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01.
arXiv (CS.LG) 2026-06-15

Recursively Trained Diffusion Models: Limiting Collapse Distribution and Spectral Characterization

arXiv:2606.13796v1 Announce Type: cross Abstract: Recursive training of generative models on their own outputs can lead to model collapse, a compounding drift away from the true data distribution. Existing theoretical works bound finite-round error accumulation in the context of diffusion models, but two questions remain open:~what distribution does the recursion converge to, and how fast? We answer both, isolating a mechanism distinct from imperfect learning: even with perfect score estimation and exact sampling, the early stopping of the reverse diffusion (required for numerical stability) drives a progressive drift away from the data distribution. We prove that this recursion converges geometrically to a unique limiting distribution, which admits a closed-form characterization as an infinite mixture of increasingly Gaussian-smoothed versions of the data distribution. A Hermite spectral decomposition of this limit reveals that recursive training acts as a low-pass filter: higher-order modes, which encode fine non-Gaussian structure, are attenuated much more strongly than coarse modes. This spectral picture motivates annealed truncation schedules that progressively shrink truncation times across retraining rounds; we prove that any schedule converging to $0$ asymptotically eliminates recursive compounding. Finally, we show our idealized characterization is robust: in the presence of discretization and score estimation errors, the learned distribution remains in a Wasserstein-2 ball around the ideal limit, with mode-dependent contraction rates that contract high-order errors faster than low-order ones. We validate the theory on synthetic Gaussian mixtures and CIFAR-10.

02.
arXiv (CS.CL) 2026-06-17

Darshana Graph: A Parallel Commentary Corpus for Comparative Indian Philosophy, with Stylometric and Exploratory Graph Analyses

作者:

We introduce Darshana Graph, a corpus of over 125,000 text records spanning classical Hindu, Buddhist, and Jain philosophical traditions, drawn from public-domain and openly licensed translations of sources including the Bhagavad Gita, Brahma Sutras, principal Upanishads, the Pali Canon, and core Jain texts. Its distinctive contribution lies in a structurally unique subset of roughly 8,500 Hindu and Jain records in which the same root verse or sutra is aligned across eighteen historical commentators representing five schools of Vedanta and other darshanas, enabling direct comparison of how independent interpretive traditions read identical source material. To our knowledge, no publicly available resource provides comparable cross-commentator alignment at this scale. We present two analyses built on this corpus. First, a transparent stylometric comparison requiring no machine learning measures argumentative style through scriptural citation density, explicit refutation rate, and sentence complexity. It finds a moderate negative correlation between citation density and refutation rate, a marked increase in refutation rate across three commentators in a related doctrinal lineage, and measurable genre-level differences within the Pali Canon itself. Second, we describe a constrained large language model pipeline that extracts typed philosophical relationships between concepts using a predefined relation vocabulary and deterministic post-hoc validation. The resulting graph surfaces cross-school disagreement patterns while also revealing important extraction limitations, including cases where an independent embedding-based analysis disagrees with the graph-derived findings. We release the full corpus, extracted relationship graph, and all source code.

03.
arXiv (CS.LG) 2026-06-11

From inverse problems to neural operators: prediction, mechanism, and generalization of data-driven models

作者:

arXiv:2606.08956v2 Announce Type: replace Abstract: Scientists have historically relied on mathematical models based on differential equations to relate system inputs – forces, fluxes, or heat sources – to outputs, such as displacement, velocity, concentration, and temperature. These models rely on deep domain knowledge to determine the form of the governing differential equation, which is then calibrated with data by solving an inverse problem. In recent years, the field of Scientific Machine Learning has introduced a variety of alternative modeling strategies for physical systems. A method called Sparse Identification of Nonlinear Dynamics learns the governing equation as a sparse linear combination of terms in a user-defined library. Neural Ordinary Differential Equations construct the governing equation by taking in the state and its derivatives at the input layer of a neural network. Entirely foregoing the modeling framework of differential equations, neural operators directly learn a non-linear mapping between the system inputs and outputs. From inverse problems to neural operators, all of these modeling strategies can be conceptualized as data-driven machinery to predict a system's response over a range of inputs. It is then natural to wonder how exactly these various strategies relate to each other, and whether they can be neatly taxonomized. Drawing from the philosophical literature on scientific models, we argue that many model types have a common structure, differing only in the assumed model class of the input-output relation they define. Connecting to philosophical ideas on mechanism, and arguing that data from physical systems arises from solutions to parsimonious differential equations, we propose that only certain models are capable of mechanism discovery, and thus generalization. Our analysis is intended to unite apparently disparate modeling strategies and provide insight into their appropriate use cases.

04.
arXiv (math.PR) 2026-06-17

The Erdős-Hajnal High-Girth Subgraph Conjecture Holds in the Polynomial Chromatic-Sparsity Regime

作者:

arXiv:2606.17901v1 Announce Type: cross Abstract: For a graph $G$ put $h_r(G)=\max{\chi(H):H\subseteq G,\operatorname{girth}(H)\ge r}.$ Erdős and Hajnal asked whether $h_r(G)\to\infty$ as $\chi(G)\to\infty$, for every fixed $r\ge4$. We prove this in every fixed polynomial edge-density regime: for all $r\ge4$, $k\ge2$, $P,C>0$, there is $M=M_{r,k}(P,C)$ such that $\chi(G)\ge M,\ e(G)\le C\chi(G)^P\Longrightarrow h_r(G)\ge k.$ Quantitatively, after replacing $P$ by $P\vee2$ and $C$ by $C\vee2$, $M_{r,k}(P,C)\le \exp!\left(O_{r,k}\bigl((P+2+\log(C\vee2))^2\bigr)\right),$ and consequently the same conclusion holds throughout the quasi-polynomial range $e(G)\le \exp\bigl(C_0(\log\chi(G))^a\bigr),\ 1 < a < 3/2,$ for all sufficiently large $\chi(G)$. In each fixed polynomial-density regime we also obtain $f_{P,C}(k,r)\le k^{O_{r,P,C}(1)}.$ The proof combines a chromatic-defect random extraction lemma, compact and near-quadratic sparse-core bases, and a peeling/thinning bootstrap increasing the admissible edge exponent by $1/(r-1)$. We also prove structural saturation results for possible counterexamples, including Moore-strength exact-cycle packings and quadratic saturation in projected colour-pair space. Finally, writing $h_r^{\mathrm f}(G)=\max{\chi_{\mathrm f}(H):H\subseteq G,\operatorname{girth}(H)\ge r},$ we develop a fractional random-extraction framework based on Mohar-Wu preservation. We prove sufficient cheap-cycle-killing criteria and verify them for several structured families, including clique-organised families, line graphs of incidence graphs of equal-order generalized quadrangles and generalized hexagons, and the Bohman-Keevash tracking-time triangle-free-process graph. We also isolate a density-free obstruction that any proof using this fractional surgery route must overcome.

05.
arXiv (CS.CV) 2026-06-12

Contrast-Informed Augmentation and Domain-Adversarial Training for Adult-to-Neonatal MR Reconstruction Generalization

Purpose: To investigate whether contrast-informed data augmentation and domain-adversarial training improve the adult-to-neonatal generalization of the E2E-VarNet. Methods: Three training regimes were investigated: (1) adult-only training with unaugmented adult data, (2) mixed training with paired unaugmented and neonatal-informed augmented adult data, and (3) mixed training with a domain-adversarial objective. Models were trained on retrospectively undersampled multi-coil adult T2-weighted brain MR data and evaluated on neonatal and adult test data at acceleration factors $R=4$ and $R=8$ using quantitative metrics and qualitative evaluation. Feature analyses assessed whether domain-adversarial training altered the latent representations of unaugmented adult, augmented adult, and neonatal test samples. Results: Mixed training (Mixed) and mixed domain-adversarial training (Mixed-DAT) outperformed unaugmented adult-only training (Unaug-Only) when evaluated on neonatal data. At R=4, Mixed-DAT achieved the best performance (SSIM = 0.924 +/- 0.027, PSNR = 33.98 +/- 1.15 dB). At R=8, Mixed-DAT performed best when measured using SSIM (0.848 +/- 0.031 vs. 0.766 +/- 0.037 for Unaug-Only and 0.814 +/- 0.035 for Mixed) and Mixed performed best when measured using PSNR (29.56 +/- 0.83 dB vs. 26.26 +/- 0.78 dB for Unaug-Only and 29.43 +/- 0.83 dB for Mixed-DAT). Qualitative assessment of t-SNE plots suggested that Mixed-DAT increased the overlap among the latent representations of the unaugmented adult, augmented adult, and neonatal test data. Conclusion: Contrast-informed augmentation and domain-adversarial training improved adult-to-neonatal generalization of deep learning-based MR reconstruction. These findings suggest that contrast-informed data augmentation combined with adversarial training may improve robustness to domain shift in undersampled neonatal MR reconstruction.

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

DEEPRUBRIC: Evidence-Tree Rubric Supervision for Efficient Reinforcement Learning of Deep Research Agents

Deep research agents synthesize long-form reports by searching and reasoning over retrieved evidence. Reinforcement learning with rubric-based rewards improves these agents by optimizing them against checkable criteria that translate report quality into reward signals, but its efficiency depends on whether those criteria reliably capture the task scope and evidence needs. Most existing studies ask an LLM to generate rubrics for a given query, but when the model fails to infer the underlying information needs, the generated rubrics may be incomplete and reduce RL efficiency. To obtain more reliable query–rubric supervision, we introduce DeepRubric, a data construction framework that reverses this process: instead of inferring evaluation criteria for a given query, it first determines what an evidence-backed report should be evaluated on and then synthesizes aligned query–rubric pairs from those evaluation targets. Starting from a sampled seed topic, DeepRubric builds an evidence tree by recursively expanding evidence-backed sub-questions, whose leaves serve as atomic and verifiable evaluation targets. It then uses the evidence tree to synthesize the training query and rubrics, ensuring that the reward evaluates exactly the information requested by the query. Using DeepRubric, we construct 9K query–rubric supervision examples and train DeepRubric-8B with rubric-based GRPO, achieving comparable performance to prior open state-of-the-art deep research models across three benchmarks with roughly 13x fewer RL GPU-hours.

07.
arXiv (CS.CV) 2026-06-17

Training LLMs with Reinforcement Learning over Digital Twin Representations for Reasoning-Intensive Surgical VideoQA

Surgical video question answering requires multi-step reasoning across semantic, spatial, and temporal dimensions. Existing methods architecturally compress videos into discrete token representations and couple visual perception with reasoning. This approach fragments continuous spatial-temporal relationships and has been shown to restrict multi-step reasoning capabilities. We introduce a reinforcement learning (RL) framework that trains large language models (LLMs) to decouple perception from reasoning by operating over digital twin representations constructed from surgical foundation models. Additionally, we introduce hierarchical representations across frame, temporal window, and procedure levels with probabilistic uncertainty estimates. Finally, we propose a novel reward that combines format validation with accuracy assessment through clinical plausibility evaluation and uncertainty-aware calibration for training. To demonstrate the capabilities of this approach, we introduce REAL-Colon-Reason, a colonoscopic benchmark with 2000 question-answer pairs across three complexity levels. We achieve state-of-the-art performance on REAL-Colon-Reason and two existing surgical VideoQA benchmarks REAL-Colon-VQA and EndoVis18-VQA.

08.
Nature Biotechnology 2026-06-08

Single-cell spatial pharmacobiology for imaging antibody-based therapies in solid tumors

作者: 未知作者

We have developed single-cell spatial pharmacobiology (SSP), which combines in situ imaging of a systemically infused fluorescent therapeutic antibody with high-plex spatial proteomics. Applied to head and neck and pancreatic tumors from patients treated in phase 1 trials, SSP revealed marked spatial heterogeneity in antibody delivery and target engagement, which was shaped by conserved stromal barriers.

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

Label Shift Aware Adaptation for Online Zero-shot Learning with Contrastive Language-Image Pre-Training (CLIP)

Vision-language models like Contrastive Language-Image Pre-Training (CLIP) have been extensively studied in data-scarce scenarios. A particularly challenging and realistic task in this area is online zero-shot learning with CLIP, where unknown test samples are predicted sequentially in random order by CLIP while keeping the feature extraction and model parameters fixed during the sequential inference phase. Most existing approaches in this setting address the problem by adapting representations online using incoming test samples, while neglecting the distribution of the data on which CLIP was initially trained. This mismatch can lead to degraded performance when the label distribution in the test data differs from that of the training domain. To address this gap, we propose Label Shift Aware (LSA), which formulates the online zero-shot classification task as a domain adaptation problem. Specifically, LSA adapts the predictions computed by CLIP, which was trained on an unknown source distribution, to a target distribution using only unlabeled test data, and applies label shift correction to mitigate the mismatch between the source and target domains. The extensive experiments across multiple datasets demonstrate that the proposed LSA consistently outperforms state-of-the-art online zero-shot learning methods based on CLIP.

10.
medRxiv (Medicine) 2026-06-11

Impact of Out-Migration and Remittances on Food Consumption Outcomes among Rural Households in Tigray, Ethiopia

作者:

This study examines the effects of rural out-migration and remittance inflows on food consumption outcomes among rural households in the Tigray region of Ethiopia. Utilizing household survey data collected from 521 rural households across three distinct Weredas (districts) (Tahtay Maichew, Kola Tembien, and Kilte-awlaelo). A Binary Probit model was employed to identify factors influencing migration decisions, while an Endogenous Switching Regression (ESR) model was used to estimate the impact of migration on food consumption outcomes while controlling for selection bias and unobserved heterogeneity. Food security was measured using the Food Consumption Score (FCS) and dietary diversity indicators. The empirical results reveal that severe food insecurity is widespread, with over 60% of all surveyed households falling into the "Poor" food consumption category. Descriptive baseline comparisons show that migration and remittance transfers marginally shift the raw average FCS upward from 23.86 to 25.48. However, this impact is profoundly nuanced: remittances serve as an immediate consumption-smoothing safety net but run parallel to a "labor-lost" constraint that reduces own-production capacities, forcing households to rely increasingly on market purchases for staple foods. The findings reveal that migration creates short-term labor shortages in agricultural production; however, remittance inflows substantially improve household food consumption frequencies, particularly for pulses, vegetables, and other nutrient-rich foods. After accounting for self-selection bias and unobserved traits, the rigorous ESR estimates indicate that migration increases the Food Consumption Score of participating households by an average Treatment Effect on the Treated (ATT) of 10.75 points, shifting them into more secure dietary tiers. Moreover, remittances help households mitigate the adverse effects of drought and other shocks by relaxing liquidity constraints and supporting both food purchases and agricultural investments. The study recommends establishing target food security safety nets for non-remittance households, promoting scale-appropriate labor-saving agricultural technologies, expanding traditional communal labor-sharing innovations, and boosting irrigation and agricultural input support programs to enhance rural food security and livelihood resilience.

11.
arXiv (math.PR) 2026-06-18

A simple approach to the L{\o}kka-Zervos dichotomy for absolutely continuous dividend strategies

arXiv:2604.13302v3 Announce Type: replace-cross Abstract: We revisit the optimization problem solved in L{\o}kka & Zervos (2008), i.e., the maximization of dividends, in a Brownian risk model, with the possibility (not the obligation) of making capital injections. Following the approach introduced in Alvarez & Shepp (1998), Renaud & Simard (2021), Renaud et al. (2023), we consider instead absolutely continuous (AC) dividend strategies with an affine bound on the payment rates, while singular capital injections are still allowed. In addition, we incorporate a parameter for the cost of ruin or, said differently, a penalty at ruin in the performance function. We show that the solution is a so-called L{\o}kka-Zervos dichotomy: the surplus is never ruined by making bail-out payments, or no capital is injected and bankruptcy can occur; in either case, dividends are paid at full rate when the surplus is above a threshold. Our framework allows us to provide explicit conditions to express the dichotomy, either using the cost of capital injections or the cost of ruin as a criterion, which also exposes the underlying structure of the solution. In particular, for some values of the parameters, we show that it is optimal to liquidate. Moreover, we perform a numerical analysis highlighting the range of values generated under this AC affine-bound structure.

12.
arXiv (quant-ph) 2026-06-19

Many-body chirality of topological stabilizer states

arXiv:2606.20472v1 Announce Type: new Abstract: A defining feature of chirality is the distinction between a system and its mirror image. Despite extensive experimental observations of chiral phases and theoretical advances, a quantum-information theoretic characterization of chirality based solely on the entanglement structure of many-body quantum states remains elusive. Here, we introduce the notion of many-body chirality by formulating it as an obstruction to transforming a quantum state into its complex conjugate through finite-depth local operations. We rigorously establish many-body chirality for stabilizer realizations of $\mathbb{Z}_d^{(k)}$ anyon theories, proving that complex conjugation can be implemented by local quantum channels if and only if the underlying anyon data are mirror invariant. This reveals forms of chirality that evade conventional diagnostics, including examples with vanishing modular commutator, vanishing chiral central charge, and commuting-projector realizations. We further show that this obstruction is intrinsically four-partite, while invisible to tripartite entanglement structure. Finally, we prove that $\mathbb{Z}_d^{(k)}$ states with $d>2$ possess intrinsic many-body imaginarity: their complex phase structure cannot be removed by finite-depth local unitaries. Remarkably, this includes states that are not many-body chiral.

13.
arXiv (quant-ph) 2026-06-16

Non-perturbative CPMG scaling and qutrit-driven breakdown under compiled superconducting-qubit control: a single-qubit study

作者:

arXiv:2603.29525v3 Announce Type: replace Abstract: Decoherence in superconducting qubits arises from both multilevel dynamics and structured environmental noise, yet perturbative models cannot capture all resulting signatures. Here, EmuPlat couples instruction-set-architecture-level waveform generation to the hierarchical equations of motion HEOM under $1/f$ non-Markovian pure dephasing. In the resulting non-perturbative regime – where filter-function predictions become quantitatively uninformative – CPMG scaling of a three-level superconducting transmon yields one calibration result, two physical findings, and one structural null. Y-CPMG exhibits axis-dependent scaling-law breakdown – non-monotonic decoherence, partial coherence revival, and pronounced X–Y population asymmetry ($0.204$ vs ${

14.
arXiv (CS.CL) 2026-06-16

Can LLM Agents Infer World Models? Evidence from Agentic Automata Learning

We propose agentic automata learning to evaluate the extent to which tool-calling LLM agents can uncover hidden environments through interaction. In our setup, an agent should uncover a hidden deterministic finite automaton (DFA) by interacting with an oracle through (1) membership queries ("Does this string belong to the target language?") and (2) equivalence queries ("Is this the target DFA?"). This yields a scalable testbed with controlled task complexity, measurable interaction efficiency, and strong baselines (classic automata-learning algorithms). Evaluating state-of-the-art LLMs, we find that performance drops sharply as DFA size increases. Reasoning models are markedly stronger than non-reasoning models, yet trajectory analyses reveal recurring failures in query planning, evidence integration, and hypothesis construction. Overall, our results show that current LLM agents can sometimes perform non-trivial interactive discovery, but remain far less robust and efficient than classic algorithms for the task.

15.
arXiv (CS.CL) 2026-06-19

Generative Engine Optimization at Scale: Measuring Brand Visibility Across AI Search Engines

People increasingly get answers straight from AI search engines like ChatGPT, Claude, Perplexity, and Gemini rather than scrolling search results. Brands that once focused on search engine optimization (SEO) must now optimize for how these engines represent, cite, and recommend them – a shift variously called Generative Engine Optimization (GEO), Answer Engine Optimization (AEO), and AI Search Visibility. We treat AEO and AI Visibility as part of GEO, and study how to measure brand visibility across AI engines: what they value when they cite a brand, which sources they rely on, and what content large language models surface. The hard case is everyone outside the already-authoritative top brands – SMEs, D2C brands, creators, and early-stage startups. We analyze 100K+ prompt responses across 100+ brands tracked on Ranqo between March and May 2026. First visibility runs form a clear three-tier brand-stature ladder: global household names (e.g., Stripe, Nike) appear in 73% of relevant AI answers on their first run; established mid-market and regional brands (e.g., Olipop, Klaviyo) in 44%; niche and small brands in just 11% – about 30 percentage points per step. When engines cite sources, about 78% go to corporate websites; among non-corporate sources YouTube leads, ahead of Reddit, editorial media, and Wikipedia. The highest-leverage page is the ranked "best-of" listicle, the most-cited content format at about 21% of all citations. Sentiment is the unstable signal: whether a brand is framed positively or negatively flips about 6.7 times more often than whether it is mentioned at all. These findings provide a first large-scale baseline for measuring GEO: AI brand visibility can be measured, differs by platform, and varies strongly by brand maturity. We close by proposing seven v1.1 protocols to test whether specific recommendations can causally improve AI visibility.

16.
arXiv (CS.AI) 2026-06-18

RTSGameBench: An RTS Benchmark for Strategic Reasoning by Vision-Language Models

arXiv:2606.18950v1 Announce Type: new Abstract: Modern Vision-Language Models (VLMs) often struggle with strategic reasoning, i.e., anticipating and influencing other agents' actions, under uncertainty in competitive and cooperative settings. Real-time strategy (RTS) games can be a natural testbed for diagnosing this limitation, as they demand coordination with allies, adaptation to opponents' strategy, and long-horizon planning under partial observability. However, existing RTS benchmarks offer limited evaluation scope, lack systematic competency diagnosis, and remain fixed in the pre-designed scenario coverage. To address these limitations, we present RTSGameBench, which is built on Beyond All Reason, a large-scale RTS game with an expanded battlefield that demands broader strategy diversity than the existing testbeds. The proposed benchmark provides evaluations through diverse gameplay across various matchup structures, diagnostic assessment via mini-games, each targeting an individual strategic competency, and extensible coverage via a self-evolving generation framework that converts free-form queries into new mini-games, improving over successive cycles. Additionally, for VLMs to operate in large-scale RTS games, we provide RTSGameAgent that manages units by an FSM with agentic memory. We empirically validate that multiple state-of-the-art VLMs do not perform well when matchups demand tighter coordination, multiagent coordination and when task scale increases.

17.
PLOS Medicine 2026-05-08

Optimal minimal residual disease threshold in pediatric acute myeloid leukemia: A retrospective cohort study based on the TARGET database

by Xiong-yu Liao, Hong Zheng, Jian-pei Fang, Dun-hua Zhou, Kun-yin Qiu Background Minimal residual disease (MRD) monitoring is a cornerstone of risk stratification in pediatric acute myeloid leukemia (AML), with a threshold of 0.1% conventionally defining positivity by flow cytometry. Advances in flow cytometric technologies, enabling detection of leukemic cells with higher sensitivity and specificity, warrant a reevaluation of whether a lower threshold improves prognostic accuracy. Methods and findings We conducted a retrospective cohort study using data from the Therapeutically Applicable Research to Generate Effective Treatments (TARGET)-AML initiative. The study population comprised 1,205 pediatric patients with de novo AML treated across Children’s Oncology Group (COG) clinical trial centers. Patients were enrolled between September 1996 and December 2016, with a median follow-up of 6.2 years (range: 0.5–20.1 years). The primary objective was to compare the prognostic performance of the traditional MRD threshold (≥0.1%) with a lower threshold (≥0.05%) after induction courses 1 and 2. The main outcome measure was 5-year event-free survival (EFS). Analyses included Kaplan−Meier survival estimates, Cox proportional hazards models to calculate hazard ratios (HR) with 95% confidence intervals (CI), receiver operating characteristic (ROC) curves, and net reclassification improvement (NRI). The optimal threshold for predicting 5-year EFS, determined by ROC analysis, was 0.05% after both induction course 1 (AUC: 0.840, 95%CI[0.76,0.88]) and course 2 (AUC: 0.854, 95%CI[0.78,0.89]). The 0.05% threshold demonstrated higher HR for the first event than the 0.1% threshold (after course 1: HR = 2.8, 95%CI[2.3,3.3]; P 

18.
arXiv (CS.LG) 2026-06-12

Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design

arXiv:2601.09693v3 Announce Type: replace Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for predefined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.

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

Thermodynamic Value of XOR-Game-Induced Side Information in a Szilard Engine

arXiv:2605.12044v3 Announce Type: replace Abstract: We introduce a Szilard-type thermodynamic valuation of side-information channels induced by Bell-type correlations. In each round, a two-level working system is thermalized with a degenerate Hamiltonian, so that its physical microstate is a uniform classical bit. A trusted referee embeds this bit into a finite two-player XOR game, and a correlation resource produces a compressed controller bit. The controller uses only this compressed bit as side information for feedback. The construction is formulated first for arbitrary finite XOR games. The referee encoding makes the game-winning event equivalent to correct prediction of the physical microstate. Consequently, the induced side-information channel is binary symmetric, with success probability equal to the XOR-game winning probability of the supplied behaviour. The reversible Szilard feedback value is therefore fixed by the mutual information between the microstate and the controller record. Optimizing over local, quantum, and nonsignalling behaviour sets turns the corresponding game values into local, quantum, and nonsignalling thermodynamic ceilings. The construction is an effective-channel valuation, not a claim that Bell nonlocality is thermodynamic fuel. The controller receives only the compressed prediction bit, not the auxiliary variables that define the game. The thermodynamic costs of the referee, the correlation resource, and the preprocessing are not included. When controller-memory reset is included in a full cycle, the net work is non-positive, consistently with the second law.

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

Graphical conditional generative modeling for digital twin modeling

arXiv:2606.16219v1 Announce Type: cross Abstract: Digital twin modeling, including control and data assimilation under model uncertainty, often faces an open-ended fidelity problem: adding variables, data streams, and time scales can indefinitely increase model complexity, ultimately producing systems that are difficult to maintain, validate, interpret, and use for stress or safety testing. As an alternative, one can seek parsimonious stochastic surrogate models built only on the variables needed to describe the relevant quantities of interest. We introduce a framework for discovering such variables from observational data by identifying which candidate inputs influence the full conditional law of a target quantity, rather than only its conditional mean. This distinction is essential in stochastic, coarse-grained, or partially observed systems, where dependencies may appear through changes in variability, tail behavior, multimodality, or uncertainty rather than through deterministic functional relationships. The framework couples conditional generative modeling, which learns the conditional distribution of the target given candidate inputs, with Gaussian-process-based analysis of variance (through kernel mode decomposition), which enables iterative pruning of non-influential inputs and interpretable structure discovery. In control settings, the resulting surrogate can be interpreted as a learned Markov decision process: the method identifies not only a transition model, but also the state, action, and memory variables needed to make the learned dynamics effectively Markovian. Across examples involving stochastic dynamical systems, missing variables, PDE control, reinforcement learning, and economic data, the discovered structures yield interpretable stochastic surrogates whose downstream performance is comparable to models trained on the full variable set.

21.
arXiv (CS.LG) 2026-06-17

Reward hacking in physical reinforcement learning revealed by turbulent drag reduction

arXiv:2606.06227v2 Announce Type: replace-cross Abstract: A reinforcement-learning agent maximises its reward, which can diverge from the outcome its designer intended. In physical control the reward rarely closes that gap, and drag reduction in wall turbulence makes it concrete. A mass-conservation projection couples agents' outputs and erases the per-agent credit the policy gradient needs; a memoryless policy cannot resolve the slow near-wall cycle it acts on; and a pressure-gradient reward pays for nominal drag reduction by pumping power through the wall. Two degenerate controllers achieve large drag reductions while total dissipation rises, so the reported figure can mask a more wasteful flow. We trace each fault to its cause and fix it: a differentiable projection that restores credit, a recurrent policy with a widened sensing stencil, and a reward scored on the true wall power. The corrected controller acts on the flow within a closed energy budget, earning a conservative $17\%$ under honest accounting.

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

Universal Time Series Generation with Neural Controlled Differential Equations

arXiv:2605.28507v2 Announce Type: replace Abstract: Recent work on the sequence universality of State Space Models (SSMs) has introduced efficient, maximally expressive continuous-time approaches for time-series modelling. While these works focus on discriminative settings, we extend this perspective to generative time-series modelling by proving that maximally expressive Structured Linear Controlled Differential Equations (SLiCEs) are universal time-series generators, in the sense that they can approximate the induced path laws of continuous causal pushforwards on compact latent sets in $W_\infty$. Building on these theoretical results, we propose Generative SLiCEs (G-SLiCEs), a maximally expressive continuous-time model for flow matching on path-space. Empirically, we show that expressivity improves performance in probabilistic forecasting and downstream tasks, while retaining the advantages of continuous-time models such as generalising to arbitrary observation grids. This is particularly beneficial for irregular grids, where fixed-grid models often struggle.

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

Selective Synergistic Learning for Video Object-Centric Learning

Typical video object-centric learning (VOCL) approaches employ slot-based frameworks that rely on reconstruction-driven encoder-decoder architectures, where learning is mediated by two spatial maps: attention maps from the encoder and object maps from the decoder. As these two distinct maps exhibit different properties, a recent dense alignment strategy attempted to reconcile this discrepancy by enforcing agreement across all spatio-temporal patches via contrastive learning. However, this indiscriminate alignment inadvertently propagates the inherent weaknesses of each module, such as noisy encoder predictions and blurred decoder boundaries. Moreover, computing dense similarities across all pairs incurs a computational cost quadratic in the total number of spatio-temporal patches, severely limiting scalability. Motivated by this, we propose Selective Synergistic Learning (SSync). Instead of exhaustive patch-to-patch alignment, SSync prevents error propagation by selectively distilling only the most reliable cues: leveraging the encoder strictly for boundary refinement and the decoder for interior denoising. This is realized via a pseudo-labeling with linear complexity, eliminating the need for quadratic spatial comparisons. Also, to prevent the reinforcement of architectural biases like slot redundancy, we introduce a transitive pseudo-label merging that consolidates overlapping slots based on spatio-temporal activation consistency. Extensive studies demonstrate that SSync improves decomposition quality and serves as a versatile, plug-and-play module while also exhibiting exceptional robustness to slot configurations. Code is available at github.com/wjun0830/SSync.

24.
arXiv (CS.AI) 2026-06-12

Existence Precedes Value: Joint Modeling of Observational Existence and Evolving States in Time Series Forecasting

arXiv:2606.13571v1 Announce Type: cross Abstract: Real-world time series are often highly incomplete and irregular due to sensor dormancy, transmission delays, and event-driven sampling, making reliable forecasting fundamentally challenging. Existing methods have evolved from impute-then-forecast pipelines to continuous-time models such as Neural ODEs and continuous-time graph networks. While these approaches improve the modeling of historical irregularity, they still rely on an implicit oracle assumption at inference time: the timestamps of future valid observations are presumed to be known in advance. This assumption limits practical relevance, since in many real systems the more fundamental question is not only what the future value will be, but also whether a valid observation will occur at all. In this paper, we propose Timeflies, a unified framework that reformulates forecasting as a joint problem of future observability inference and value estimation. To explicitly model the interaction between observation dynamics and state evolution, Timeflies adopts an observation stream and a value stream, coupled through three dedicated modules for reliability-aware embedding, observation-guided dependency modeling, and joint prediction. We further construct Shadow, a benchmark that combines natural missingness from public datasets with real-world industrial data, and introduce the Observation-Value Joint Entropy (OVJE) metric to comprehensively evaluate this coupled predictability. Extensive experiments show that Timeflies consistently outperforms existing methods, highlighting the importance of explicitly modeling future observability in time series forecasting with missing values. Code and dataset are available in https://github.com/ant-intl/Timeflies.

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arXiv (CS.CL) 2026-06-16

EvoMemBench: Benchmarking Agent Memory from a Self-Evolving Perspective

Recent benchmarks for Large Language Model (LLM) agents mainly evaluate reasoning, planning, and execution. However, memory is also essential for agents, as it enables them to store, update, and retrieve information over time. This ability remains under-evaluated, largely because existing benchmarks do not provide a systematic way to assess memory mechanisms. In this paper, we study agent memory from a self-evolving perspective and introduce EvoMemBench, a unified benchmark organized along two axes: memory scope (in-episode vs. cross-episode) and memory content (knowledge-oriented vs. execution-oriented). We compare 15 representative memory methods with strong long-context baselines under a standardized protocol. Results show that current memory systems are still far from a general solution: long-context baselines remain highly competitive, memory helps most when the current context is insufficient or tasks are difficult, and no single memory form works consistently across all settings. Retrieval-based methods remain strong for knowledge-intensive settings, whereas procedural and long-term memory methods are more effective for execution-oriented tasks when their stored experience matches the task structure. We hope EvoMemBench facilitates future research on more effective memory systems for LLM-based agents. Our code is available at https://github.com/DSAIL-Memory/EvoMemBench.