy tokens). Across six math reasoning benchmarks, this yields Pass@8 accuracy gains of +1.37 for Qwen3-0.6B-Base, +2.39 for Qwen3-1.7B-Base, and +5.05 for Qwen3-4B-Base compared to baseline on-policy distillation methods. These results demonstrate that accounting for teacher uncertainty is essential for maintaining diversity and achieving effective knowledge transfer.

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14.

arXiv (quant-ph) 2026-06-19 DOI: arXiv:2606.20187

Truncated Wigner dynamics of biclique quantum spin glasses

作者:

Dries Sels↗

arXiv:2606.20187v1 Announce Type: cross Abstract: Quantum spin glasses are often considered testbeds for studying quantum optimization algorithms and as such have been the subject of various quantum advantage claims. Here we investigate the near adiabatic dynamics of biclique quantum spin glasses within the (discrete) truncated Wigner approximation (TWA). Benchmarks on small systems show that TWA recovers sample-to-sample fluctuations of the Edwards-Anderson order parameter, over a wide range of annealing times, with increasing fidelity when the system size increases. We extract critical exponents from the Binder cumulant in line with theoretical expectations, reproducing recent quantum experiments. The computational cost of the method is minimal and it can easily be applied to tens of thousands of qubits.

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15.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2508.18625

Achieving High-Quality Portfolio Optimization with the Variational Quantum Eigensolver

作者:

Zhonggang Lv↗Zhenyuan Ma↗Binglei Wang↗Anbang Wang↗

arXiv:2508.18625v2 Announce Type: replace Abstract: Portfolio optimization lies at the core of quantitative finance and aims to determine how assets should be allocated to balance expected returns against risk. It can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) problem, which is NP-hard. Quantum computing offers the potential to solve such problems more efficiently than classical methods. In this work, we employ the Variational Quantum Eigensolver (VQE) to address the portfolio optimization problem. To increase the likelihood of converging to high-quality solutions, we propose using the Weighted Conditional Value-at-Risk (WCVaR) as the cost function and the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) as the optimizer. Our experiments are conducted using both classical simulations and quantum hardware on the Wuyue QuantumAI platform. Together, these results demonstrate that the combination of WCVaR and CMA-ES improves the performance of VQE for portfolio optimization and provides a practical route for applications on NISQ devices.

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16.

arXiv (CS.CV) 2026-06-19 DOI: arXiv:2606.20161

ARTEMIS: Agent-guided Reliability-aware Temporal Mask Evolution for Imperfectly Supervised Video Polyp Segmentation

作者:

Tong Wang↗Siwen Wang↗Yaolei Qi↗Jinxing Zhou↗Yuting He↗Guanyu Yang↗Yutong Xie↗

Imperfectly supervised video polyp segmentation (VPS) aims to learn dense, temporally consistent masks from inexpensive supervision, including weak annotations (points, scribbles) and semi-supervision with few densely labeled frames. This setting is clinically valuable but challenging due to weak contrast, ambiguous boundaries, motion blur, and specular highlights, compounded by sparse pixel-level guidance. While SAM2 can generate dense masks from sparse inputs, direct pseudo-labeling often yields geometry-degraded masks with boundary leakage, underutilizes temporal consistency, and ignores reliability. To address these issues, we propose ARTEMIS, a unified framework for imperfectly supervised VPS driven by agent-guided reliability-aware temporal mask evolution. ARTEMIS initializes coarse masks from available supervision: SAM2 converts points/scribbles, while dense labels serve as reliable anchors. A debate-and-judge vision-language agent selects reliable temporal anchors under weak supervision, which are propagated bidirectionally with SAM2 to refine unreliable or unlabeled frames. Finally, ARTEMIS trains the segmenter using temporal reliability-aware robust learning, incorporating reliability-guided reference selection, a Reference Prototype Transport Module, and reliability-aware robust loss. These components assess mask reliability, evolve anchors over time, transport target identity across frames, and down-weight noisy supervision instead of discarding difficult samples. Experiments on SUN-SEG and CVC-ClinicDB-612 under scribble, point, and limited-label settings demonstrate that ARTEMIS achieves state-of-the-art performance. Code will be released at https://github.com/wangtong627/ARTEMIS.

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17.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.13894

Gefen: Optimized Stochastic Optimizer

作者:

Nadav Benedek↗Tomer Koren↗Ohad Fried↗

AdamW is a default optimizer for modern deep learning, but its first and second moment states add roughly two parameter-sized buffers to training memory. We propose Gefen, a memory-efficient optimizer that automatically shares second-moment estimates across parameter blocks and quantizes the first moment using a learned codebook, thereby reducing AdamW's memory footprint by ~8x while maintaining the same performance, corresponding to a reduction of 6.5 GiB per billion parameters. The method is motivated by a theoretical result showing that large mixed Hessian entries constrain the ratio of squared gradients toward one, suggesting that Hessian-aligned parameters are natural candidates for sharing second-moment statistics. Since computing Hessians is impractical at scale, Gefen infers block structure from the initial squared gradients, requiring no architecture-specific metadata or hyperparameters beyond AdamW defaults. Gefen learns an exact histogram-based dynamic-programming quantization codebook and reuses the same blocks for first-moment scaling. Across diverse experiments, Gefen achieves the lowest peak optimizer memory among the compared AdamW-like methods while maintaining AdamW-level performance. In FSDP and DDP training, the reduced memory footprint enables larger microbatches and improves throughput significantly over AdamW, providing a practical drop-in replacement with lower memory usage that can increase throughput and enable training larger models or using larger batch sizes. We provide the complete Python implementation, including fused CUDA kernels at https://github.com/ndvbd/Gefen

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18.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.12991

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

作者:

Yifan Zhao↗Lang Qin↗Jintai Chen↗

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.

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19.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2606.18286

CODEBLOCK: Learning to Supervise Code at the Right Granularity

作者:

Zhijie Deng↗Ling Li↗Jinlong Pang↗Kaiqin Hu↗Qi Xuan↗Zhaowei Zhu↗Jiaheng Wei↗

arXiv:2606.18286v1 Announce Type: new Abstract: Supervised fine-tuning of code LLMs typically applies uniform cross-entropy loss to all response tokens, implicitly assuming that every token provides equally useful learning signal. Recent token-level selection methods challenge this assumption in natural-language SFT by supervising only high-value tokens. However, directly transferring token-level masking to code can break syntactically and semantically coherent program units, because code depends on structural completeness and definition-use relations. We therefore propose CodeBlock, a structure-aware sparse supervision framework that selects structure-complete code evidence rather than isolated tokens. CodeBlock first selects high-quality instruction-response pairs, then partitions code responses into syntactically coherent coding items, estimates their utility by aggregating generalized cross-entropy over core logic tokens, and reranks them with data-flow reach and bridge signals to prioritize blocks that propagate or connect important program dependencies. During training, the full response remains available as context, while loss is applied only to selected code items and informative natural-language tokens. Experiments on six code-generation benchmarks show that CodeBlock achieves stronger average pass@1 than full-token SFT and competitive selection baselines, while using only 1.9% of supervised response tokens.

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20.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15983

Learning ground state observables from quantum computing experiments

作者:

Ben Jaderberg↗Freya Shah↗Minjun Jeon↗M. Emre Sahin↗Christa Zoufal↗Kunal Sharma↗

arXiv:2606.15983v1 Announce Type: new Abstract: Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data. Previous experimental demonstrations in this paradigm, however, have largely been limited to small systems or highly structured states, due to the difficulty of preparing many-body ground states on quantum processors. In this work, we demonstrate learning from experimental quantum data generated from approximate ground states of the two-dimensional Heisenberg XXZ model with system sizes up to 115 qubits. We construct a dataset of single-site expectation values, two-point correlations, and 12-body loop correlations across the antiferromagnetic phase. We then train neural networks on this data and show that they can accurately predict spatially resolved observables for previously unseen Hamiltonian parameters, both within the training distribution and in an out-of-distribution regime approaching the phase boundary. Our results demonstrate the practical realization of learning from quantum data for an interacting two-dimensional many-body system at scale, motivating a path toward regimes where quantum processors could provide training data beyond the reach of classical approximation methods.

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21.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2606.14624

Spin disorder competing with positional symmetry breaking governs the metal-insulator behavior in oxide paramagnets

作者:

Jia-Xin Xiong↗Xiuwen Zhang↗Alex Zunger↗

arXiv:2606.14624v1 Announce Type: cross Abstract: Numerous transition-metal oxides have low-temperature antiferromagnetic (AFM) states and high-temperature paramagnetic (PM) phases, where the AFM state is usually insulating while the PM phase can be either insulating or metallic. Without involving strong correlation, we use symmetry-broken density-functional theory (DFT) to obtain the PM phases of insulating NaFeO3 vs the recently discovered metallic NaOsO3. We develop the understanding of insulating and metallic behaviors in paramagnetic oxides by analyzing the interactions between magnetic and positional symmetry breaking: The insulating gap is governed by the competition between the spin disorder that induces a distribution of different magnitudes of local magnetic moments and the polymorphous distribution of off-center atomic displacements. NaFeO3, on the other hand, has large positional displacement with small spin-disorder-induced moments distribution, leading to insulating PM phase, whereas NaOsO3 has a pronounced spin-disorder-induced moments distribution that forces the PM phase to become metallic. Our work identifies this symmetry-breaking competition as a general framework to bridge seemingly disparate metal-insulator behaviors in transition-metal oxides paramagnets without invoking strong correlation.

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22.

arXiv (CS.CV) 2026-06-19 DOI: arXiv:2606.19958

SketchKeyAnime: Reference-anchored Sparse Key-Sketch Animation Synthesis

作者:

Meixi Li↗Xianlin Zhang↗Yue Zhang↗Xueming Li↗

Traditional animation production relies heavily on manual drawing and iterative refinement, particularly for key-pose design, in-betweening, and character coloring. While existing animation and video generation methods have made notable progress, they typically depend on RGB boundary frames, dense frame-wise conditions, or complete sketch sequences, limiting their applicability under low-cost input conditions. We present SketchKeyAnime, a video diffusion framework for generating structurally controllable, appearance-consistent, and temporally coherent animations from sparse key-sketch inputs. Given a single reference RGB image and a few temporally indexed key sketches, SketchKeyAnime introduces a dual-branch conditioning mechanism to encode local geometric constraints alongside semantic-temporal context. It leverages Sketch Cross Attention to fuse reference image and sketch conditions with learnable gating, and incorporates an Adaptive Weighted Loss to strengthen supervision on key-sketch frames and line-art regions. Experimental results on the Aesthetic subset of Sakuga-42M show that our approach consistently outperforms representative animation interpolation and sketch-guided generation baselines. Compared to the best-performing baseline, SketchKeyAnime reduces EDMD by 31.9\% and FVD by 9.5\%, demonstrating superior sketch fidelity and temporal coherence, while achieving the best overall performance across most quantitative metrics. These results validate the proposed framework and highlight its potential for low-cost, highly controllable animation creation.

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23.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.19868

A Systematic Evaluation of Black-Box Uncertainty Estimation Methods for Large Language Models

作者:

Jiayi Wang↗Xu-Yao Zhang↗

arXiv:2606.19868v1 Announce Type: new Abstract: Although large language models (LLMs) have shown strong capabilities across a wide range of tasks, their outputs often remain unreliable and may contain hallucinations, making uncertainty estimation (UE) essential for building trustworthy LLMs. In practice, many mainstream LLMs are only accessible through restricted APIs, where internal signals such as logits and hidden states are unavailable, making black-box UE especially important. However, existing work on black-box UE for LLMs remains fragmented in methodology and lacks a unified empirical comparison. To address this gap, we present a systematic review of black-box UE methods and organize them into five categories: verbalization-based, sampling-based, explanation-based, multi-agent, and hybrid methods. We further build a unified evaluation framework and benchmark 24 representative methods across 4 models and 4 dataset settings. Our results show that no single method consistently dominates across all settings. Nevertheless, methods that reason over and compare candidates in the answer space are generally effective, and hybrid methods that combine multiple uncertainty signals perform well under most conditions. By releasing the benchmark data and a unified evaluation framework, we aim to facilitate reproducible comparisons and support future research, while our empirical findings provide practical guidance for developing future black-box UE methods for LLMs.

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24.

arXiv (CS.AI) 2026-06-24 DOI: arXiv:2606.24145

T2D-Bench: Evidence-Gated Evaluation of LLM Outputs for Type 2 Diabetes Using a Multi-Layer Clinical-Lifestyle Knowledge Graph

作者:

Saba A. Farahani↗Hung Cao↗Ramesh Jain↗Amir M. Rahmani↗

arXiv:2606.24145v1 Announce Type: new Abstract: Large language models (LLMs) can produce clinically fluent recommendations for type 2 diabetes while failing to satisfy guideline constraints or explicitly justify lifestyle-related glycemic claims. We present T2D-Bench, a reproducible benchmark and evidence-gated evaluation framework for testing whether LLM outputs satisfy explicit, graph-checkable evidence requirements. T2D-Bench is built on a multi-layer clinical-lifestyle knowledge graph that combines a biomedical spine (UMLS, DrugBank, SIDER), computable ADA Standards of Care rules, and lifestyle knowledge connected through a mechanistic bridge to glycemic laboratory effects. Across 100 structured vignettes spanning diagnosis, medication safety, and adversarial lifestyle conflicts, baseline outputs failed benchmark-defined evidence-path checks in 35% of cases for GPT-4o-mini and 33% for GPT-4o. The evidence gate detects unsupported omissions and uses constrained revision to bring outputs into verifier-level compliance with benchmark-defined evidence requirements. These results show that computable evidence constraints can make unsupported clinical omissions explicit, measurable, and correctable in diabetes-focused LLM outputs.

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25.

arXiv (CS.LG) 2026-06-17 DOI: arXiv:2604.17616

Conditional Attribution for Root Cause Analysis in Time-Series Anomaly Detection

作者:

Shashank Mishra↗Karan Patil↗Cedric Schockaert↗Didier Stricker↗Jason Rambach↗

arXiv:2604.17616v3 Announce Type: replace Abstract: Root cause analysis (RCA) for time-series anomaly detection is critical for the reliable operation of complex real-world systems. Existing explanation methods often rely on unrealistic feature perturbations and ignore temporal and cross-feature dependencies, leading to unreliable attributions. We propose a conditional attribution framework that explains anomalies relative to contextually similar normal system states. Instead of using marginal or randomly sampled baselines, our method retrieves representative normal instances conditioned on the anomalous observation, enabling dependency-preserving and operationally meaningful explanations. To support high-dimensional time-series data, contextual retrieval is performed in learned low-dimensional representations using both variational autoencoder latent spaces and UMAP manifold embeddings. By grounding the retrieval process in the system's learned manifold, this strategy avoids out-of-distribution artifacts and ensures attribution fidelity while maintaining computational efficiency. We further introduce confidence-aware and temporal evaluation metrics for assessing explanation reliability and responsiveness. Experiments on the SWaT and MSDS benchmarks demonstrate that the proposed approach consistently improves root-cause identification accuracy, temporal localization, and robustness across multiple anomaly detection models. These results highlight the practical utility of conditional attribution for explainable anomaly diagnosis in complex time-series systems. Code and models are available at: https://github.com/dfki-av/Conditional-Attribution-for-Root-Cause-Analysis-in-Time-Series-Anomaly-Detection.

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