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02.
arXiv (CS.AI) 2026-06-11

A Physics-Inspired Optimizer: Velocity Regularized Adam

Authors:
Pranav Vaidhyanathan↗Lucas Schorling↗Natalia Ares↗Maike Osborne↗

arXiv:2505.13196v3 Announce Type: replace-cross Abstract: We introduce Velocity-Regularized Adam (VRAdam), a physics-inspired optimizer for training deep neural networks that draws on ideas from quartic terms for kinetic energy with its stabilizing effects on various system dynamics. Previous algorithms, including the ubiquitous Adam, operate at the so-called adaptive edge of stability regime during training, leading to rapid oscillations and slowed convergence of loss. However, VRAdam adds a higher order penalty on the learning rate based on the velocity such that the algorithm automatically slows down whenever weight updates become large. In practice, we observe that the effective dynamic learning rate shrinks in high-velocity regimes, and damping oscillations. By combining this velocity-based regularizer for global damping with per-parameter scaling of Adam, we create a powerful hybrid optimizer. For this optimizer, we provide rigorous theoretical analysis of operation at the edge of stability from a physical and control perspective for the momentum. Furthermore, we derive convergence bounds with the rate $\mathcal{O}(\ln(N)/\sqrt{N})$ for a stochastic non convex objective under mild assumptions. We demonstrate that VRAdam exceeds the performance against standard optimizers including AdamW. We benchmark various tasks such as image classification, language modeling, and generative modeling using diverse architectures and training methodologies including Convolutional Neural Networks (CNNs), Transformers, and GFlowNets.

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03.
arXiv (CS.CV) 2026-06-16

MMLongEmbed: Benchmarking Multimodal Embedding Models in Long-Context Scenarios

Authors:
Haitian Wang↗Ruoxi Sun↗Quantong Qiu↗Juntao Li↗Junhui Li↗Hua Chen↗Jinxiong Chang↗Min Zhang↗

Recent advancements have significantly expanded the theoretical context windows of Multimodal Embedding Models (MEMs). However, larger context windows do not necessarily translate into effective comprehension and representation of long-context multimodal inputs, which remains a critical bottleneck for real-world deployment. To address the lack of systematic evaluation in this setting, we introduce MMLongEmbed, the first comprehensive benchmark for evaluating MEMs in long-context scenarios. MMLongEmbed comprises four retrieval tasks spanning multiple context-length ranges, covering text, document, and video modalities. Through extensive evaluation of state-of-the-art models, we find that current architectures rely heavily on superficial feature matching and struggle to capture deep semantic and structural dependencies. We further observe that performance degradation varies systematically with context length and key information placement. Moreover, models exhibit substantially different robustness to redundant contextual information across modalities. For reproducibility, the benchmark and code are publicly available.

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04.
arXiv (CS.CL) 2026-06-16

Pretraining A Large Language Model using Distributed GPUs: A Memory-Efficient Decentralized Paradigm

Authors:
Jinrui Zhang↗Chaodong Xiao↗Aoqi Wu↗Xindong Zhang↗Lei Zhang↗

Pretraining large language models (LLMs) typically requires centralized clusters with thousands of high-memory GPUs (e.g., H100/A100). Recent decentralized training methods reduce communication overhead by employing federated optimization; however, they still need to train the entire model on each node, remaining constrained by GPU memory limitations. In this work, we propose SParse Expert Synchronization (SPES), a memory-efficient decentralized framework for pretraining mixture-of-experts (MoE) LLMs. SPES trains only a subset of experts per node, substantially lowering the memory footprint. Each node updates its local experts and periodically synchronizes with other nodes, eliminating full-parameter transmission while ensuring efficient knowledge sharing. To mitigate limited per-expert data utilization under sparse expert updates, we introduce an expert-merging warm-up strategy, where experts exchange knowledge early in training, to rapidly establish foundational capabilities. With SPES, we train a 2B-parameter MoE LLM using 16 standalone 48GB GPUs over internet connections, which achieves competitive performance with centrally trained LLMs under similar computational budgets. We further demonstrate scalability by training a 7B model from scratch and a 9B model upcycled from a dense checkpoint, both of which match prior centralized baselines. Our code is available at https://github.com/zjr2000/SPES.

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05.
arXiv (CS.AI) 2026-06-19

Multi-Head Attention-Based Feature Extractor Integration with Soft Actor-Critic for Porosity Prediction and Process Parameter Optimization in Additive Manufacturing

Authors:
Kianoush Aqabakee↗Leonardo Stella↗

arXiv:2606.20087v1 Announce Type: new Abstract: Additive manufacturing process optimization requires precise parameter control to minimize defects such as porosity. Traditional reinforcement learning (RL) approaches using discrete action spaces suffer from slow convergence and susceptibility to local optima, limiting their effectiveness for high-precision manufacturing tasks. This study addresses these limitations by employing a continuous action space combined with a novel architecture that integrates a multi-head attention mechanism with the Soft Actor-Critic (SAC) algorithm. The attention-based feature extractor enhances the agent's ability to capture subtle variations in low-dimensional input features, enabling more effective exploration-exploitation balance for navigating value spaces with local minima. We validate our approach on porosity prediction and process parameter optimization in laser powder bed fusion, demonstrating faster convergence and higher final reward values compared to standard RL methods including DQN, PPO, TD3, and vanilla SAC. The proposed methodology achieves a convergence value of 322.79 within 14 episodes, outperforming existing approaches while maintaining stability throughout training.

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

Beyond Rebalancing: Benchmarking Binary Classifiers Under Class Imbalance Without Rebalancing Techniques

Authors:
Ali Nawaz↗Amir Ahmad↗Shehroz S. Khan↗

arXiv:2509.07605v2 Announce Type: replace-cross Abstract: Class imbalance poses a significant challenge to supervised classification, particularly in critical domains like medical diagnostics and anomaly detection where minority class instances are rare. While numerous studies have explored rebalancing techniques to address this issue, less attention has been given to evaluating the performance of binary classifiers under imbalance when no such techniques are applied. Therefore, the goal of this study is to assess the performance of binary classifiers "as-is", without performing any explicit rebalancing. Specifically, we systematically evaluate the robustness of a diverse set of binary classifiers across both real-world and synthetic datasets, under progressively reduced minority class sizes, using one-shot and few-shot scenarios as baselines. Our approach also explores varying data complexities through synthetic decision boundary generation to simulate real-world conditions. In addition to standard classifiers, we include experiments using undersampling, oversampling strategies, and one-class classification (OCC) methods to examine their behavior under severe imbalance. The results confirm that classification becomes more difficult as data complexity increases and the minority class size decreases. While traditional classifiers deteriorate under extreme imbalance, advanced models like TabPFN and boosting-based ensembles retain relatively higher performance and better generalization compared to traditional classifiers. Visual interpretability and evaluation metrics further validate these findings. Our work offers valuable guidance on model selection for imbalanced learning, providing insights into classifier robustness without dependence on explicit rebalancing techniques.

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07.
arXiv (CS.AI) 2026-06-16

LiteOdyssey: A Lightweight Reasoning AI Agent for Interpretable Rare-Disease Diagnosis

Authors:
Minh-Ha Nguyen↗Erica Gray↗Chih-Ting Yang↗Rizwan Hamid↗Lingyao Li↗Siyuan Ma↗Thomas A. Cassini↗Cathy Shyr↗

arXiv:2606.16149v1 Announce Type: new Abstract: Most medical AI systems improve by scaling additional machinery: more fine-tuning data, more agents, and/or larger retrieval databases. In rare-disease diagnosis, however, such scaling can produce systems that are difficult to deploy, audit, and maintain. We asked whether state-of-the-art diagnostic performance could instead be achieved by extending the reasoning chain of a single AI agent: guiding it with a diagnostic policy, developed through human-AI collaboration and augmenting with freely available biomedical tools. We introduce LiteOdyssey, a lightweight rare-disease diagnostic framework that guides reasoning language model through a clinical genetics workflow. This framework was developed through Policy Iteration with Human Feedback (PIHF) and uses dynamic access to public biomedical tools. On two challenging benchmarks that provide only patient clinical features, LiteOdyssey achieved state-of-the-art performance, with an overall disease Recall@1 of 59.3% over the combined 1,243 cases of LIRICAL (n = 370) and the PhenoPacket Store (n = 873). Both benchmarks have a high proportion of ultra-rare disease (a prevalence below 1 in 1,000,000, with ultra-rare shares of approximately 45% and 52.8%, respectively). On the more difficult PhenoPacket subset, where causal diseases were not mapped to Orphanet in our rarity-mapping pipeline, LiteOdyssey achieved 60.7% Recall@1, compared with 10.7% for the same baseline model (GPT-5.4) without tools. This performance was achieved without fine-tuning, multi-agent ensembles, or a large case-retrieval database. Gains were also observed in the following: on cases never seen during development, on a private cohort of real-world rare disease patients, and on a smaller open-weights model. LiteOdyssey suggests a path toward rare-disease AI systems that are accurate, easier to deploy, and more transparent for physician review.

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08.
arXiv (CS.CV) 2026-06-24

Solving Semi-Supervised Few-Shot Learning from an Auto-Annotation Perspective

Authors:
Tian Liu↗Anwesha Basu↗James Caverlee↗Shu Kong↗

Semi-supervised few-shot learning (SSFSL) resembles real-world applications such as auto-annotation, as it aims to learn a model from a few labeled and abundant unlabeled task-specific examples to annotate the unlabeled ones. Despite the availability of powerful open-source Vision-Language Models (VLMs) and open-world data, existing SSFSL literature largely neglects these resources. In contrast, the related area few-shot learning (FSL) has already exploited them to boost performance. Arguably, to solve real-world auto-annotation, SSFSL should leverage such open resources. To bridge this gap, we explore established SSL methods to finetune a VLM. Unexpectedly, they significantly underperform FSL baselines that do not use unlabeled data. Our in-depth analysis reveals the root cause of failure: VLMs produce flat distributions of softmax probabilities, resulting in zero utilization of unlabeled data and weak supervision signals. To address this challenge, we propose an embarrassingly simple solution that uses temperatures to sharpen the softmax output, which not only increases the confidence scores of pseudo-labels to improve the utilization of unlabeled data, but also strengthens training supervision for effective finetuning. Furthermore, we exploit task-relevant open data, e.g., those retrieved from VLMs' publicly available pretraining set. To mitigate the imbalance and domain gaps in retrieved data, we employ a stage-wise training strategy. Building on the successful finetuning of VLMs and the exploitation of open data, we present a simple yet effective SSFSL method, Stage-Wise Finetuning with Temperatures (SWIFT). Across five benchmarks, SWIFT outperforms recent FSL and SSL methods by $\sim$5 accuracy points. SWIFT even rivals supervised learning, which finetunes a VLM assuming unlabeled data having ground-truth labels!

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09.
arXiv (CS.LG) 2026-06-24

KLip-PPO: A per-sample KL perspective on PPO-Clip

Authors:
Riccardo Colletti↗Robin Holzinger↗

arXiv:2606.23932v1 Announce Type: new Abstract: Proximal Policy Optimization (PPO) is the standard policy-gradient algorithm for on-policy reinforcement learning. The literature presents it in two forms, a clipped surrogate that bounds the importance ratio between successive policies and a Kullback-Leibler penalty between them. These forms are treated as separate algorithms with their own gradients, their own hyperparameters, and their own reference implementations, and a sizeable body of empirical work compares them. We show that the gradient of the clipped surrogate is reproduced exactly by a Kullback-Leibler surrogate whose coefficient varies per sample, with closed-form dependence on the importance ratio and the advantage. The identity holds at every minibatch step and across the entire inner loop, and on five MuJoCo continuous-control benchmarks the two losses produce indistinguishable training curves. The reformulation exposes a structural feature of the clipped surrogate that the min notation hides. PPO-Clip's implicit per-sample penalty is a step function at the boundary of the trust region, and the shape of this coefficient is the natural design axis for generalising the algorithm. We sketch the resulting follow-up directions in the discussion.

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10.
arXiv (quant-ph) 2026-06-15

Path superposition activating perfect quantum teleportation ability for separable states

Authors:
Sayan Mondal↗Priya Ghosh↗Ujjwal Sen↗

arXiv:2505.11398v2 Announce Type: replace Abstract: Quantum teleportation is a quintessential quantum communication protocol that enables the transmission of an arbitrary quantum state between two distant parties without physically transmitting the state with the help of shared entanglement and limited classical communication. We show that it is possible to relax the entanglement requirement in quantum teleportation if we have access to a certain strain of superposition of quantum processes. Two types of superposition of quantum processes are generally considered in the literature: superposition of paths identified with quantum maps and superposition of indefinite causal orders of the maps. We find that when superposition of paths is incorporated in the protocol, quantum teleportation with unit fidelity becomes possible with nonzero probability of 1/4 even when the two parties share certain classes of separable states, including pure product states. In contrast, the assistance of superposition of indefinite causal order of quantum maps in teleportation protocol does not enable any quantum advantage for shared pure product states. Furthermore, we show that separable Werner states can also yield quantum advantage in quantum teleportation assisted by the superposition of paths. Finally, we establish that the presence of quantum coherence in the control qubit is both necessary and sufficient to achieve quantum advantage in quantum teleportation assisted with superposition of paths. The results potentially uncover yet another role of quantum superposition, in general, in teleportation versus entanglement.

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11.
arXiv (CS.AI) 2026-06-24

Repeated Shared Access Enables Grokking, but Edit Propagation Depends on an Addressable Memory

Authors:
Yanan Niu↗

arXiv:2606.20737v2 Announce Type: replace Abstract: We study factual edit propagation in a controlled synthetic knowledge-graph QA setting using a 2x2 grid that crosses loop recurrence with shared-memory access: a dense transformer (Dense), a looped transformer (Loop), a dense backbone with shared memory (Dense+Mem), and a looped backbone with shared memory (loop-memory coupling, LMC). The two factors dissociate. For learning, both routes to repeated shared access – looped recomputation and repeated memory rereading – cross the out-of-distribution (OOD) grokking barrier that Dense fails, so repeated shared access is the behavioral regularity, not a specific architecture. For editing, the substrates split along a different axis: applying a single localized factual edit (conditioned on direct success) and measuring 2-hop propagation on a shared pre-edit-correct set, the edit propagates strongly in both memory-bearing cells (LMC 0.78-0.92, Dense+Mem 0.71-0.96) and only weakly in the memory-free ones (Loop 0.04-0.30, Dense 0.00-0.03). The split is along the memory axis, not the loop axis: every memory-bearing seed exceeds every memory-free seed, with no detectable difference between the two memory cells. Crucially Dense+Mem has no recurrence, so the propagating ingredient is an addressable site that an edit can write to and later computation rereads, not loop recomputation; Loop is at best a partial intermediate. The affordance survives coarsening the store (N=128 to N=13): propagation attenuates but the memory/no-memory split persists, so fine granularity buys precision rather than the affordance itself. These results dissociate learning competence from editing affordance – repeated shared access suffices to grok, but edit propagation depends on whether the substrate exposes an addressable memory that the forward computation can write to and later reread, an affordance that loop recurrence provides only partially.

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

Multi-Variable Stellar Parameter Estimation Using Residual Multitask Neural Networks

Authors:
Bruno Santos Meneses Barreto↗Marcio Eisencraft↗

arXiv:2606.13868v1 Announce Type: cross Abstract: We present an end-to-end pipeline for estimating stellar parameters from Sloan Digital Sky Survey Data Release 12 spectra using a fully connected multitask neural network with residual blocks, whose hyperparameters are tuned via Bayesian optimization. The preprocessing pipeline includes per-spectrum standardization, RobustScaler normalization of the target variables – effective temperature $T_{\mathrm{eff}}$, metallicity $[\mathrm{Fe/H}]$, and surface gravity $\log g$ – and data augmentation via Gaussian noise injection. On a held-out test set, the model achieved Mean Absolute Errors (MAE) of $59.76~\mathrm{K}$ for $T_{\mathrm{eff}}$, $0.103~\mathrm{dex}$ for $[\mathrm{Fe/H}]$, and $0.130~\mathrm{dex}$ for $\log g$. Normalized against the full-scale range of each parameter, these results represent range-normalized errors between $1\%$ and $3\%$, achieved with a highly efficient model complexity of approximately 540,000 trainable parameters. These results demonstrate that a compact residual multitask architecture, combined with principled signal preprocessing, provides a parameter-efficient solution for nonlinear parameter estimation in large-scale spectral datasets. In particular, the proposed model achieves competitive performance with substantially lower complexity than deeper neural network baselines.

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13.
arXiv (CS.LG) 2026-06-18

The Road to Artificial SuperIntelligence: A Comprehensive Survey of Superalignment

Authors:
HyunJin Kim↗DongHyun Ryu↗Xiaoyuan Yi↗Jing Yao↗Jianxun Lian↗Muhua Huang↗Shitong Duan↗JinYeong Bak↗Xing Xie↗

arXiv:2412.16468v4 Announce Type: replace Abstract: The emergence of large language models (LLMs) has sparked discussion on Artificial Superintelligence (ASI), a hypothetical AI system that surpasses human intelligence. Although ASI remains hypothetical and far beyond current AI capabilities, discussing its potential and exploring its feasibility and potential risks is critical for the development of future AI systems. The idea of superalignment originates from scalable oversight, which studies how to supervise increasingly capable AI systems when direct human supervision becomes insufficient. In this paper, we focus on the superalignment problem: "The process of supervising, controlling, and governing artificial superintelligence." We first review scalable oversight paradigms-Sandwiching, Self-Enhancement, and Weak-to-Strong Generalization – then analyze the limitations of current paradigms through the lens of possibility and impossibility, discuss key challenges, and propose pathways for the safe and continual improvement of future AI systems.

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14.
arXiv (CS.CL) 2026-06-15

OdysSim: Building Foundation Models for Human Behavior Simulation

Authors:
Xuhui Zhou↗Weiwei Sun↗Weihua Du↗Jiarui Liu↗Haojia Sun↗Qianou Ma↗Tongshuang Wu↗Yiming Yang↗Maarten Sap↗

Large language models are increasingly deployed as human simulators for interactive evaluation and social simulation. Yet helpfulness-driven post-training pulls them toward a homogeneous, overly agreeable assistant register, creating a behavioral Sim2Real gap. We present OdysSim, the largest open systematic investigation of behavioral foundation models, i.e., models trained to simulate human behavior at scale. We propose SOUL, a taxonomy of five capability axes (CONV, SS, COG, ROLE, EVAL) that unifies 62 datasets and 23 benchmark tasks under one framework. Specifically, we curate the OdysSim corpus (21.4M interactions, 10B tokens, retrofitted with back-generated social contexts), construct the SOUL-Index benchmark, and develop an end-to-end training recipe combining midtraining, task-specific RL, and expert distillation. The resulting open 8B OSim model ranks first or tied-first on 8 of 23 tasks, outperforming any individual frontier model by this count, with the strongest gains on conversational and social tasks. Its outputs are also more human-like in length, formatting, and word choice, and it transfers zero-shot to out-of-distribution user simulation on $\tau$-bench, nearly matching real users on reaction alignment (93.2 vs. 93.5). We further show that LLM-as-judge RL induces reward-hacking patterns, and that our detectors can mitigate them during post-training. Together, our findings suggest that behavioral foundation models require rethinking the LLM training paradigm. We release all artifacts to support future research.

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

SPRI: SVD-Partitioned Residual Initialization for Data-Constrained MoE Upcycling

Authors:
Weiqiao Shan↗Ruixiang Mao↗Yuang Li↗Yuhao Zhang↗Yingfeng Luo↗Tong Zheng↗Chen Xu↗Yucheng Qiao↗Chunxiang Jin↗Yi Yuan↗Jingdong Chen↗Tong Xiao↗…

arXiv:2606.16456v1 Announce Type: cross Abstract: Mixture-of-Experts (MoE) models enable efficient scaling, but training them from scratch remains prohibitively expensive. MoE upcycling mitigates this cost by converting pretrained dense models into sparse MoE models. However, existing upcycling methods typically rely on large-scale continued training and often perform poorly under data-constrained supervised adaptation, due to either homogeneous experts or overly disruptive perturbations to pretrained parameters. In this setting, effective upcycling must leverage pretrained weight structure while introducing sufficient diversity among routed experts. To this end, we propose SVD-Partitioned Residual Initialization (SPRI), which distributes SVD-partitioned residuals derived from pretrained feed-forward network (FFN) weights across routed experts, introducing controlled expert diversity grounded in pretrained spectral structure. We further introduce a two-stage training strategy to improve adaptation stability. We evaluate SPRI on multilingual speech-to-text translation, where limited supervised data challenges MoE upcycling and multiple target languages provide natural routing heterogeneity. On CoVoST2 across 15 En-to-XX directions, SPRI improves average BLEU and COMET over fully fine-tuned dense models by 2.58 and 3.32 points, respectively, and outperforms the prior best MoE upcycling baseline by 3.39 BLEU and 4.34 COMET points.

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16.
arXiv (CS.CV) 2026-06-12

MagPlus: Bridging Micro-to-Regular Facial Expressions through Learnable Magnification

Authors:
Sliman Jammal↗Andrei Sharf↗

Facial micro-expressions are subtle and short-lived facial movements that provide important cues about genuine human emotions. However, modeling and generating them remains difficult because annotated micro-expression data is limited and the underlying facial motions are extremely weak. Existing micro-expression generation methods therefore often suffer from limited quality, weak robustness, and poor generalization. We propose MagPlus, a transferable micro-expression processing pipeline that connects micro-expression analysis with standard facial animation models. Instead of training a dedicated generator from scratch, MagPlus learns to magnify subtle facial motions into the range of regular facial expressions, transforming micro-expressions into signals that are compatible with existing facial expression processing models. The magnified sequence is then used by a standard facial expression model for tasks such as transfer and synthesis. A complementary DeMagPlus module then restores the generated motion back to realistic micro-expression intensity levels while preserving the synthesized dynamics. We evaluate the framework using four facial animation models: FOMM, FSRT, MetaPortrait, and EmoPortraits. None of these models are trained on micro-expression data. Experiments show that MagPlus-DeMagPlus enables pretrained macro-expression models to generate more realistic micro-expression motion without retraining the backbones.

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

MedicalAgentsBench for Complex Medical Reasoning: Comparing Internalized Reasoning Models versus Externalized Agent-based Frameworks

Authors:
Yanjun Shao↗Xiangru Tang↗Jiwoong Sohn↗Jiapeng Chen↗Yuxuan Liao↗Jiayi Zhang↗Jinyu Xiang↗Fang Wu↗Yilun Zhao↗Chenglin Wu↗Wenqi Shi↗Arman Cohan↗…

Complex medical reasoning requires integrating heterogeneous clinical evidence across multiple inference steps. Large language models (LLMs) now approach this through two routes: internalized reasoning and externalized agent scaffolding (frameworks that decompose problems collaboratively amongst multiple LLMs). To determine whether these routes are exclusive or complementary, we introduce MedicalAgentsBench, a filtered benchmark of 862 complex clinical questions drawn from the union of eight medical datasets via difficulty-aware curation and contamination screening. Evaluating three internalized reasoning models (DeepSeek-R1, o1-mini, and o3-mini), seven base models, and nine externalized agent-based methods, we find that internalized and externalized approaches each independently improve performance, and that their benefits compound: the highest accuracy is achieved by layering agent workflows onto an internalized reasoning model (i.e., o3-mini + MDAgents with 35.1%). Pareto analysis shows this combination dominates the cost-performance frontier; moreover, lightweight optimization on inexpensive models offers an entry point for resource-constrained settings. Our benchmark is at https://github.com/gersteinlab/MedicalAgentsBench.

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18.
arXiv (CS.LG) 2026-06-24

Neural Posterior Estimation of Terrain Parameters from Radar Sounder Data

Authors:
Jordy Dal Corso↗Annalena Kofler↗Marco Cortellazzi↗Lorenzo Bruzzone↗Bernhard Sch\"olkopf↗

arXiv:2605.08179v2 Announce Type: replace-cross Abstract: Radar sounders are electromagnetic instruments that can probe deep into the subsurface of Earth and other planetary bodies by processing the echo of transmitted radar waves. Conventional approaches for analyzing such data rely on approximate assumptions and often produce point estimates that ignore parameter correlations as well as galactic and measurement noise. We propose a simulation-based inference approach to terrain parameter inversion from radar sounder data, where synthetic observations from a GPU-based simulator are used to train a neural network-based density estimator for neural posterior estimation (NPE). By explicitly conditioning on reference surface assumptions, the proposed framework allows systematic evaluation of posterior robustness to reference surface variability. We demonstrate that our NPE model is well calibrated on simulated data and transferable to real Mars radar profiles, where we analyze terrain parameters using literature-informed reference values.

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

Retro-Expert: Collaborative Reasoning for Interpretable Retrosynthesis

Authors:
Xinyi Li↗Sai Wang↗Yutian Lin↗Yu Wu↗

arXiv:2508.10967v3 Announce Type: replace-cross Abstract: Retrosynthesis prediction aims to infer the reactant molecules based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing methods rely on a static pattern-matching paradigm, which limits their ability to perform effective logical decision-making from chemical data, leading to a black-box process. We propose Retro-Expert, an interpretable retrosynthesis framework that performs collaborative reasoning by combining the complementary strengths of Large Language Models and specialized models via pure reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models provide chemical knowledge that is distilled into a high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions with an interpretable reasoning path, and (3) knowledge-grounded policy optimization refines the interpretable decision policy. Experiments show that Retro-Expert surpasses both LLM-based and specialized models across different metrics, while generating chemically grounded explanations that enhance chemists' trust in practice. The source code for this paper is available at https://github.com/MagixRab-ll/Retro-Expert.

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20.
arXiv (CS.CL) 2026-06-16

ACC: Compiling Agent Trajectories for Long-Context Training

Authors:
Qisheng Su↗Zhen Fang↗Shiting Huang↗Yu Zeng↗Yiming Zhao↗Kou Shi↗Ziao Zhang↗Lin Chen↗Zehui Chen↗Lijun Wu↗Feng Zhao↗

Recent development of agents has renewed demand for long-context reasoning capacity of LLMs. However, training LLMs for this capacity requires costly long-document curation or heuristic context synthesis. We observe that agents produce massive trajectories when solving problems, invoking tools and receiving environment observations across many turns. The evidence needed to answer the original question is thus scattered throughout these turns, requiring integration of distant context segments. Nevertheless, standard agent SFT masks tool responses and only trains turn-level tool selection, creating a supervision blind spot where these scattered signals go unused. We propose Agent Context Compilation (ACC), which converts trajectories from search, software engineering, and database querying agents into long-context QA pairs that combine the original question with tool responses and environment observations gathered across multiple turns, training the model to answer directly without tool use. This makes the dependencies between the question and the evidence explicit, enabling direct supervision of long-context reasoning over distant segments without additional annotation. ACC is a simple but effective approach that can be combined with any existing long-context extension or training method, providing scalable supervised fine-tuning data. We validate ACC on long-range dependency modeling tasks through MRCR and GraphWalks, challenging benchmarks requiring cross-turn coreference resolution and graph traversal over extended contexts. Training Qwen3-30B-A3B with ACC achieves 68.3 on MRCR (+18.1) and 77.5 on GraphWalks (+7.6), results comparable to Qwen3-235B-A22B, while preserving general capabilities on GPQA, MMLU-Pro, AIME, and IFEval. Further mechanism analysis reveals that the ACC-trained model exhibits task-adaptive attention restructuring and expert specialization.

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

Acoustic Prompting via Stage-wise Modulation for Few-Shot Learning in Audio Language Models

Authors:
Hyebin Cho↗Jaehyuk Jang↗Changick Kim↗Joon Son Chung↗

arXiv:2606.15751v1 Announce Type: cross Abstract: Audio-Language Models (ALMs) have shown remarkable success in zero-shot audio classification by aligning audio waveforms with text. Recent efforts to improve downstream performance focus on learning optimal text prompts. However, previous approaches focus on the text encoder, leaving the potential of learnable prompts within the audio encoder unexplored. In this paper, we propose a novel framework that introduces trainable prompts into the audio encoder to capture task-specific acoustic features. We demonstrate that integrating audio-side prompt learning with existing text-side approaches enhances few-shot adaptation. Through extensive experiments across 11 datasets show that integrating our method as a plug-and-play module alongside existing text prompt tuning generally leads to performance improvements. These findings suggest that explicitly modulating the audio representation space effectively complements text-only prompting approaches. The code is available at https://github.com/hyebin-c/aspl.

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22.
arXiv (CS.CL) 2026-06-18

STARE: Surprisal-Guided Token-Level Advantage Reweighting for Policy Entropy Stability

Authors:
Haipeng Luo↗Qingfeng Sun↗Songli Wu↗Can Xu↗Wenfeng Deng↗Han Hu↗Yansong Tang↗

Reinforcement Learning with Verifiable Rewards algorithms like GRPO have emerged as the dominant post-training paradigm for complex reasoning in LLMs, yet commonly suffer from policy entropy collapse during training. We conduct a first-order gradient analysis of token-level entropy dynamics under GRPO and identify a token-level credit assignment mismatch: the per-token entropy variation decomposes into the product of the trajectory-level advantage and an entropy sensitivity function over the next-token distribution, yielding an advantage-surprisal four-quadrant structure and a near-criticality property. Motivated by it, we propose STARE (Surprisal-guided Token-level Advantage Reweighting for policy Entropy stability), which identifies entropy-critical token subsets via batch-internal surprisal quantiles, selectively reweights their effective advantages, and incorporates a target-entropy closed-loop gate for stable entropy regulation. Across model scales from 1.5B to 32B and three task families (Short CoT, Long CoT, and Multi-Turn Tool Use), STARE sustains stable RL training over thousands of steps while maintaining policy entropy within the target band. On AIME24 and AIME25, STARE outperforms DAPO and other competitive baselines by 4%-8% in average accuracy, with reflection tokens and response length growing in tandem, indicating sustained exploration-exploitation balance that further unlocks RL training potential.Code is available at https://github.com/hp-luo/STARE.

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23.
arXiv (CS.CV) 2026-06-24

Neural Particle Automata: Learning Self-Organizing Particle Dynamics

Authors:
Hyunsoo Kim↗Ehsan Pajouheshgar↗Sabine S\"usstrunk↗Wenzel Jakob↗Jinah Park↗

We introduce Neural Particle Automata (NPA), a Lagrangian generalization of Neural Cellular Automata (NCA) from static lattices to dynamic particle systems. Unlike classical Eulerian NCA where cells are pinned to pixels or voxels, NPA model each cell as a particle with a continuous position and internal state, both updated by a shared, learnable neural rule. This particle-based formulation yields clear individuation of cells, allows heterogeneous dynamics, and concentrates computation only on regions where activity is present. At the same time, particle systems pose challenges: neighborhoods are dynamic, and a naive implementation of local interactions scale quadratically with the number of particles. We address these challenges by replacing grid-based neighborhood perception with differentiable Smoothed Particle Hydrodynamics (SPH) operators backed by memory-efficient, CUDA-accelerated kernels, enabling scalable end-to-end training. Across tasks including morphogenesis, point-cloud classification, and particle-based texture synthesis, we show that NPA retain key NCA behaviors such as robustness and self-regeneration, while enabling new behaviors specific to particle systems. Together, these results position NPA as a compact neural model for learning self-organizing particle dynamics.

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24.
arXiv (CS.AI) 2026-06-18

Compute Efficiency and Serial Runtime Tradeoffs for Stochastic Momentum Methods

Authors:
Depen Morwani↗Alexandru Meterez↗Pranav Nair↗Sham Kakade↗

arXiv:2606.19179v1 Announce Type: cross Abstract: Stochastic momentum methods such as heavy ball (HB), Nesterov momentum, and variants of Accelerated SGD (ASGD) [Kidambi et al., 2018] are widely used in modern training, but their stochastic benefits depend on two distinct quantities: serial runtime, the number of iterations needed to reach a target accuracy, and compute efficiency (CE), the inverse total gradient-query or FLOP cost. Larger batches reduce serial runtime without hurting CE only when the contraction gap grows linearly with batch size. We study stochastic HB and ASGD for consistent linear regression with Gaussian covariates and prove finite-dimensional, discrete-time lower bounds on their batch-size tradeoffs. Our first result shows that HB does not improve the CE frontier over SGD for arbitrary spectra; rather, it preserves SGD-level CE over a larger batch-size window, allowing larger batches to reduce serial runtime until HB reaches its deterministic accelerated scale. This window can be a factor $\sqrt{\kappa}$ larger than the SGD critical batch size. For ASGD, the picture is more spectrum-dependent: for rapidly decaying power-law spectra, ASGD improves small-batch CE over HB/SGD, but as batch size grows it trades this CE advantage for improved serial runtime. Synthetic linear-regression experiments verify these qualitative regimes, including near-overlap of ASGD and HB for slowly decaying spectra and the predicted CE–serial tradeoff for rapidly decaying spectra.

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25.
arXiv (CS.CL) 2026-06-24

MMed-Bench-IR: A Heterogeneous Benchmark for Multilingual Medical Information Retrieval

Authors:
Junhyeok Lee↗Han Jang↗Hyeonjin Goh↗Kyu Sung Choi↗

Retrieval-augmented generation (RAG) in clinical settings increasingly requires multilingual retrieval against predominantly English evidence corpora. Multilingual medical retrieval demands three capabilities: cross-lingual alignment, concept discrimination, and evidence retrieval. However, existing benchmarks evaluate these only in isolation, leaving the interaction between biomedical expertise and multilingual coverage unmeasured. We introduce MMed-Bench-IR, a benchmark designed to disentangle these axes across 6 languages and three structurally heterogeneous tasks: (1) cross-lingual medical QA retrieval with 6,127 queries grounded in the Unified Medical Language System (UMLS), (2) concept discrimination over 4,975 confusion sets at three difficulty tiers, and (3) multilingual evidence retrieval for RAG with 2,040 quality-assured queries. The three tasks share zero concept and query overlap by design, ensuring that aggregate scores reflect genuine capability breadth. Evaluation of ten systems across six paradigm families reveals severe cross-lingual failure: biomedical encoders that score 0.818 nDCG@10 in English drop to 0.056 in Japanese, a gap that English-only benchmarks cannot detect.

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