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.CL) 2026-06-16

LLM-Powered Virtual Population for Demand Simulation and Pricing

We develop an LLM-powered virtual population model that simulates demand for pricing decisions, in settings where products are described by rich unstructured information, such as text descriptions and images, and where decision makers need not only mean-demand predictions but also uncertainty estimates for counterfactual prices. Our model represents exposed customers as draws from a finite mixture of customer personas. For each persona, product, and candidate price, an LLM elicits a persona-level purchase probability using both structured persona information and unstructured product information. These probabilities are aggregated through calibrated mixture weights to form a predictive distribution of aggregate demand. The resulting simulator can evaluate counterfactual prices under various pricing objectives, including expected revenue and risk-aware criteria such as conditional value at risk. We test the framework on an online H&M fashion dataset with product descriptions and images. The calibrated LLM-based simulator achieves the best overall predictive performance among the models considered, and supports sample-efficient pricing decisions. Our framework provides a practical way to use LLMs as demand simulators for products with limited historical demand data but rich product information. By producing a full predictive demand distribution rather than only a point forecast, it enables managers to compare candidate prices, quantify demand uncertainty, and choose prices that target either average-case revenue or risk-aware objectives.

02.
arXiv (CS.LG) 2026-06-16

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

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.

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

TxBench-PP: Analyzing AI Agent Performance on Small-Molecule Preclinical Pharmacology

arXiv:2606.19245v1 Announce Type: new Abstract: Artificial intelligence (AI) agents promise to accelerate drug discovery by compressing interpretation and decision-making loops, but practical deployment requires trusted evaluation on realistic program decisions. We introduce TherapeuticsBench Preclinical Pharmacology (TxBench-PP), a verifiable benchmark for small-molecule preclinical pharmacology and the first focused slice of a broader TherapeuticsBench effort across drug-discovery stages and therapeutic modalities. TxBench-PP tests whether agents can recover accurate conclusions from real-world assay data rather than memorized facts from literature. The benchmark contains 100 evaluations indexed by program stage, assay type, and task structure, spanning mechanism-of-action (MoA) and pharmacodynamic (PD) reasoning, compound-target engagement, causal target validation, developability and safety, and translational efficacy. Agents receive realistic workflow snapshots, inspect files in a coding environment, and return structured answers graded deterministically. Across 16 model-harness configurations, comprising 11 models and 4,800 trajectories, no system reliably recovered preclinical pharmacology decisions. The strongest configuration, Claude Opus 4.8 / Pi, passed 59.3\% of endpoint attempts (178/300; 95\% CI, 51.1-67.6), followed by GPT-5.5 / Pi at 55.3\% (166/300; 47.0-63.6).

04.
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.

05.
arXiv (CS.CV) 2026-06-15

HPSv3++: Scaling Reward Models Across the Full Spectrum of Diffusion Model Capabilities

Reward models guide text-to-image (T2I) systems toward outputs aligned with human preferences. However, typical reward models such as HPSv3 are trained on pre-annotated data from earlier T2I models, without accounting for quality discriminative shifts arising from evolving model capabilities and reinforcement learning (RL) iterations, limiting their broader applicability. In this work, we propose HPSv3++, a reward model framework that elevates the HPSv3 model for varying T2I model capabilities and their RL iteration changes across the full capability-iteration spectrum. Specifically, we first introduce HPDv3++, a 212K dual-dimension preference dataset annotated for text fidelity and aesthetic quality using a recent high-capability (Qwen-Image) model with human supervision. We then propose a two-stage training framework. Stage 1 employs data-aware orthogonal gradient projection to incorporate diverse aesthetic perception from HPDv3++ while preserving the original effective human preference knowledge in HPSv3. Stage 2 further leverages unlabeled data from T2I models spanning different capability levels and RL iterations, and introduces a joint capability-iterations conditioned signal for the reward model together with a standard deviation-driven unsupervised guidance mechanism, strengthening reward model across the capability-iteration spectrum. HPSv3++ achieves state-of-the-art preference prediction, outperforming HPSv3 9.8% on HPDv3, 5.5% on GenAI-Bench, while achieving 79.1%/88.1% on our proposed HPDv3++. When used for T2I RL training, it consistently improves GenEval scores across diverse T2I models, demonstrating its wide-range capabilities. The code is available at https://github.com/PlantPotatoOnMoon/HPSv3-PlusPlus.

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

A Mathematical Forum Platform for Collaborative Problem Solving and Dataset Generation for AI Reasoning

arXiv:2606.12976v1 Announce Type: new Abstract: Sharing mathematical content in online forums remains a significant friction point for students and educators: writing raw LATEX is error-prone, standalone optical character recognition tools require platform switching, and current forum software offers no integrated path from a photograph of a formula to a rendered post. We present a unified system that eliminates this friction by embedding an image to LATEX conversion pipeline directly inside a forum posting interface. A user uploads or captures an image of a mathematical expression; the system routes it through the Mathpix OCR API, detects whether the returned output is LATEX or plain text containing inline math, applies the appropriate delimiter normalisation, and renders a live preview in either LATEX or Markdown mode before the post is committed to the database. The architecture is organized in three loosely coupled layers: image processing, rendering, and storage, and supports both desktop and mobile clients. A provisional US patent application has been filed covering the core methods. We describe the full system design, each component in detail, the data schema, and the key technical innovations, and we position the work against existing standalone tools and forum platforms to demonstrate the practical gap it closes. Beyond immediate usability, we argue that a deployed platform of this kind constitutes a continuously growing, community-validated dataset of mathematical problems and step-by-step solutions, a resource that can be used to train and benchmark AI systems for accurate mathematical reasoning

07.
bioRxiv (Bioinfo) 2026-06-16

THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication

Natural products remain one of the most productive sources of pharmacologically active compounds for drug discovery, yet the current open aggregator landscape attributes licenses at database rather than compound granularity, with consequences that have become tangible as the field grows. A recent relicensing event in one constituent source (the September 2024 transition of the Natural Products Atlas to CC BY-NC 4.0) demonstrates how database-level licensing propagates across an aggregate and motivates the per-compound audit framework presented here. The same peer cohort separately leaves classification provenance and stereoisomer-family relations coarser than either layer warrants. THEOBROMA, accessible at url{https://theobroma.l3s.uni-hannover.de}, integrates 1{,}133{,}004 natural products from 29 open sources under a per-compound license audit that resolves each compound's license tier across all attesting sources under a most-restrictive-wins rule, identifying 900{,}170 compounds (79.4%) under open-use licenses and exposing the per-source attestation chain and resolved tier through a dedicated audit endpoint and a query-time license filter. A three-tier classification stratifies 89.3% coverage into 35.1% curated, 43.9% high-confidence inferred, and 10.3% exploratory tiers, with 486{,}215 stereoisomer families preserved by full 27-character InChIKey deduplication and exposed via a dedicated texttt{/api/stereoisomers/} endpoint and a radial-family display. Per-compound license provenance is the primary differentiator. Classification stratification and stereoisomer-family exposure add finer-grained access to two related axes, supporting license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale. As an evolving open resource, THEOBROMA pairs continuous pipeline maintenance with interactive geographic, taxonomic, and chemical-space exploration.

08.
arXiv (quant-ph) 2026-06-11

Quantum ergodicity and semiclassical measures: mathematical results

arXiv:2606.12098v1 Announce Type: new Abstract: In this chapter we review some results describing the high-frequency eigenmodes of the Laplacian on compact manifolds, or Euclidean domains, for which the geodesic flow is chaotic. We focus on the macroscopic distribution of these eigenmodes, which is described by the concept of semiclassical measure. The main result on the question is the Quantum Ergodicity theorem, originally due to Schnirelman. We provide the detailed proof of this theorem, including the adjustments necessary to treat the case of manifolds with boundary. We also discuss the Quantum Unique Ergodicity conjecture, and some progress towards this conjecture for strongly chaotic (Anosov) systems. In particular, we describe the constraints on admissible semiclassical measures, in terms of their Kolmogorov-Sinai entropy, as well as more recent delocalization results.

09.
arXiv (CS.AI) 2026-06-16

Semantics-Enhanced Retrieval-Augmented Time Series Forecasting

arXiv:2606.14941v1 Announce Type: new Abstract: Time series forecasting models often benefit from historical patterns. Inspired by Retrieval-Augmented Generation (RAG), recent research explored retrieving relevant historical time series segments to enhance forecasting. However, relying solely on time series similarity is often insufficient for retrieval under non-stationarity. To address this, we propose a multimodal approach: a Semantics-Enhanced Retrieval-Augmented Time Series Forecasting framework, SERAF. Unlike mainstream approaches that depend only on time series similarity, SERAF conducts dual retrieval over the time series and their self-generated textual descriptions. It retrieves two complementary sets of historical patterns and corresponding futures, which are selectively and jointly used to guide future predictions. Experiments across seven real-world datasets demonstrate the effectiveness of SERAF in bridging numerical and semantic views of time series compared with state-of-the-art baselines.

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

A Multi-level Analysis of Factors Associated with Student Performance: A Machine Learning Approach to the SAEB Microdata

arXiv:2510.22266v3 Announce Type: replace-cross Abstract: Identifying the factors that influence student performance in basic education is a central challenge for formulating effective public policies in Brazil. This study introduces a multi-level machine learning approach to classify the proficiency of 9th-grade and high school students using microdata from the System of Assessment of Basic Education (SAEB). Our model uniquely integrates four data sources: student socioeconomic characteristics, teacher professional profiles, school indicators, and principal management profiles. A comparative analysis of four ensemble algorithms confirmed the superiority of a Random Forest model, which achieved 90.2% accuracy and an Area Under the Curve (AUC) of 96.7%. To move beyond prediction, we applied Explainable AI (XAI) using SHAP, which revealed that the school's average socioeconomic level is the most dominant predictor, demonstrating that systemic factors have a greater impact than individual characteristics in isolation. The primary conclusion is that academic performance is a systemic phenomenon deeply tied to the school's ecosystem. This study provides a data-driven, interpretable tool to inform policies aimed at promoting educational equity by addressing disparities between schools.

11.
arXiv (CS.CV) 2026-06-17

Gaussian Light Field Splatting: A Physical Prior-Driven Vision Transformer for Unsupervised Low-Light Image Enhancement

Existing unsupervised low-light image enhancement methods often encounter local exposure imbalance and color distortion under complex non-uniform illumination. In addition, most Vision Transformers lack an explicit mechanism for modeling the physical priors of illumination degradation. To address these limitations, we propose GLFS, a Gaussian light field splatting-based Vision Transformer that integrates continuous physical illumination modeling from Gaussian splatting into the Transformer architecture. In GLFS, scene illumination is represented by a superposition of anisotropic Gaussian basis functions. Physics-guided biases are introduced into self-attention to adaptively infer a spatial gain field, enabling accurate and uniform restoration under complex illumination. To reduce color bias and structural degradation during enhancement, a color-vector angular loss and a luminance-edge loss are further developed. These losses enforce hue consistency and improve the structural fidelity of local details. Extensive ablation studies and quantitative evaluations show that GLFS provides clear advantages in illumination correction and detail preservation. It achieves state-of-the-art performance and offers a new representation paradigm for low-light image enhancement.

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

A Theory of Training Profit-Optimal LLMs

arXiv:2605.16430v3 Announce Type: replace-cross Abstract: Scaling LLMs requires tremendous computational resources, and recent advances in AI have gone hand in hand with massive amounts of capital expenditure. While it is established that scaling up LLMs reliably increases model quality (quantified in terms of loss or downstream evaluations), it is unclear how these quality improvements translate to potential revenue, and whether revenue increases would offset costs of larger-scale training and inference. In this work, we develop an economic model for characterizing the rational behavior of an LLM training firm by combining scaling laws with microeconomic theory. Under our model of firm behavior, LLM quality can be increased with more parameters and training tokens, leading to more potential adoption by consumers, who each have a quality threshold for using the LLM. On the other hand, additional parameters and training tokens both incur additional costs. We analyze the profit maximization problem for this model under compute-bound and data-bound regimes. In the compute-bound regime, optimal model size and token budget track hardware efficiency $E$ (FLOPs/\$) at a near-linear rate; total training cost then scales sub-quadratically in $E$. Data efficiency improvements incentivize larger models and training expenditure. When we are limited to $D$ data, profit-optimal training expenditure scales as $D^2/E$, i.e, increase with data and decreases with hardware efficiency (as well as data efficiency). Finally, we analyze practical trends in training expenditure: current trends are consistent with our most permissive model variants in the compute-bound regime, but are not profit-optimal in the data-bound regime or assuming hardware advances will stall. Overall, our results provide a theory of profit-optimal LLM training, providing a foundation for engaging critically with industry statements and supporting long-term economic decision making.

13.
medRxiv (Medicine) 2026-06-16

Diurnal variation in brain-derived tau and five other blood-based biomarkers for dementia and their association with cognitive performance

Blood-based biomarkers of dementia are a promising scalable tool for early diagnosis, tracking disease progression, and evaluating therapeutic efficacy. Utility of these biomarkers will not only be dependent on the reliability of their association with pathology but also contingent on their ability to track cognitive status. Previously, we demonstrated diurnal variation in several biomarkers (amyloid beta (A{beta}) 42 and 40, 42/40 ratio, glial fibrillary acidic protein (GFAP), neurofilament light (NfL), and phosphorylated-Tau 217 (p-Tau217)) which has implications for their reliability. Here, we extend these observations to a larger cohort, include brain-derived tau (BD-Tau), which is assumed to be produced exclusively in the brain, and report endocrine measures of circadian rhythmicity. We not only assessed whether these biomarkers vary with time of day, but also whether they associate with daytime function and whether these associations vary with cognitive domain and number of repeated assessments. Data collected in 20 PLWA (72.4{+/-}5.9 years, mean{+/-}SD) and 19 controls (68.9{+/-}9.8 years) were analysed. Participants completed 14 days of home monitoring and one laboratory assessment of sleep and daytime function: mood, daytime sleepiness, reaction time, immediate and delayed memory recall, everyday memory errors. During the 27-hour residential laboratory session, 3-hourly blood samples were collected and analysed for the six blood-based biomarkers of dementia as well as melatonin and cortisol. Rhythmicity of melatonin and cortisol did not differ between groups. P-Tau217 and GFAP (p

14.
arXiv (quant-ph) 2026-06-11

Dissociative recombination and ion-pair formation in $\mathrm{HeH^+}$ isotopologues: A time-dependent wave-packet study including rotational coupling

arXiv:2606.11352v1 Announce Type: cross Abstract: We present a comprehensive theoretical investigation of dissociative recombination (DR) and resonant ion-pair (RIP) formation in $\mathrm{HeH^+}$ isotopologues using time-dependent wave-packet propagation methods. Nuclear dynamics are treated on a set of 23 coupled electronic states, including $^2\Sigma$, $^2\Pi$, and $^2\Delta$ symmetries, in both adiabatic and strictly diabatic representations, with rotational couplings explicitly included. Reaction cross sections are computed over collision energies ranging from 0 to 50 eV. The results reveal that inclusion of a large manifold of resonant states and rotational couplings significantly enhances the DR cross section relative to earlier theoretical studies. In the diabatic representation, $^2\Sigma$ states dominate the recombination dynamics, while in the adiabatic representation, $^2\Pi$ and $^2\Delta$ states contribute significantly at low collision energies. For RIP formation, two different diabatization schemes yield systematically larger cross sections than previous models, highlighting the sensitivity of ion-pair production to electronic coupling structure. Isotopic effects are examined, showing a clear inverse dependence of cross section magnitude on reduced mass. The present results underscore the importance of multi-state coupling and nonadiabatic effects in accurately describing electron-molecule collision processes in primordial and astrophysical plasmas.

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

InstantForget: Update-Free Backdoor Unlearning with Inference-Time Feature Reset

作者:

arXiv:2606.15730v1 Announce Type: cross Abstract: Backdoor unlearning aims to remove a malicious trigger behavior from a deployed model while preserving clean utility. We study the update-free inference-time setting, where model parameters remain frozen. First, we audit a common projection assumption under oracle paired clean and triggered features. Projection succeeds mainly on BadNets and leaves WaNet, Blended, and SIG at 0.683, 0.888, and 0.941 ASR on CIFAR-10 ResNet-18. This failure is not explained by spectral compactness, spatial locality, or subspace misalignment. It is predicted by a logit-triplet gap involving the target margin, target-logit drop, and non-target logit rise. We then introduce InstantForget, a clean-calibrated gated reset that flags anomalous features with a Mahalanobis score and moves only flagged features toward a neutral non-target representation. With one fixed operating point selected on held-out triggered validation, InstantForget reduces average ASR to 0.071 across four non-adaptive CIFAR-10 triggers without triggered samples or parameter updates at deployment. It also reaches 0.981 detection AUROC and transfers to six of eight tested backbones. Reported failures under WaNet, ModelNet10 point blend, two backbone geometries, and adaptive feature-compactness attacks define the method's scope.

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

Functional Equivalence in Attention: A Comprehensive Study with Applications to Linear Mode Connectivity

arXiv:2606.17830v1 Announce Type: cross Abstract: Neural network parameter spaces are inherently non-injective, as distinct parameter configurations can realize identical functions through functional equivalence. While this symmetry is well understood in classical fully connected and convolutional models, it becomes substantially more intricate in modern attention-based architectures. Existing analyses of multihead attention have largely focused on the vanilla formulation, overlooking positional encodings that fundamentally reshape architectural symmetries. In this work, we provide a formal study of functional equivalence in Transformers with positional encodings. Focusing on the two most widely used variants–sinusoidal and rotary positional encodings (RoPE)–we show that sinusoidal encodings preserve the equivalence structure of vanilla attention, whereas rotary encodings significantly reduce the symmetry group, thereby enhancing expressivity. This offers a principled explanation for the growing prominence of RoPE in practice. We further examine how positional encodings affect linear mode connectivity, and through an alignment algorithm, empirically demonstrate that the presence and variability of connectivity across Transformer settings crucially depend on the positional encoding.

17.
arXiv (CS.AI) 2026-06-11

Automating Geometry-Intensive Compliance Checking in BIM: Graph-Based Semantic Reasoning Framework

arXiv:2606.12065v1 Announce Type: new Abstract: Automating compliance check for geometry-intensive regulations remains a significant technical bottleneck in Building Information Modeling (BIM), primarily due to the semantic disparity between high-level regulatory logic and structured IFC data. Existing methods, often reliant on static rule templates, struggle to traverse multi-hop reasoning chains or resolve latent spatial dependencies across multiple building entities. To address these challenges, a Spatial-Geometric Reasoning System for Building Information Modeling (SGR-BIM) is proposed as an integrative graph-driven reasoning framework. SGR-BIM dynamically constructs a cross-modal knowledge graph that aligns user intent, regulatory semantics, and BIM geometry, enabling interpretable reasoning without rigid hard-coding. Validated on 679 expert-verified queries from fire safety codes, the framework achieves 84.3% accuracy, representing an 8.6% improvement over enhanced-tool single-agent baselines. This research provides a graph-based semantic reasoning paradigm, enhancing the transparency and flexibility of automated geometric compliance check workflows in the Architecture, Engineering, and Construction (AEC) industry.

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

Chronological Thinking in Full-Duplex Spoken Dialogue Language Models

Recent advances in spoken dialogue language models (SDLMs) reflect growing interest in shifting from turn-based to full-duplex systems, where the models continuously perceive user speech streams while generating responses. This simultaneous listening and speaking design enables real-time interaction and the agent can handle dynamic conversational behaviors like user barge-in. However, during the listening phase, existing systems keep the agent idle by repeatedly predicting the silence token, which departs from human behavior: we usually engage in lightweight thinking during conversation rather than remaining absent-minded. Inspired by this, we propose Chronological Thinking, an on-the-fly conversational thinking mechanism that aims to improve response quality in full-duplex SDLMs. Specifically, chronological thinking presents a paradigm shift from conventional LLM thinking approaches, such as Chain-of-Thought, purpose-built for streaming acoustic input. (1) Strictly causal: the agent reasons incrementally while listening, updating internal hypotheses only from past audio with no lookahead. (2) No additional latency: reasoning is amortized during the listening window; once the user stops speaking, the agent halts thinking and begins speaking without further delay. Experiments demonstrate the effectiveness of chronological thinking through both objective metrics and human evaluations show consistent improvements in response quality. Furthermore, chronological thinking robustly handles conversational dynamics and attains competitive performance on full-duplex interaction metrics.

19.
arXiv (CS.CL) 2026-06-12

Rethinking Psychometric Evaluation of LLMs: When and Why Self-Reports Predict Behavior

Anticipating LLM behavioral tendencies from low-cost psychometric probes is critical for safe deployment, but only if self-reports (SR) reliably predict behavior. Recent work documented substantial SR-behavior dissociation in LLMs, but relied on broad personality traits (Big 5) that predict specific behaviors weakly, even in humans. Furthermore, the isolation of conversational sessions combined with weak context matching left open whether LLMs truly lack coherence or whether the conditions needed to detect such coherence were not met. We contrast Big 5 with the Theory of Planned Behavior (TPB), which measures intention targeted to a specific behavior and predicts human behavior substantially better than broad traits. We run experiments across four behavioral tasks and 11 frontier LLMs, while also varying session context and identity induction. We find that SR-behavior coherence exists but is selective. 1) Within a shared conversation, the Theory of Planned Behavior reaches human-level coherence; Big 5 does not. 2) Across separate conversations, coherence survives only for behaviors anchored outside the immediate prompt, such as implicit bias shaped by training, and collapses when behavior is strongly primed by context, as with sycophancy. 3) Persona prompting makes self-reports more consistent across conversations, but does not bring behavior into alignment. These findings suggest that coarse personality frameworks, such as Big 5 may not be the best tools for testing deployment behavior. More task- and behavior-specific instruments are needed, and even these must be evaluated across tasks and contexts.

20.
arXiv (quant-ph) 2026-06-12

Beyond-Third-Order Quantum Coherence in Two-Dimensional Spectroscopy via Order-Selective Isolation

arXiv:2606.12794v1 Announce Type: new Abstract: A central challenge in nonlinear spectroscopy is the order-selective readout of weak higher-order responses that spectrally overlap with dominant lower-order signals. This bottleneck is particularly severe in two-dimensional (2D) spectroscopy, where extending conventional phase-cycling schemes to higher orders rapidly increases measurement and analysis complexity. Here we introduce a computation-assisted strategy that combines rotating-frame acquisition with a frame-shift tracking algorithm to separate signals by their frame-dependent spectral shifts. In a rubidium vapor experiment, we use this approach to isolate a 7th-order nonlinear contribution from coexisting 3rd-order components, enabling direct access to higher-order quantum-coherence dynamics without sacrificing operation at comparatively high pulse intensities. The method is broadly compatible with multidimensional spectroscopy platforms and provides a practical route to probing many-body and collective ultrafast dynamics beyond third order.

21.
medRxiv (Medicine) 2026-06-16

MRMU: A New Paradigm for Mendelian Randomization by Accounting for Measured Covariates and Unmeasured Confounders

Mendelian randomization (MR) is a powerful approach for causal inference, however, its reliability is frequently compromised by unadjusted covariates and unmeasured confounders, such as unmeasured pleiotropy and sample structure. To address these challenges, we introduce MRMU, a novel paradigm for the MR framework. Unlike traditional single-variable or multivariable MR methods, MRMU selects instrumental variables only from the exposure of interest and estimates one exposure effect at a time, while jointly accounting for measured covariates and unmeasured confounders. This design improves the reliability of MR analyses. In simulations and real data, MRMU achieved better type I error control, higher statistical power, and more accurate effect estimation than existing MR methods. Applying to coronary artery disease (CAD), MRMU identified robust cardiometabolic risk factors, including LDL-C, APOB, systolic blood pressure, body mass index, and smoking initiation, with consistent evidence across multiple CAD datasets. In contrast, traits such as HDL-C, height, and educational attainment, which were found to be significant by existing MR methods, were no longer supported by MRMU. MRMU further supported blood pressure-related traits, rather than lipid traits, as the more relevant pathway linking urate to CAD. Finally, by integrating large-scale plasma proteomics data, MRMU identified candidate CAD drug targets beyond established HMGCR- and PCSK9-related pathways, highlighting its utility for therapeutic target prioritization.

22.
arXiv (quant-ph) 2026-06-11

Fisher geometry reshapes the effect of incompatibility in multiparameter quantum estimation

arXiv:2606.11343v1 Announce Type: new Abstract: Multiparameter quantum estimation faces two fundamental obstacles: sloppiness, i.e., anisotropy of the quantum Fisher information matrix (QFIM) that renders some parameter directions insensitive, and incompatibility, the non-commutativity of optimal measurements for different parameters. The trade-off bound $C_T$ captures their joint impact on precision, but it has remained unclear how the distribution of incompatibility across parameter planes affects its overall cost. Here we separate the total amount of incompatibility from its location. We introduce a dimensionless quantity $G_n^{(F)}$ that measures the alignment between the incompatibility distribution and the eigenvalues of the QFIM, and show how the Frobenius scale of the incompatibility contribution factorizes. We obtain a bound and prove the incompatibility cost lies between this bound and a rank-dependent multiple thereof. We also prove that at fixed sloppiness, or equivalently fixed Fisher volume, concentrating incompatibility into a single parameter plane reduces the optimized trade-off cost because the Fisher geometry can then be reshaped to allocate more Fisher area to that plane. A qutrit $SU(2)$ encoding numerically confirms that states with larger incompatibility strength can nevertheless incur a smaller cost if the matching factor $G$ is sufficiently small. Our results establish that the distribution of incompatibility relative to the Fisher eigenbasis is a central diagnostic for multiparameter estimation, beyond the total incompatibility strength.

23.
arXiv (CS.LG) 2026-06-11

My Chemical Harness: Evolutionary Molecular Design over Synthetic Pathways with Large Language Model Agents

arXiv:2606.11256v1 Announce Type: cross Abstract: Designing molecules with target properties is most useful when candidate structures are accompanied by feasible synthetic routes. We introduce My Chemical Harness, a route-native evolutionary framework for goal-directed molecular design in which the search population consists of executable synthetic pathways rather than isolated molecular graphs. Each route is built from purchasable building blocks and reaction templates, executed by deterministic chemistry tools, and scored through task-specific molecular oracles. Large language models (LLMs) are used only as strategy controllers that select high-level preferences over route length, move type, reaction families, motifs, and exploration pressure, while local code performs route construction, validation, deduplication, scoring, selection, and memory updates. This separation lets the LLM guide exploration without allowing it to introduce hallucinated products or unsupported reaction steps. On a soluble epoxide hydrolase proxy task, our LLM agent improves over single pass LLM and deterministic controllers, reaching state-of-the-art performance across the sEH score, synthetic accessibility score, and AiZynthFinder success rate metrics. These results suggest that constrained LLM agents can play a significant role in molecular discovery without requiring training, fine-tuning, or dedicated generative models.

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

Momentum-Guided Semantic Forecasting (MoFore) for Self-Supervised Video Representation Learning

作者:

Self-supervised video representation learning has recently advanced through contrastive learning, masked reconstruction, and predictive representation learning. Reconstruction-based approaches such as MAE and VideoMAE learn representations by recovering masked visual content [he2022mae,tong2022videomae], while contrastive methods such as CLIP learn semantically meaningful embedding spaces through representation alignment [radford2021clip]. In this work, we introduce a Momentum-Guided Semantic Forecasting framework (MoFore) for self-supervised video representation learning. Instead of optimizing for pixel-level reconstruction or task-specific semantic alignment, the proposed method learns temporally predictive video representations by forecasting future latent embeddings from temporally distant context clips. To improve robustness across temporal scales, we further introduce randomized temporal-gap forecasting during training. The framework combines predictive latent forecasting with contrastive regularization to encourage temporal consistency while preventing representation collapse. Experiments on the UCF101 dataset demonstrate that the proposed framework learns temporally consistent and semantically meaningful video representations without using action labels during training. Quantitative analysis shows strong temporal stability and emergent category-level structure in the learned embedding space, while qualitative retrieval experiments reveal motion-aware organization across related activities. Overall, the results suggest that long-range latent forecasting provides an effective and computationally efficient approach for self-supervised video representation learning without relying on reconstruction-based objectives.

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

DF-ExpEnse: Diffusion Filtered Exploration for Sample Efficient Finetuning

arXiv:2606.19656v1 Announce Type: cross Abstract: A natural recipe for intelligent robotic decision-making is initializing from pretrained generative control policies, which have summarized offline experience, and adapting them to self-collected online experience. We present DF-ExpEnse, an exploration technique that improves the quality of online experience collection, thus increasing finetuning sample-efficiency. DF-ExpEnse leverages the multimodal modeling capabilities of the generative control policy to create an expressive and tractably evaluatable candidate set. It then utilizes an ensemble of critics to identify the action that best balances quality with high exploration interest. In fleet settings, DF-ExpEnse further enables cross-agent communication to facilitate collaborative exploration as a group. DF-ExpEnse can be seamlessly integrated with existing strategies that finetune pretrained generative control policies via reinforcement learning. We experimentally validate consistent sample-efficiency benefits through DF-ExpEnse across a variety of manipulation and locomotion tasks, compared to default finetuning and alternative action selection schemes. Project can be found at https://df-expense.github.io.