中 EN
登录 注册账户

Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达，利用大语言模型自动生成交叉领域文献分析简报。

登录 注册账户
01.
arXiv (quant-ph) 2026-06-12

Asymmetric quantum steering harvested near a Lorentz-violating BTZ black hole

作者:
Si-Yu Liu↗Xin-Ze Song↗Xiang-Yue Yu↗Wentao Liu↗Xiao-Li Huang↗Shu-Min Wu↗

arXiv:2606.12766v1 Announce Type: cross Abstract: We investigate the harvesting of quantum steering and its directional asymmetry between two Unruh-DeWitt detectors in a Lorentz-violating BTZ black hole spacetime. Since the detectors are located at different radial positions outside the black hole, they experience inequivalent local environments induced by gravitational redshift, causing Alice to undergo stronger effective thermal noise than Bob. Remarkably, we uncover a counterintuitive phenomenon in which the detector subjected to a higher effective temperature exhibits stronger steerability than the other one, revealing a nontrivial inversion of thermal intuition in curved spacetime. Furthermore, quantum steering survives only within a finite window of detector energy gaps and reaches its maximum within an optimal regime. We find that Lorentz violation suppresses steering most strongly near this optimal energy gap, indicating an enhanced sensitivity of maximal correlation extraction to symmetry breaking effects. Our results demonstrate that Lorentz violation acts as a geometric constraint on the quantum information capacity of spacetime, simultaneously restricting both the strength and the directionality of quantum correlations.

阅读与讨论 → 访问原文 →
02.
arXiv (quant-ph) 2026-06-16

Complete Relational Description of Spin in a Quantum Background

作者:
Hannah Troger↗Ofek Bengyat↗Thomas D. Galley↗Marios Christodoulou↗

arXiv:2606.15873v1 Announce Type: new Abstract: The standard description of the state of a spin in quantum mechanics presupposes externally fixed directions – a classical background. Can a spin be fully described instead in relation to other quantum mechanical systems? Poulin suggested twenty years ago group averaging over rotations the joint state of a fundamental spin and a reference spin with large angular momentum which, however, yields a classical bit in a probabilistic mixture. We revisit this idea and show that when the quantum reference system is augmented to two large spins, the standard quantum mechanical description of a spin is recovered in the limit of large quantum numbers for the reference system.

阅读与讨论 → 访问原文 →
03.
Nature (Science) 2026-06-10

Efficient and accurate neural-field reconstruction using resistive memory

作者:
Yifei Yu↗

Applications such as medical imaging, augmented and virtual reality, and embodied artificial intelligence (AI) depend on the ability to reconstruct complex signals from sparse observations. These applications are characterized by incomplete measurements and limited computational resources. Traditional approaches to digital hardware face the following challenges: explicit signal representations require heavy sampling and storage, data movement across the von Neumann bottleneck dominates energy and latency, and CMOS (complementary metal–oxide–semiconductor)-based circuits offer limited parallel efficiency. Here we present a software–hardware co-optimization framework for sparse-input signal reconstruction. At the software level, we use neural fields1 to implicitly represent signals using neural networks, which are further compressed by low-rank decomposition and structured pruning. At the hardware level, we design a resistive-memory-based computing-in-memory platform, featuring a Gaussian encoder and a multi-layer perceptron processing engine. The Gaussian encoder leverages the intrinsic stochasticity of resistive memory for efficient encoding, whereas the processing engine enables precise weight mapping through a hardware-aware quantization circuit. On a 40-nm 256 Kb resistive-memory macro, the system delivers 23.5×, 21.0× and 32.3× gains in projected energy efficiency, together with 10.8×, 38.8× and 6.2× gains in projected parallelism, for three-dimensional computed tomography sparse reconstruction, novel view synthesis and dynamic-scene novel view synthesis, without compromising on reconstruction quality. This work advances AI-driven signal reconstruction technology and paves the way for future efficient and robust medical AI and three-dimensional vision applications. A co-optimized AI hardware–software system using resistive-memory computing improves energy efficiency and parallelism for sparse signal reconstruction in imaging and three-dimensional vision applications.

阅读与讨论 → 访问原文 →
04.
arXiv (CS.CV) 2026-06-18

Multi-Class Brain Tumor Classification Using Advanced Deep Learning Models: A Comparative Study

作者:
Asad Channa↗Asghar Ali Chandio↗Akhtar Hussain Jalbani↗Mehwish Leghari↗Shahzad Memon↗

Despite recent advancements in deep learning, accurately classifying brain tumors from MRI images continues to pose challenges. In this research, we present a comprehensive evaluation of five different convolutional neural networks (CNN) architectures, including a customized baseline model and four pre-trained models - for use in classifying multi-class brain tumors using a clinically-sourced dataset of approximately 10,000 MRI images. We have utilized five different architectures; VGG16, VGG19, DenseNet121, and EfficientNetB0, which were all tested and trained within an identical experimental framework. Performance was measured by both overall accuracy and tumor-wise recall as a means to measure the clinically-relevant performance of each architecture. We found that EfficientNetB0 had the best overall classification accuracy at 95%, when compared to the other architectures tested; specifically VGG16 (94.37%), VGG19 (92.29%), DenseNet121 (90.91%) and the customized CNN (78.00%). An especially important finding of our research was the considerable improvement in detecting meningiomas; specifically, while simple CNNs could detect meningiomas with a recall rate of approximately 20%, EfficientNetB0 was able to detect meningiomas with a recall rate of 89%. Meningiomas are often difficult to detect because they can appear very subtly on MRI images. Additionally, an interesting finding was that the deeper VGG19 performed worse than the shallower VGG16. This indicates that in many cases the architectural efficiency of a CNN model may be more important than its depth when working with medical images. Overall, EfficientNetB0 appears to provide the optimal trade-off between classification accuracy, number of parameters used in the model and clinically meaningful performance.

阅读与讨论 → 访问原文 →
05.
arXiv (CS.LG) 2026-06-16

Next-Latent Prediction Transformers Learn Compact World Models

作者:
Jayden Teoh↗Manan Tomar↗Kwangjun Ahn↗Edward S. Hu↗Tim Pearce↗Pratyusha Sharma↗Akshay Krishnamurthy↗Riashat Islam↗Alex Lamb↗John Langford↗

arXiv:2511.05963v4 Announce Type: replace Abstract: Transformers replace recurrence with a memory that grows with sequence length and self-attention that enables ad-hoc lookups over past tokens. Consequently, they lack an inherent incentive to compress history into compact latent states with consistent transition rules. This often leads to learning solutions that generalize poorly. We introduce Next-Latent Prediction (NextLat), which extends standard next-token training with self-supervised predictions in the latent space. Specifically, NextLat trains a transformer to learn latent representations that are predictive of its next latent state given the next token. Theoretically, we show that these latents provably converge towards belief states, compressed information about the history necessary to predict the future. This simple auxiliary objective injects a recurrent inductive bias into transformers while leaving their architecture, parallel training efficiency, and inference unchanged. NextLat effectively encourages transformers to form compact internal world models with coherent belief states and transition dynamics – crucial properties not guaranteed by standard next-token prediction alone. Empirically, across benchmarks in world modeling, reasoning, planning, and language modeling, NextLat demonstrates significant gains over standard next-token prediction and other baselines in downstream accuracy, representation compression, and lookahead planning. Furthermore, NextLat enables variable-length self-speculative decoding, accelerating inference by up to 3.3x in language modeling. NextLat offers a simple yet effective paradigm for learning compact, predictive representations in transformers that generalize better. Our code is available at https://github.com/JaydenTeoh/NextLat.

阅读与讨论 → 访问原文 →
06.
arXiv (CS.CL) 2026-06-18

Written by AI, Managed by AI: Semantic Space Control and Index Sickness Elimination Across 391 Consecutive Sessions

作者:
Hui Zhang↗Shuren Song↗

The prevailing engineering intuition for addressing conceptual drift in long-horizon LLM collaboration is to trade more formal constraints for more reliable outputs – designing symbolic identifier systems, accumulating defensive rules in System Prompts, expanding context windows. Our engineering record shows that in long-horizon settings, this direction may produce effects contrary to design intent. Using action research methods in a real software project (Bang-v3) spanning approximately one month and 391 collaborative sessions, we document and analyze the failure process of these strategies. When the symbolic system exceeds a complexity threshold, LLMs do not become more accurate – instead, they abandon genuine understanding of business semantics, retreat to self-referential reasoning within the symbolic layer, and generate outputs that appear internally consistent but are physically disconnected from reality. We name this failure pattern "Index Sickness," and its canonical manifestation "Phantom Legislation." We name the underlying principle the "Pang Principle (Semantic Vitality Law)": natural language carrying explicit purpose conveys far greater information quality than symbolic expression. From this, we design and validate its physical engineering mechanism: "Baseline-Log Physical Separation." In the same project, this mechanism reduced AI Instructions volume by ~75%, and across the subsequent ~150 sessions, no recurrence of Index Sickness was observed. A bilingual companion version (Chinese) is included as supplementary material.

阅读与讨论 → 访问原文 →
07.
PLOS Computational Biology 2026-06-22

GrassSV – hybrid method to detect structural variants in high throughput DNA-seq data

作者:
Dominik Witczak↗

by Dominik Witczak, Krzysztof Sychla, Julia Wysocka, Artur Laskowski, Wojciech Frohmberg, Marta Glowacka, Alicja Dzik, Piotr Lukasiak, Jacek Blazewicz, Aleksandra Swiercz Genetic diversity is crucial for populations to adapt and survive in dynamic environments. This diversity arises from genetic mutations, which manifest in the genome as structural variants (SVs). Several types of SVs exist, but not all are equally easy to detect. Current SV detection tools tend to specialize in certain SV types or require the use of multiple tools to obtain a comprehensive variant profile, which increases computational cost and complexity. While some methods excel at identifying breakpoints, they often struggle with accurately classifying variant types, and their precision depends strongly on data quality and sequencing technology. At present, the majority of available genomic data originates from high-quality short reads, which remain the most affordable sequencing technology. In this manuscript, we introduce GrassSV, a novel and computationally efficient method that employs a hybrid pattern-matching approach to detect all major classes of structural variants using short-read sequencing data. GrassSV integrates depth-of-coverage analysis with contig-based pattern recognition to ensure both sensitivity and precision while minimizing false positives and runtime. Its robustness was demonstrated on the human Genome in a Bottle dataset, as well as on synthetic data derived from the yeast genome, where it achieved high accuracy across all SV types at a lower computational cost compared to existing methods. This makes GrassSV a practical alternative to multi-tool pipelines typically required for comprehensive SV detection. GrassSV is available at https://github.com/Domomod/GrassSV under GPL-3.0 license and the benchmark at: https://github.com/Domomod/GrassBenchmark.

阅读与讨论 → 访问原文 →
08.
arXiv (CS.CV) 2026-06-16

HorusEye: Language as Dynamic Attention for Emergency Visual Analysis

作者:
Armel Yara↗

We introduce HorusEye, Language as Dynamic Attention for Emergency Visual Analysis. Our investigation followed five stages. The first one is benchmarking RefCOCO-Degraded, a dataset of 15,244 images (3,811 base images x 4 conditions: Clean, Fog, Smoke and Thermal) with systematic visual degradation. Through four research questions, we evaluate multiple VLMs (Gemini, Qwen2-VL, BLIP-2, LLaVA, Kosmos-2) across visual grounding the second stage, language feedback recovery the third one, health VQA tasks the fourth, and hallucination analysis the final stage. Our key finding is that language feedback effectiveness is model-dependent: Gemini achieves +47.3% improvement in thermal conditions through iterative language feedback, while Qwen2-VL shows -5.1% degradation under the same protocol. We also identify the 'Thermal Paradox' where cropping strategies that improve RGB performance catastrophically fail in thermal imagery. Furthermore, BLIP-2 uniquely hallucinates more under degradation, making it unsuitable for emergency deployment

阅读与讨论 → 访问原文 →
09.
arXiv (CS.CL) 2026-06-16

TMASC: Transmasculine Attitude and Speech Corpus

作者:
Sidney Wong↗

We introduce the Transmasculine Attitudes and Speech Corpus (TMASC), a multimodal corpus of 196 transmasculine individuals, including questionnaire responses and 66 audio recordings. The questionnaire includes items exploring the vocal health of transmasculine individuals. The audio recordings include cough and throat-clearing samples, a reading passage, and additional session-specific questions. This paper outlines the development of this corpus and the data collection procedures. To illustrate the utility of this corpus, we present three case studies demonstrating how this crowd-sourced multimodal corpus can be used to support transmasculine individuals. These include the integration of perceptual and acoustic data, the identification of group-level characteristics, and the calibration of acoustic measurements.

阅读与讨论 → 访问原文 →
10.
arXiv (CS.CL) 2026-06-17

MLLP-VRAIN UPV system for the IWSLT 2026 Simultaneous Speech Translation task

作者:
Jorge Iranzo-S\'anchez↗Gerard Mas-Moll\`a↗Adri\`a Gim\'enez↗Jorge Civera↗Albert Sanchis↗Alfons Juan↗

This work describes the participation of the MLLP-VRAIN research group in the shared task of the IWSLT 2026 Simultaneous Speech Translation track. Our submission utilizes the recently released Parakeet and Qwen 3.5 models to create a robust, cascaded solution for long-form SimulST through the use of adaptive "black-box" policies. We explore relaxations of these policies to achieve better quality-latency trade-offs. Compared to last year, we participate on all language directions. In addition to this, for the En$\rightarrow${De, It, Zh} directions we also participate in this year's new context track employing a combination of ASR word-boosting and a RAG mechanism of offline pre-translated exemplars to guide generation and enrich our system with domain-specific context. Finally, we provide a detailed latency analysis of our system. Compared to last year, results on the MCIF En$\rightarrow$De test set shows a substantial quality improvement of +5.82 XCOMET-XL. Our context track processing further improves performance by +1.03.

阅读与讨论 → 访问原文 →
11.
arXiv (CS.CL) 2026-06-15

Implicit Reasoning for Large Language Model-based Generative Recommendation

作者:
Yinhan He↗Liam Collins↗Bhuvesh Kumar↗Jundong Li↗Neil Shah↗Donald Loveland↗

Large Language Models (LLMs) are increasingly adopted as backbones for Generative Recommendation (GR), promising access to pretrained world knowledge. Yet reliably invoking this knowledge for GR remains poorly understood. A key obstacle is that LLM-based GR typically represents items with Semantic IDs (SIDs), disrupting LLMs' natural-language reasoning interface because these tokens are unseen by the LLM during pretraining. Existing approaches address this with expensive multi-stage pipelines that ground SIDs and elicit explicit rationales, but offer limited insight into when and why each stage is necessary. In this work, we systematically decompose explicit reasoning training pipelines for LLM-based GR, revealing three key limitations: weakened world-knowledge verbalization, misalignment between SID and natural-language token embedding spaces, and sensitivity to rationale quality, all of which hurt explicit reasoning performance. To circumvent these issues, we propose PauseRec, a lightweight implicit reasoning paradigm tailored for GR. PauseRec is exceptionally practical, avoiding costly reasoning trace acquisition and reasoning alignment training, leading to a multitude of benefits: (1) it outperforms standard explicit CoT methods by up to 6.22%, (2) it reduces training cost by up to 65% GPU hours, and (3) it speeds up inference by up to 71.3%. These results position PauseRec as a lightweight alternative to explicit rationale generation, enabling more effective and efficient LLM-based GR.

阅读与讨论 → 访问原文 →
12.
arXiv (CS.CL) 2026-06-16

SkillsVote: Lifecycle Governance of Agent Skills from Collection, Recommendation to Evolution

作者:
Hongyi Liu↗Haoyan Yang↗Tao Jiang↗Bo Tang↗Feiyu Xiong↗Yuyu Luo↗Zhiyu Li↗

Long-horizon LLM agents generate traces that could become reusable experience, but raw trajectories are noisy, local, and hard to govern. Agent Skills offer a structured artifact for combining procedural guidance, executable resources, and applicability boundaries. Yet open skill ecosystems contain redundant, uneven, environment-sensitive artifacts, and indiscriminate updates can pollute future context. We present SkillsVote, a lifecycle-governance framework for Agent Skills across collection, recommendation, attribution, and evolution. SkillsVote profiles a million-scale open source corpus for environment requirements, quality, and verifiability, and synthesizes tasks for verifiable skills. Before execution, it performs agentic library search over structured skill folders to expose instructional context. After execution, it decomposes trajectories into skill-linked subtasks, attributes outcomes to skill-guided execution, agent exploration, environment, and result signals, and admits only successful reusable discoveries to evidence-gated updates. Experiments on Terminal-Bench 2.0 and SWE-Bench Pro show that SkillsVote improves agent performance on challenging agentic coding benchmarks. The gains arise from two complementary pathways: online evolution over task streams at test time and offline transfer via frozen libraries built from either historical trajectories or curated open source skills.

阅读与讨论 → 访问原文 →
13.
arXiv (CS.AI) 2026-06-18

Correcting Sensor-Induced Distribution Drift with Wasserstein Adversarial Learning

作者:
Saraa Ali↗Vladimir Bocharnikov↗Fedor Ratnikov↗Mikhail Hushchyn↗Artem Ryzhikov↗Denis Derkach↗

arXiv:2606.18561v1 Announce Type: cross Abstract: The quality of recorded data depends on the stability of the sensor system that acquires it. Sensor motion and aging can degrade the performance and stability of downstream data-driven methods. We present a Wasserstein-GAN-inspired approach for unsupervised inference of physically interpretable transformation parameters that map a changed detector response distribution back to a nominal reference distribution. In contrast to standard generative modeling, the generator is used as a learnable calibration transformation whose trainable weights represent the sought parameters, while the critic provides a distributional distance signal via the Wasserstein objective. We validate the approach on a tracking-detector toy model with controlled layer shifts and demonstrate its application on high-granularity Geant4-simulated calorimeter data with cell-wise aging effects. The method recovers aging coefficients for individual cells with correlation to ground truth and improves agreement between calibrated and reference energy-sum distributions, while exhibiting the expected degradation at increasing channel-to-channel noise levels. These results indicate that adversarial distribution matching can serve as a data-driven component of calibration strategies in settings where direct labels for degradation parameters are unavailable.

阅读与讨论 → 访问原文 →
14.
arXiv (CS.LG) 2026-06-12

Design Criteria for SGD Preconditioners: Local Conditioning, Noise Floors, and Basin Stability

作者:
Mitchell Scott↗Tianshi Xu↗Ziyuan Tang↗Alexandra Pichette-Emmons↗Qiang Ye↗Yousef Saad↗Yuanzhe Xi↗

arXiv:2511.19716v2 Announce Type: replace-cross Abstract: Stochastic Gradient Descent (SGD) often slows in the late stage of training due to anisotropic curvature and gradient noise. We analyze preconditioned SGD in the geometry induced by a symmetric positive definite matrix $\mathbf{M}$, deriving bounds in which both the convergence rate and the stochastic noise floor are governed by $\mathbf{M}$-dependent quantities: the rate through an effective condition number in the $\mathbf{M}$-metric, and the floor through the product of that condition number and the preconditioned noise level. For nonconvex objectives, we establish a preconditioner-dependent basin-stability guarantee: when smoothness and basin size are measured in the $\mathbf{M}$-norm, the probability that the iterates remain in a well-behaved local region admits an explicit lower bound. This perspective is particularly relevant in Scientific Machine Learning (SciML), where achieving small training loss under stochastic updates is closely tied to physical fidelity, numerical stability, and constraint satisfaction. The framework applies to both diagonal/adaptive and curvature-aware preconditioners and yields a simple design principle: choose $\mathbf{M}$ to improve local conditioning while attenuating noise. Experiments on a quadratic diagnostic and three SciML benchmarks validate the predicted rate-floor behavior.

阅读与讨论 → 访问原文 →
16.
arXiv (CS.CV) 2026-06-16

Region-Adaptive Sampling for Diffusion Transformers

作者:
Ziming Liu↗Yifan Yang↗Chengruidong Zhang↗Yiqi Zhang↗Lili Qiu↗Yang You↗Yuqing Yang↗

Diffusion models (DMs) have become the leading choice for generative tasks across diverse domains. However, their reliance on multiple sequential forward passes significantly limits real-time performance. Previous acceleration methods have primarily focused on reducing the number of sampling steps or reusing intermediate results, failing to leverage variations across spatial regions within the image due to the constraints of convolutional U-Net structures. By harnessing the flexibility of Diffusion Transformers (DiTs) in handling variable number of tokens, we introduce RAS, a novel, training-free sampling strategy that dynamically assigns different sampling ratios to regions within an image based on the focus of the DiT model. Our key observation is that during each sampling step, the model concentrates on semantically meaningful regions, and these areas of focus exhibit strong continuity across consecutive steps. Leveraging this insight, RAS updates only the regions currently in focus, while other regions are updated using cached noise from the previous step. The model's focus is determined based on the output from the preceding step, capitalizing on the temporal consistency we observed. We evaluate RAS on Stable Diffusion 3 and Lumina-Next-T2I, achieving speedups up to 2.36x and 2.51x, respectively, with minimal degradation in generation quality. Additionally, a user study reveals that RAS delivers comparable qualities under human evaluation while achieving a 1.6x speedup. Our approach makes a significant step towards more efficient diffusion transformers, enhancing their potential for real-time applications.

阅读与讨论 → 访问原文 →
17.
arXiv (CS.LG) 2026-06-16

Representation Costs in Data Science: Foundations and the Quasi-Banach Spaces of Deep Neural Networks

作者:
Greg Ongie↗Rahul Parhi↗

arXiv:2606.14954v1 Announce Type: cross Abstract: We develop a general framework for analyzing representation costs of parametric data-fitting methods through their parameter-space regularizers. From this abstract perspective, we define representation costs for arbitrary parametric models and reveal their induced (native) function spaces. This unifies recent function-space views of data-fitting methods. We also prove that many natural results hold in this abstract setting, including representer theorems for parametric methods on their native spaces. The framework also rigorously connects parametric methods with their equivalent nonparametric descriptions under sufficient overparameterization. Classical methods and their native spaces, such as kernel methods / reproducing kernel Hilbert spaces, wavelets / Besov spaces, and shallow neural networks / variation spaces emerge as special cases of our abstract framework. A byproduct of "axiomatizing" the study of representation costs is that we also immediately obtain new results for deep neural networks: For depth-$L$ feedforward ReLU networks, their induced native spaces are $p$-normable quasi-Banach spaces with $p = 2/L$. This reveals that the inductive bias of deep neural networks (as given by the representation cost) cannot be captured by norms for depths $L > 2$.

阅读与讨论 → 访问原文 →
18.
arXiv (CS.LG) 2026-06-12

Evaluation of AutoML Frameworks for IDS under Imbalanced Data Conditions of the NSL-KDD Dataset

作者:
Wiliane Carolina Silva↗Evandro C\'esar Vilas Boas↗Felipe A. P. de Figueiredo↗

arXiv:2606.12611v1 Announce Type: new Abstract: This work investigates the impact of severe class imbalance on the performance of automated machine learning (AutoML) frameworks for multiclass network intrusion detection using the NSL-KDD dataset. Unlike previous studies that simplify the problem through binary classification or minority-class removal, we preserve the original five-class distribution, including highly underrepresented attacks such as R2L and U2R, enabling a realistic evaluation of imbalance-sensitive learning behavior. Nine open-source AutoML frameworks were analyzed under a unified and reproducible experimental protocol, considering differences in architectural design, ensemble strategies, validation procedures, hyperparameter optimization, and imbalance-handling mechanisms. The results demonstrate that frameworks incorporating ensemble learning and imbalance-aware optimization achieve better minority-class discrimination. PyCaret obtained the best overall performance, reaching 66\% macro-F1, followed by AutoGluon with 55\%, whereas frameworks lacking native balancing support exhibited significant degradation in minority-class detection capability. The analysis further shows that accuracy-oriented optimization alone is insufficient for highly imbalanced IDS scenarios, since high-weighted metrics may coexist with poor generalization on rare attack categories. As a contribution, this work establishes a standardized benchmark for AutoML-based intrusion detection under severe multiclass imbalance, highlighting current architectural limitations and the need for native integration of imbalance-aware optimization, resampling, and stratified evaluation strategies into automated learning pipelines. The source code is publicly available.

阅读与讨论 → 访问原文 →
19.
arXiv (CS.CL) 2026-06-12

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

作者:
Zehong Wang↗Yijun Ma↗Connor R. Schmidt↗Tianyi Ma↗Weixiang Sun↗Ziming Li↗Xiaoguang Guo↗Chuxu Zhang↗Matthew J. Webber↗Yanfang Ye↗

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

阅读与讨论 → 访问原文 →
20.
arXiv (CS.LG) 2026-06-16

On the Role of Computation in Reinforcement Learning

作者:
Raj Ghugare↗Micha{\l} Bortkiewicz↗Alicja Ziarko↗Benjamin Eysenbach↗

arXiv:2602.05999v3 Announce Type: replace Abstract: How does the amount of compute available to a reinforcement learning (RL) policy affect its learning? Can policies using a fixed amount of parameters, still benefit from additional compute? The standard RL framework does not provide a language to answer these questions formally. Empirically, deep RL policies are often parameterized as neural networks with static architectures, conflating the amount of compute and the number of parameters. In this paper, we formalize compute bounded policies and prove that policies which use more compute can solve problems and generalize to longer-horizon tasks that are outside the scope of policies with less compute. Building on prior work in algorithmic learning and model-free planning, we propose a minimal architecture that can use a variable amount of compute. Our experiments complement our theory. On a set 31 different tasks spanning online and offline RL, we show that $(1)$ this architecture achieves stronger performance simply by using more compute, and $(2)$ stronger generalization on longer-horizon test tasks compared to standard feedforward networks or deep residual network using up to 5 times more parameters.

阅读与讨论 → 访问原文 →
21.
arXiv (CS.CL) 2026-06-18

From Sparse Features to Trustworthy Proxies: Certifying SAE-Based Interpretability

作者:
Dibyanayan Bandyopadhyay↗Asif Ekbal↗

Sparse autoencoders (SAEs) are increasingly used to extract interpretable features from language models (LMs), yet a central question remains: when can an SAE-based explanation be treated as a faithful view of an underlying frozen LM We study this through a post-hoc generalization framework that certifies the LM via a sparse proxy, obtained by replacing a native hidden activation with its pretrained SAE reconstruction. Our framework derives an upper bound on the base model's expected risk using four measurable quantities: proxy risk, SAE reconstruction gap, concept-pool mismatch, and sparse complexity. We interpret this certificate as an operational criterion for explanatory faithfulness. In particular, a non-vacuous bound indicates that the extracted sparse features retain meaningful predictive information, while small reconstruction and mismatch errors indicate that the proxy remains behaviorally close to the original model. Empirically, we show that the bound becomes non-vacuous on GPT-2 Small, Gemma-2B, and Llama-3-8B at practical sample sizes. A detailed layerwise analysis of Llama-3-8B reveals a strong depth dependence, with later layers becoming much easier to certify, associated with both stronger local fidelity and weaker downstream error amplification. Finally, through feature-shuffling ablations, we show that the decomposition distinguishes genuine semantic alignment from mere statistical sparsity, providing a useful diagnostic for when SAE-based explanations become less reliable.

阅读与讨论 → 访问原文 →
22.
arXiv (CS.CL) 2026-06-19

Group-Sparse Matrix Factorization for Transfer Learning of Word Embeddings

作者:
Kan Xu↗Xuanyi Zhao↗Hamsa Bastani↗Osbert Bastani↗

Unstructured text provides decision-makers with a rich data source in many domains, ranging from product reviews in retail to nursing notes in healthcare. To leverage this information, words are typically translated into word embeddings – vectors that encode the semantic relationships between words – through unsupervised learning algorithms such as matrix factorization. However, learning word embeddings from new domains with limited training data can be challenging, because the meaning/usage may be different in the new domain, e.g., the word ``positive'' typically has positive sentiment, but often has negative sentiment in medical notes since it may imply that a patient tested positive for a disease. In practice, we expect that only a small number of domain-specific words may have new meanings. We propose an intuitive two-stage estimator that exploits this structure via a group-sparse penalty to efficiently transfer learn domain-specific word embeddings by combining large-scale text corpora (such as Wikipedia) with limited domain-specific text data. We bound the generalization error of our transfer learning estimator, proving that it can achieve high accuracy with substantially less domain-specific data when only a small number of embeddings are altered between domains. Furthermore, we prove that all local minima identified by our nonconvex objective function are statistically indistinguishable from the global minimum under standard regularization conditions, implying that our estimator can be computed efficiently. Our results provide the first bounds on group-sparse matrix factorization, which may be of independent interest. We empirically evaluate our approach compared to state-of-the-art fine-tuning heuristics from natural language processing.

阅读与讨论 → 访问原文 →
23.
arXiv (CS.LG) 2026-06-12

Clustering Node Attributed Networks with Graph Neural Networks and Self Learning

作者:
Rodrigo de Sapienza Luna↗Daniel Ratton Figueiredo↗

arXiv:2606.13444v1 Announce Type: new Abstract: Graph clustering - partitioning the node set of a graph into disjoint subsets that reflect some latent information - is a fundamental problem as it finds applications in a myriad of different scenarios. While this classic problem has been tackled for decades by different communities, a recent variation of the problem driven by real data considers the scenario where nodes have attributes that are also informative. This has triggered novel methods that simultaneously leverage network information (edges) and node information (attributed) in the design of novel clustering algorithms. This work proposes a novel framework that builds on prior works that have applied graph neural networks (GNN) to graph clustering. The proposed framework operates in rounds of self learning in a fully unsupervised setting. In each round, a GNN generates representations for nodes that are used to cluster the nodes. This clustering influences the graph used to generate the node representation in the next round. Moreover, a context graph built in each round using the original graph is used to generate the node representations. Empirical results show that the proposed methodology extracts information from both network edges and node attributes in synthetic data, outperforming algorithms focused solely on the network or attributes when neither are very informative. Multiple rounds of learning also improve the performance and always outperforms a long single round of training (i.e., classic GNN graph clustering). When considering real datasets, empirical results indicate that the proposed methodology is competitive to state-of-the-art methods when cluster sizes are balanced.

阅读与讨论 → 访问原文 →
24.
bioRxiv (Bioinfo) 2026-06-11

Revealing trajectories of multi-modal voxel-level changes in neurodegenerative diseases using latent event mapping

作者:
Pinnawala↗Hartanto↗Jairamani↗Simpson↗I. J. A↗Wijeratne↗P. A↗

Neurodegenerative diseases are driven by pathological mechanisms that can be indirectly measured in vivo using multi-modal neuroimaging. However, current computational methods that aim to reconstruct trajectories of voxel-level changes in the brain are either not computationally scalable or fully interpretable, limiting their ability to reveal associations between disease progression and underlying mechanisms. Here we introduce Latent Event Mapping (LEMING), a generative unsupervised modelling technique that learns a latent map of disease events along a common pseudo-timeline of events. We apply LEMING to amyloid PET and structural MRI data from the Alzheimer's Disease Neuroimaging Initiative to reveal the first voxel-level trajectories of events in Alzheimer's disease. Notably, we show how LEMING can provide new insights into progression-dependent disease mechanisms. We find that acetylcholine receptor density is significantly positively associated with both late-stage amyloid and atrophy events, suggesting that either these receptors are targeted later in disease progression, or that amyloid does not play an active role. This has strong implications for therapeutics that target acetylcholine receptors, particularly for early-stage intervention strategies.

阅读与讨论 → 访问原文 →
25.
arXiv (CS.AI) 2026-06-17

Ternary Mamba: Grouped Quantization-Aware Training of W1.58A16 State Space Models

作者:
Ramprasath Ganesaraja↗Sahil Dilip Panse↗Swathika N↗

arXiv:2606.18114v1 Announce Type: cross Abstract: State Space Models (SSMs) such as Mamba-2 offer linear-time inference but their memory footprint limits edge deployment. Prior ternary SSM work (Slender-Mamba) trains from scratch on 150B tokens; we show a pretrained checkpoint suffices, reducing the marginal token budget by 1,000x. Using grouped quantization-aware training (QAT) with knowledge distillation from a frozen FP16 teacher, we compress Mamba-2 1.3B to 3.61x (2,687 to 744 MB) and achieve 48.1% zero-shot accuracy (7-task average) in just 102M tokens (4 GPU-hours, single H100) – approaching Bi-Mamba's 48.4% (within +/-0.9pp CI). This QAT-from-pretrained setting reveals zero-ratio collapse, a novel instability caused by learnable quantization scales that does not arise in from-scratch training. We further show that post-hoc correction strategies effective for Transformers fail for SSMs due to error accumulation through the recurrence. These results demonstrate that ternary SSMs do not require expensive from-scratch training: QAT from pretrained checkpoints with KD is a data-efficient alternative.

阅读与讨论 → 访问原文 →