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。

01.
arXiv (CS.AI) 2026-06-24

SP-Mind: An Autonomous Reasoning Agent for Spatial Proteomics Analysis

arXiv:2606.24235v1 Announce Type: new Abstract: Spatial proteomics enables single-cell-resolution characterization of protein expression within tissue architecture, playing a critical role in understanding tumor microenvironments and guiding precision medicine. However, current analysis workflows remain fragmented, requiring expert manual orchestration of heterogeneous tools and limiting research scalability and reproducibility. We present SP-Mind, the first autonomous AI agent designed to unify the spatial proteomics analysis pipeline, from raw multiplexed tissue imaging to downstream phenotype discovery. Equipped with expert-curated biological analysis skills and specialized computational tools, SP-Mind converts natural-language queries into end-to-end analytical workflows without task-specific fine-tuning. To rigorously evaluate its capabilities, we introduce SP-Bench, a comprehensive benchmark spanning diverse tissue types, comprising 102 tasks across 18 distinct categories. Through extensive evaluation on SP-Bench and established downstream tasks, SP-Mind achieves state-of-the-art performance compared to existing open-source biomedical agent baselines.

02.
arXiv (CS.CV) 2026-06-18

PorTEXTO: A European Portuguese Benchmark for Visual Text Extraction

European Portuguese (pt-PT) is largely absent from OCR benchmarks, which skew toward high-resource languages. The few benchmarks that cover pt-PT focus on historical artifacts and literature. This work addresses modern OCR applications, introducing PorTEXTO, the first benchmark for contemporary and culturally relevant pt-PT visual text extraction. To ascertain quality, we employ an annotation pipeline combining transcriptions from a frontier LVLM with exhaustive review by native speakers. We observe a sharp performance drop from synthetic to real world samples in most models, and find that, currently, specialized multilingual data is a better driver for pt-PT performance than model size or resolution budget, motivating the release of open pt-PT OCR resources.

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

On Local Population-Risk Certificates

作者:

arXiv:2606.19147v1 Announce Type: cross Abstract: This paper develops local certificates for population-risk increments around a current model. For a local candidate set \(\mathcal D\), the certificate is a two-sided confidence band for \(P({\ell_{\theta+v}-\ell_\theta})\) over \(v\in\mathcal D\). As an application, the upper endpoint of this band yields a risk-controlled update rule: an update is accepted only when its certified upper endpoint is nonpositive; otherwise the current model is retained.

04.
arXiv (CS.CV) 2026-06-12

Objects Before Words: Object-First Inductive Biases for Grounding Language in Child-View Video

Learning grounded word meaning from natural experience requires resolving two ambiguities in infant-view recordings: when the named referent appears and where it is in a cluttered frame. In SAYCam-style data, caregiver speech is sparse and weakly synchronized with egocentric video, so single-frame contrastive pairing yields noisy positives in which the intended object is absent or entangled with distractors. We propose BabyMind, an object-first bias for child-view contrastive learning under sparse, noisy supervision. BabyMind extracts candidate object embeddings using an offline mask-based region interface, links candidates across a short utterance-centered window into lightweight object files via tracking, and aligns utterances to bags of object files with a prototype-space multiple-instance contrastive objective. Track-coherence and global-object agreement regularizers stabilize learning and transfer object-file structure into the global frame embedding used at evaluation. On SAYCam-S, BabyMind improves Labeled-S 15 forced-choice accuracy by +2.6 points over CVCL and yields consistent gains on in-vocabulary out-of-distribution benchmarks. Code is available at https://github.com/sathiiii/BabyMind.

05.
arXiv (CS.CV) 2026-06-16

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

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

06.
arXiv (CS.CV) 2026-06-19

ReA-OVCD: Reliability-Aware Open-Vocabulary Change Detection via Semantic and Spatial Refinement

Unlike traditional remote sensing change detection that relies on predefined categories, Open-Vocabulary Change Detection (OVCD) identifies land cover changes flexibly using arbitrary text prompts. However, existing methods suffer from an inherent trade-off when modeling changes: instance-level comparison overlooks fine-grained semantic variations (e.g., partial building extensions), while direct pixel comparison proves unreliable, yielding unstable responses and boundary artifacts due to semantic ambiguity and spatial inconsistency. To this end, we propose an efficient training-free Reliability-Aware Open-Vocabulary Change Detection (ReA-OVCD) framework. It first derives candidate change regions from pixel-wise semantic discrepancies to ensure flexible and detailed localization. To ensure reliability, it subsequently introduces a collaborative refinement strategy to explicitly model change validity from both semantic and spatial perspectives. Specifically, we develop a Semantic Change Reasoning (SCR) module that reassesses changes by jointly analyzing distributional divergence and response variation, enabling the suppression of incidental inconsistencies while preserving reliable semantic shifts. In addition, a Boundary-aware Change Refinement (BCR) module is designed to mitigate artifacts stemming from boundary misalignment and uncertainty through validating whether candidate regions are supported by reliable interior pixels. Extensive experiments across multiple datasets (LEVIR-CD, WHU-CD, DSIFN, and SECOND) demonstrate that our method consistently outperforms state-of-the-art approaches, achieving $\mathrm{F}_{1}^{C}$ improvements of 2.13\% to 9.75\% with higher computational efficiency. The code is publicly available at \https://github.com/Funny0101/ReA-OVCD

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

DAL: A Practical Prior-Free Black-Box Framework for Piecewise Stationary Bandits

arXiv:2501.19401v5 Announce Type: replace Abstract: We introduce a practical, black-box framework termed Detection Augmented Learning (DAL) for the problem of piecewise stationary bandits without knowledge of the underlying non-stationarity. DAL accepts any stationary bandit algorithm with order-optimal regret as input and augments it with a change detector, enabling applicability to all common bandit variants. Extensive experimentation demonstrates that DAL consistently surpasses all state-of-the-art methods across diverse non-stationary scenarios, including synthetic benchmarks and real-world datasets, underscoring its versatility and scalability. We provide theoretical insights into DAL's strong empirical performance, complemented by thorough empirical validation.

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

Ensemble Learning for Large Language Models in Text and Code Generation: A Survey

Generative Pretrained Transformers (GPTs) are foundational Large Language Models (LLMs) for text generation. However, individual LLMs often produce inconsistent outputs and exhibit biases, limiting their representation of diverse language patterns. The closed-source nature of many powerful LLMs further restricts industry applications due to data privacy concerns. Inspired by successes in text generation, LLM ensemble techniques are now increasingly explored for code generation. This article reviews these emerging ensemble approaches to enhance understanding, encourage further research, and promote practical implementation in both text and code generation. We categorize LLM ensembles into seven main methods - weight merging, knowledge fusion, mixture-of-experts, reward ensemble, output ensemble, routing, and cascading - analyzing capabilities of those approaches. Our findings highlight key benefits such as improved diversity representation, enhanced output quality, and greater application flexibility. These insights aid model selection for real-world tasks and crucially, lay groundwork for extending ensemble strategies to multimodal LLMs.

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

Geometric Consistency Protocol for Foundation Model Features in Multi-View Satellite Imagery

Standardized evaluation protocols are indispensable for robust benchmarking in remote sensing, particularly as foundation features are increasingly transferred across diverse sensors and complex imaging geometries. In satellite multi-view reconstruction, conventional evaluations relying on unconstrained 2D global matching are often misleading. The Rational Function Model (RFM) and its Rational Polynomial Coefficients (RPC) dictate a curved, height-dependent epipolar geometry that render flat 2D search spaces physically inconsistent. We propose a geometry-faithful and reproducible protocol tailored for the RPC framework. Our approach integrates an RPC-projected 3D consistency metric with a geometry-constrained dense matching proxy, specifically evaluating whether similarity responses remain localized and unique under physically plausible search manifolds. A pivotal finding of our joint reporting strategy is the decoupling of semantic agreement and geometric localization: high cross-view similarity at a projected 3D point does not guarantee reliable matchability in practical inference. Our benchmark demonstrates that incorporating geometric constraints is fundamental to the problem definition in satellite imagery. Furthermore, we show that state-of-the-art 2D backbones remain remarkably competitive against specialized 3D-aware models when subjected to this RPC-consistent evaluation.

10.
arXiv (CS.CL) 2026-06-24

CORE-Bench: Fostering the Credibility of Published Research Through a Computational Reproducibility Agent Benchmark

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.

11.
arXiv (CS.CL) 2026-06-18

CoreMem: Riemannian Retrieval and Fisher-Guided Distillation for Long-Term Memory in Dialogue Agents

Personalized dialogue agents require continuous long-term memory to maintain coherent interactions across multiple sessions. However, deploying these capabilities on consumer-grade hardware (e.g., 8 GB VRAM edge devices) introduces severe memory and compute bottlenecks. Existing systems typically rely on isotropic cosine similarity for retrieval and heuristic rules for context compression. These approaches lack a unified theoretical foundation, frequently suffering from the hubness problem in high-dimensional retrieval and syntactic fragmentation during compression. To overcome these limitations, we propose CoreMem, a resource-efficient edge-cloud memory architecture fundamentally unified by information geometry. First, Riemannian retrieval replaces cosine matching with a locally adaptive Fisher-Rao metric, effectively penalizing hub memories via Mahalanobis distance with O(Ndr) Woodbury acceleration for real-time search. Second, Fisher-guided discrete token distillation (FDTD) introduces a hierarchical sentence-to-token compression mechanism. It derives sensitivity scores from Fisher information traces, providing a principled compression-KL tradeoff augmented with explicit structural syntax protection. Evaluated on the LOCOMO and LongMemEval-S benchmarks, CoreMem achieves strong accuracy improvements, yielding substantial gains in Open-domain (+4.51 pp) and Temporal (+4.17 pp) reasoning. Extensive profiling confirms that CoreMem operates seamlessly within a strict 8 GB VRAM budget, successfully bridging the gap between resource-constrained edge devices and the demand for theoretically grounded, lifelong memory agents.

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

Personal Care Utility: Health as Everyday Infrastructure

Healthcare is essential, expert, and episodic by design - built around the roughly one hour per year a person spends with a clinician. The 8,759 hours outside clinical settings, where eating, sleeping, movement, medication, and stress actually shape long-term health, have no comparable infrastructure. The bottleneck for personalized health is not raw data or reasoning capability; it is the absence of that infrastructure layer. This paper introduces the Personal Care Utility (PCU): a layered, event-driven architecture proposed as the missing utility for everyday health, in the way that payments, networks, and power are utilities for their domains. PCU organizes continuous personal signals into semantically meaningful life events through a Personicle, estimates dynamic health state against personal baselines, reasons about cause and context, and routes guidance through an orchestrator that separates clinical decision logic, behavioral strategy selection, and natural-language expression. This separation lets large language models support reasoning and communication while keeping safety-critical clinical decisions grounded in validated evidence. We instantiate PCU for Type 2 Diabetes - turning CGM, meal, activity, medication, sleep, stress, and clinical data into glycemic events, individualized state estimates, causal explanations, and knowledge-grounded interventions. A day-in-the-life scenario shows the same infrastructure producing real-time nudges, weekly summaries, medication check-ins, silence, or deterministic safety alerts depending on context and risk. We close with how PCU generalizes to other chronic conditions and the governance questions any always-on personal health utility must address. The result is a blueprint that treats personalization not as a final messaging layer, but as an architectural property of everyday health guidance.

13.
arXiv (CS.AI) 2026-06-12

Transformer Field Theory: A Response-Theoretic Approach to Mechanistic Interpretability

arXiv:2605.25225v2 Announce Type: replace-cross Abstract: Mechanistic interpretability often studies Transformer behavior by intervening on internal activations through activation patching, causal tracing, path patching, and steering directions. This paper develops Transformer Field Theory: a response-theoretic framework in which the residual stream of a fixed forward pass is treated as a Transformer field over layer depth and token position. In this formulation, patching becomes a localized source insertion into the Transformer field, first-order sensitivity fields predict patch effects, Green functions describe downstream propagation, and patch selection is posed as an adjoint inverse problem. Empirically, we test the theory's forward response objects in GPT-2-style autoregressive Transformers. Localized Transformer-field interventions exhibit a bounded local linear regime; first-order sensitivities predict patch effects across layer-token sites; localized sources generate structured anisotropic Transformer-field propagation; high-sensitivity sites and sliced Green operators provide reduced response descriptions; and prompt-induced Transformer-field displacements partially transfer answer behavior. These results establish sensitivities, Transformer-field responses, and sliced Green operators as practical objects for organizing patching experiments, while providing the forward mathematical basis for patch-site inference and cross-scale response transfer.

14.
arXiv (CS.LG) 2026-06-19

FlexLAM: Resolving the Bottleneck Trade-off in Latent Action Learning

arXiv:2606.19408v1 Announce Type: new Abstract: Latent actions provide a compact interface between action-free video and downstream decision-making, yet existing Latent Action Models (LAMs) force every transition through a fixed-capacity bottleneck. We identify a bottleneck trade-off: overly tight codes can discard transition cues needed for action alignment, while overly loose codes preserve additional transition variation that must be resolved when alignment labels are scarce or narrowly distributed. FlexLAM replaces this fixed capacity with variable-length latent actions trained by nested dropout, yielding prefix-valid codes that capture compact transition structure first and add detail only when needed, without new architectures or losses. A single FlexLAM matches or surpasses separately trained fixed-capacity LAMs at every evaluated token budget under standard scarce-label supervision and under a low-return single-task alignment stress test, indicating that FlexLAM is not merely adjustable at inference time but learns a better latent-action interface at the same token budgets. The same model supports inference-time token-budget adjustment without retraining, and FlexLAM improves Ego4D transition reconstruction. These results suggest that variable-length latent actions are an architecture-free, drop-in upgrade to the fixed-capacity bottleneck in latent action models, latent-action world models, and video-pretrained action interfaces.

15.
arXiv (CS.LG) 2026-06-18

Lifecycle-Aware Dynamic Analysis for Secure ML Model Execution

arXiv:2606.19023v1 Announce Type: cross Abstract: The growing reliance on pre-trained Machine Learning (ML) models has introduced new attack surfaces. Recent vulnerabilities demonstrate that malicious behavior can be embedded within model artifacts, often bypassing existing defenses. Current model-scanning solutions primarily rely on static, format-specific rules or known attack signatures, which limit their ability to generalize across frameworks and to detect novel exploitation paths. In contrast, we propose a solution that focuses on the effects an attack has on the host system executing the model and builds on foundational intuitions about ML model execution. In particular, we observe that ML models operate within well-defined lifecycle phases and that, within each phase, interactions with the host system are highly structured and predictable. We translate these intuitions into Moat, a dynamic lifecycle-aware approach for securing ML model execution, and instantiate this design in Re-Moat, our reference implementation. We evaluate Re-Moat across multiple ML frameworks using 77,974 real-world model artifacts from the Hugging Face Hub, 31 Proofs-of-Concept (PoCs) from CVEs, and 334 models from a state-of-the-art dataset, and compare it against state-of-the-art model-scanning solutions. Our results show that our approach detects all evaluated attack classes while maintaining a close-to-zero false-positive rate, validating our intuitions and motivating dynamic analysis for securing ML model execution.

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

Generative Molecular Design with Steerable and Granular Synthesizability Control

arXiv:2505.08774v2 Announce Type: replace-cross Abstract: Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and with flexibility to incorporate desired reaction constraints. On the other hand, virtual screening searches for commercially available compounds, but imposes challenges when scaling to ultra-large (billion-size and beyond) chemical spaces. Here, we propose a generative design framework that unifies synthesis-constrained molecular design and ultra-large-scale virtual screening through steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes satisfying mix-and-match constraints: including or avoiding certain reactions, incorporating specific building blocks, and minimizing synthesis route length. In an end-to-end in-house campaign targeting BRD4, we designed molecules synthesizable with specific selected reactions and building blocks, synthesized all six selected compounds, and identified two micromolar binders. We further demonstrate that reaction control enables efficient navigation of ultra-large make-on-demand chemical spaces to identify property-optimal candidates. By applying our framework to Chemspace's Freedom 4.0 make-on-demand space (142 billion molecules), we generated ~320k molecules (0.00023% of the library) on a single consumer-grade GPU (with only 8 GB GPU memory) and identified a micromolar Wee1 binder amongst 60 synthesized candidates. The single unified framework thus enables generating novel synthesizable molecules and retrieving catalogue-ready candidates, offering a flexible solution to mitigating the synthesizability bottleneck.

17.
arXiv (quant-ph) 2026-06-11

Dark state spectroscopy in nonlinear waveguide quantum electrodynamics

arXiv:2606.11997v1 Announce Type: new Abstract: Quantum systems face a fundamental trade-off: they must remain decoupled from the environment to maintain long coherence times, yet they require interactions with the environment to be accessible for measurement. As a prime example, emitter arrays coupled to waveguides facilitate collective modes that, owing to interference, can suppress radiation into the waveguide. While complete destructive interference creates perfectly dark states with infinite lifetimes, their inherent decoupling makes them unmeasurable in standard waveguide quantum electrodynamics. Consequently, current approaches must rely on system non-idealities that permit measurement but limit the coherence times. In this work, we lift this limitation by proposing the use of weakly squeezed light generated in \{chi}(2) nonlinear waveguides for the spectroscopy of completely dark states. We show that the fluorescence spectrum probes transitions between the dressed dark states of the emitter array. This work paves the way towards the measurement and control of dark states, with applications for robust quantum memories, computation, and communication.

18.
arXiv (CS.CL) 2026-06-15

Does the Judge Prefer English? Evaluating Language-Switching Invariance in LLM-as-a-Judge

作者:

Large language models (LLMs) are now widely used as automatic judges for open-ended instruction-following evaluation. This practice is convenient, scalable, and often more semantically aware than reference-based metrics, but it also introduces a new reliability question: does a judge evaluate the quality of an answer, or does it also react to the language in which the comparison is presented? We propose Judge-LS, a lightweight meta-evaluation protocol that transforms LLMBar response-pair items into English, Chinese, and Chinese-English language-switched variants. A reliable judge should preserve its preference under label-preserving language transformations and should not prefer a language when two answers are translation-equivalent. We evaluate four API-accessible judges on the full 419-item LLMBar benchmark, producing 13,408 successful pairwise judgments. Across models, Chinese and language-switched presentations induce 10.7–14.4% preference flips relative to English, and all judges achieve their highest accuracy in English. However, translation-equivalent tie probes do not reveal a systematic English preference: most probes are judged as ties, and non-tie decisions more often favor Chinese. We add confidence intervals, paired significance tests, and an automatic transformation audit with a sensitivity analysis that excludes mechanically flagged high-risk variants. The experiment requires no model training, uses only API calls, and is feasible on modest local hardware.

19.
arXiv (quant-ph) 2026-06-19

Matrix-product state skeletons in Onsager-integrable quantum chains

arXiv:2511.07212v2 Announce Type: replace Abstract: Matrix-product state (MPS) skeletons are connected networks of Hamiltonians with exact MPS ground states that underlie a phase diagram. Such skeletons have previously been found in classes of free-fermion models. For the translation-invariant BDI and AIII free-fermion classes, it has been shown that the underlying skeleton is dense, giving an analytic approach to MPS approximation of ground states anywhere in the class. In this paper, we partially expose the skeleton in certain interacting spin chains: the $N$-state Onsager-integrable chiral clock families. We construct MPS that form a dense MPS skeleton in the gapped regions surrounding a sequence of fixed-point Hamiltonians (the generators of the Onsager algebra). Outside these gapped regions, these MPS remain eigenstates, but no longer give the many-body ground state. Rather, they are ground states in particular sectors of the spectrum. Our methods also allow us to find further MPS eigenstates; these correspond to low-lying excited states within the aforementioned gapped regions. This set of MPS excited states goes beyond the previous analysis of ground states on the $N=2$ free-fermion MPS skeleton. As an application of our results, we find a closed form for the disorder parameter in a family of interacting models. Finally, we remark that many of our results use only the Onsager algebra and are not specific to the chiral clock model representation.

20.
arXiv (math.PR) 2026-06-18

A Unified Approach to Beta Moments, Combinatorial Identities, and Random Walks

arXiv:2605.05420v2 Announce Type: replace Abstract: The study of random walks has increasingly been popular across diverse disciplines such as statistics, mathematics, quantum physics, where they are used to model paths consisting of successive random steps in a mathematical space. A fundamental quantity of interest is the probability that a simple symmetric random walk returns to the origin after 2n steps. In this paper, we develop a unified probabilistic approach that connects the return probabilities in arbitrary dimensions with moment representations. Using this framework, we provide probabilistic proofs of several combinatorial identities involving beta and gamma functions, and derive new combinatorial identities in general dimensions.

21.
arXiv (CS.LG) 2026-06-24

Experiments with Optimal Model Trees

arXiv:2503.12902v4 Announce Type: replace Abstract: Model trees provide an appealing way to perform interpretable machine learning for both classification and regression problems. In contrast to ``classic'' decision trees with constant values in their leaves, model trees can use linear combinations of predictor variables in their leaf nodes to form predictions, which can help achieve higher accuracy and smaller trees. Typical algorithms for learning model trees from training data work in a greedy fashion, growing the tree in a top-down manner by recursively splitting the data into smaller and smaller subsets. Crucially, the selected splits are only locally optimal, potentially rendering the tree overly complex and less accurate than a tree whose structure is globally optimal for the training data. In this paper, we empirically investigate the effect of constructing globally optimal model trees for classification and regression with linear support vector machines at the leaf nodes. To this end, we present mixed-integer linear programming formulations to learn optimal trees, compute such trees for a large collection of benchmark data sets, and compare their performance against greedily grown model trees in terms of interpretability and accuracy. We also compare to classic optimal and greedily grown decision trees, random forests, and support vector machines. Our results show that optimal model trees can achieve competitive accuracy with very small trees. We also investigate the effect on the accuracy of replacing axis-parallel splits with multivariate ones, foregoing interpretability while potentially obtaining greater accuracy.

22.
arXiv (CS.LG) 2026-06-12

Uncertainty Estimation for Molecular Diffusion Models

arXiv:2606.13451v1 Announce Type: new Abstract: Diffusion models have seen wide adoption for 3D molecular generation, yet they offer no principled signal of when a generated molecule is likely to be of low quality. We propose a post-hoc method for estimating per-sample uncertainty in pretrained molecular diffusion models. Building on a Laplace approximation of the denoising network, we measure the variability of the noise prediction across the generation trajectory. Empirically, we show that the resulting uncertainty score is informative of sample quality, exhibiting a negative correlation with established sample-level quality metrics. We further study how the proposed uncertainty score can be used to filter generated samples, improving model performance via test-time scaling.

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

Evolutionary Bilevel Reward Shaping for Generalization in Reinforcement Learning

arXiv:2606.16236v1 Announce Type: new Abstract: Reinforcement learning (RL) often suffers from performance degradation when deployed in environments that differ from those encountered during training. Existing techniques such as domain randomization (DR) mitigate this, but require access to diverse training environments and full trajectory observability, assumptions that fail in privacy-preserving or restricted scenarios where only scalar performance metrics are available. We propose Generalization via Evolutionary Reward Shaping (GERS), a bilevel optimization approach to improve generalization on unseen test environments using only scalar feedback from validation environments. At the lower level, an RL agent guided via a reward function shaped by the upper level learns a policy on a limited set of training environments with accessible trajectory data; at the upper level, CMA-ES optimizes the reward shaping parameters to maximize the cumulative unshaped reward on separate validation environments for which trajectory access is unavailable. Results on continuous control tasks indicate that GERS outperforms the standard RL baseline on unseen test environments. GERS performance is comparable to DR, despite DR treating the combined set of training and validation environments of GERS as a single training set that requires trajectory access, whereas GERS cannot access validation trajectories. These results confirm that GERS effectively enhances generalization under restricted data access constraints.

24.
medRxiv (Medicine) 2026-06-15

Excitation-Inhibition Balance in Schizophrenia Spectrum Disorders: EEG Criticality Reflects Frontal Metabolites and a Potential Compensatory Mechanism

Background The excitation-inhibition (E-I) balance is essential for normal brain functioning, while deviations from this balance have been implicated in several psychiatric disorders. However, the extent to which electroencephalography (EEG) and proton magnetic resonance spectroscopy (1H-MRS) E-I markers are altered in schizophrenia spectrum disorders (SSD), how they converge across modalities, and how they relate to cognitive performance and clinical symptoms remain insufficiently characterized. Methods We recruited 111 healthy controls (HC) and 113 individuals with SSD. All participants underwent resting-state EEG and 1H-MRS. Metabolites were measured either in the anterior cingulate cortex (ACC; NSSD = 63, NHC = 58) or in the left dorsolateral prefrontal cortex (lDLPFC; NSSD = 50, NHC = 53), from which gamma-aminobutyric acid (GABA), glutamate + glutamine (Glx), and the Glx/GABA ratio were extracted. Extracted EEG E-I markers included oscillatory activity, aperiodic activity, functional E-I, microstates, multiscale entropy, and neuronal avalanche criticality. Results MRS results showed no group differences in GABA, Glx, or the Glx/GABA ratio. In contrast, most EEG-derived E-I markers indicated increased cortical inhibition in SSD, including steeper aperiodic exponents, prolonged microstate durations, and greater prevalence of subcritical states. However, functional E-I showed a divergent pattern, suggesting balanced dynamics in SSD and relatively inhibition-weighted dynamics in HC. Across groups, higher ACC and lDLPFC GABA predicted a lower kappa index, whereas a higher lDLPFC Glx/GABA ratio was associated with a higher kappa index. In SSD, reduced avalanche criticality was associated with better cognition and less severe symptoms. Conclusion Several EEG-derived E-I proxies, but not MRS measures, indicate an increased cortical inhibition in SSD. Criticality indices best capture frontal neurochemical metabolites and improvements in clinical symptoms, potentially reflecting inhibitory compensation mechanisms in SSD.

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

Ensemble Feature Selection and Harris Hawks Optimization for Explainable Mental Health Risk Prediction in Female Sex Workers

arXiv:2606.24047v1 Announce Type: new Abstract: One of the significant mental health issues affecting female sex workers (FSWs) is mental disorders, especially depression. Exposure to violence, stigma, and economic hardship further increases their psychological risk. Current machine learning (ML) models are typically ineffective at capturing the high-dimensional and complex risk patterns that exist in this marginalized group. This paper suggests a hybrid predictive model that merges an ensemble feature selection strategy using ANOVA and mutual information and Harris Hawks optimization-tuned logistic regression and represents a new application of swarm intelligence to predict mental health in vulnerable groups. The explainable AI (XAI) methods can be used to understand the factors of trauma associated with model predictions. When applied to a group of 3,005 FSWs, it can be seen that the proposed model is more effective than traditional classifiers, with an accuracy of 95.78%, an F1 score of 95.77%, and an AUC of 0.96, and identifying post-traumatic stress, client-related violence, and occupational factors as major contributors to depression. This work bridges the gaps between conventional and ML approaches to develop an XAI tool that enables vulnerable groups to receive early assistance, evidence-based targeted psychosocial care, and health planning.