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

Zeta: Dual Whitening for Matrix Optimization via Coordinate-Adaptive Preconditioning

arXiv:2606.14187v1 Announce Type: new Abstract: Large-scale neural network training increasingly relies on matrix-aware optimizers that exploit the structure of weight parameters beyond element-wise adaptation. However, existing matrix-aware methods such as Muon have an underappreciated vulnerability: their core operation, Newton-Schulz iteration, depends critically on input conditioning, yet the raw momentum matrices exhibit severe coordinate-wise scale heterogeneity. In this paper, we first verify this scale heterogeneity through a chi-square uniformity test, showing that intra-matrix scale imbalance is prevalent across Transformer layers and that coordinate whitening effectively corrects it. Motivated by this finding, we propose Zeta, a dual whitening optimizer that applies coordinate whitening and spectral whitening in a strictly ordered pipeline. The ordering is not a tunable choice but follows from a mathematical dependency: coordinate whitening establishes the statistical isotropy that spectral whitening requires to function reliably. We further prove that this dual pipeline strictly reduces orthogonalization error relative to pure spectral methods by improving the condition number of the input. Empirically, Zeta matches or surpasses strong baselines across language modeling (0.6B to 8B parameters), mixture-of-experts architectures, and vision tasks, demonstrating that resolving scale imbalance before orthogonalization leads to faster convergence and better generalization. Code is available at https://gitcode.com/kevin259/MindSpeed.

02.
arXiv (CS.AI) 2026-06-12

Under What Conditions Can a Machine Become Genuinely Creative?

Authors:

arXiv:2606.13196v1 Announce Type: new Abstract: Recent AI systems can generate texts, software architectures, hypotheses, designs, and scientific workflows that appear creative. This paper asks under what conditions a machine can become genuinely creative, and how human agency can be preserved within shared cognitive and creative environments. It develops a requirement framework derived from Designics, the science of meaning-bearing intentional change. The paper argues that genuine machine creativity should not be defined by output novelty, current performance, or transient architecture alone. Instead, creativity is understood as the structural transformation of incomplete situations through recursive intervention dynamics. On this view, it depends on ten requirements: environment representation, scoped perception, conflict identification, intervention capability, consequence observation, knowledge and environment update, rescoping, local-to-global unfolding, value-based scoping, and human-AI co-living. These are organized through the three laws of Designics: perception, conflict, and capability. The paper illustrates the computational tractability of these requirements through selected cyber-physical and cyber-biological studies, including recursive element extraction, autonomous mesh generation, and neurophysiological and workload analysis. It then treats open-ended systems, automated discovery frameworks, self-modifying agents, foundation models, and agentic workflows as pressure cases: they demonstrate powerful generative means but do not by themselves establish genuine machine creativity. Finally, the paper argues that proactive AI ethics is internal to genuine machine creativity rather than an after-the-fact filter. Value-based scoping and human-AI co-living must shape how creative machines perceive environments, identify conflicts, select interventions, observe consequences, update knowledge, and rescope future action.

03.
arXiv (CS.CV) 2026-06-12

CACR:Reinforcing Temporal Answer Grounding in Instructional Video via Candidate-Aware Causal Reasoning

The task of temporal answer grounding in instructional video (TAGV), which aims to locate precise video segments that respond to natural language queries, is increasingly important for direct video answer retrieval. This task remains challenging due to the need to comprehend semantically complex questions and to address the significant length mismatch between untrimmed videos and short target moments. Existing methods often suffer from sensitivity to irrelevant content or insufficient visual reasoning capabilities. To tackle these limitations, we propose a Candidate-Aware Causal Reasoning (CACR) framework. Our approach first employs a Visual-Language Pre-training based Candidate Selection (VBCS) algorithm to efficiently generate K candidate segments, then applies a temporal logic reasoning module enhanced by a rejection reward mechanism and optimized via Group Relative Policy Optimization (GRPO) for robust inference. Extensive experiments on six benchmarks demonstrate that our method achieves state-of-the-art performance in terms of mean Intersection-over-Union (mIoU), providing a new perspective for reasoning-based retrieval in long videos.

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

A Unified Definition of Hallucination: It's The World Model, Stupid!

Despite numerous attempts at mitigation since the inception of language models, hallucinations remain a persistent problem even in today's frontier LLMs. Why is this? We review existing definitions of hallucination and fold them into a single, unified definition wherein prior definitions are subsumed. We argue that hallucination can be unified by defining it as simply inaccurate (internal) world modeling, in a form where it is observable to the user. For example, stating a fact which contradicts a knowledge base OR producing a summary which contradicts the source. By varying the reference world model and conflict policy, our framework unifies prior definitions. We argue that this unified view is useful because it forces evaluations to clarify their assumed reference "world", distinguishes true hallucinations from planning or reward errors, and provides a common language for comparison across benchmarks and discussion of mitigation strategies. Building on this definition, we also connect our framework to HalluWorld, a complementary benchmark that instantiates fully specified reference world models for stress-testing model hallucinations.

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

Free Energy Heuristics: Fast-And-Frugal Cognition as Active Inference Under Uncertain Precision

Authors:

Chain-of-thought (CoT) improves large language models' performance in math and symbolic reasoning. But on planning, contested ethics, and tasks where the model cannot check itself, more reasoning makes things worse. Both effects are documented; what has been missing is a principled account of which property decides the outcome. We argue it is meta-uncertainty: how unsure the model is about the reliability of its own evidence. When that uncertainty is high, extra reasoning stops adding signal and starts manufacturing false confidence. We prove that the policy minimizing expected free energy under uncertain precision stops integrating cues after a finite number of high-validity ones when the precision prior is heavy-tailed (Theorem 2.6.1), and under a Descending Dominance condition, is sample-wise identical to take-the-best (Theorem 2.7.4). Fast-and-frugal heuristics and active inference are, then, two descriptions of the same computation. The prediction is that on high-meta-uncertainty items, longer CoT should degrade accuracy. We score the regime per item (simulate-and-recover rho > 0.96), build FEH-79, a benchmark of Knightian frames with matched controls, and run a pre-registered study across seven models (five open-weight 3B-32B, two frontier), five CoT lengths, and 7,875 responses. The gate, fixed before any data, required a negative interaction with posterior probability above 0.95 and an accuracy drop of more than 6 points. It held. The high-regime drop is 17.3 points (95% CI [7.7, 25.5]); matched items with definite answers show no cost. The effect is regime-dependent: decisive in capable mid-to-large models, directional in the two frontier systems, absent-to-reversed in the weakest. The framework answers when CoT helps and unifies the Bayesian and fast-and-frugal traditions: less-is-more effects are evidence about the meta-uncertainty regime, not against Bayesian cognition.

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

Controlled ion-ion interactions and cavity-enhanced emission of a coherent dinuclear Eu$^{3+}$ complex

arXiv:2606.11947v1 Announce Type: new Abstract: Molecular rare-earth-ion complexes offer unique opportunities for quantum technologies by combining the intrinsic coherence properties of rare-earth ions with chemically tunable molecular environments. A crucial capability is the realization of multi-qubit architectures with defined qubit couplings to enable two-qubit quantum gates. Here, we investigate the optical coherence properties and excitation-induced interactions of two Eu$^{3+}$-based molecular complexes, comparing a mononuclear reference system with a dinuclear analogue in which two Eu$^{3+}$ ions are positioned at a well-defined intramolecular distance of about 7 Angstrom. Using cryogenic ensemble spectroscopy, including spectral hole burning, free-induction decay, and photon echo measurements at temperatures down to 100 mK, we demonstrate long optical coherence times $T_{2,o}$ of up to 9 $\mu$s. As a key step toward scalable multi-qubit architectures, a control-target sequence was implemented to probe conditional ion-ion interactions, revealing a stronger interaction-induced dephasing in the dinuclear complex. Finally, we show the integration of the dinuclear complex into a fiber-based optical microcavity, and observe an 380-fold emission enhancement of the $\mathrm{}^5\mathrm{D}_0\rightarrow\mathrm{}^7\mathrm{F}_0$ transition. Together, these results position molecular rare-earth complexes as versatile and chemically tunable building blocks for scalable quantum technologies.

08.
arXiv (CS.CL) 2026-06-11

BioDivergence: A Benchmark and Evaluation Framework for Hidden Contextual Contradictions in Biomedical Abstracts

Biomedical findings often seem to conflict across studies, but many of these differences are context-dependent rather than true contradictions. Variations in cohort, geography, assay protocol, disease subtype, and clinical setting can make both claims locally valid. Existing NLI and scientific claim-verification benchmarks reduce such cases to entailment, contradiction, or neutral, failing to capture the contextual structure behind divergence. To address this, we introduce BioDivergence, an evaluation framework with a six-class conflict taxonomy, a 13-axis divergence ontology, and four structured outputs per claim pair: conflict type, divergence axes, dominant confounder, and reconciliation explanation. We release BioDivergence-Silver-v1.0, an article-disjoint silver benchmark of 11,865 claim pairs across five biomedical domains, alongside a legacy deduplicated variant for comparison. Results show notable ranking differences between the two variants, with the fine-tuned reference model dropping about 12 points under the article-disjoint setting, while Mistral-7B-Instruct-v0.3 achieves 0.5523 accuracy and 0.3894 contextual-F1 on the 842-example primary test set. BioDivergence offers a more faithful way to distinguish contextual divergence from direct contradiction and to separate article-level memorization from genuine task learning.

09.
arXiv (quant-ph) 2026-06-16

Twisted (co)homology of non-orientable Weyl semimetals

arXiv:2511.22303v3 Announce Type: replace-cross Abstract: The quasi-particle excitations in Weyl semimetals, known as Weyl fermions, are usually forced to emerge in charge-conjugate pairs by the Nielsen–Ninomiya theorem. When the Brillouin zone is non-orientable, this constraint is replaced by a $\mathbb{Z}_2$ charge cancellation, as a result of the chirality becoming ill-defined on such manifolds; this results in configurations with seemingly non-zero total chirality. Here, we set out to explain this behaviour from a purely topological perspective, and provide a classification of non-orientable Weyl semimetal topology in terms of exact sequences of twisted (co)homology groups. This leads to several discoveries of direct physical importance: in particular, we recover the $\mathbb{Z}_2$ charge cancellation in a coordinate-independent way, allowing meaningful limits to be set on its physical interpretation. A detailed discussion is provided on a specific Klein bottle-like topology induced by a momentum-space glide symmetry, including a full review of the insulating and semimetallic invariants of the system and a classification of the surface states on the non-orientable boundary. Beyond this, we provide a complete survey of all possible non-orientable Brillouin zones and their associated invariants, and extend our formalism into the realm of non-Hermitian topological physics and inversion-symmetric Weyl semimetals. Our work exemplifies the vast potential of fundamental mathematical descriptions to not only aid the corresponding physical intuition, but also predict novel and hitherto overlooked phenomena of great relevance throughout the physics research forefront.

10.
arXiv (CS.AI) 2026-06-12

The Challenges of Balancing AI Compliance and Technological Innovations in Critical Sectors: A Systematic Literature Review

arXiv:2606.12423v1 Announce Type: cross Abstract: The rapid integration of artificial intelligence (AI) into critical infrastructure including healthcare, finance, energy, and defense, offers transformative benefits but also conflicts with evolving regulatory and governance frameworks. This paper presents a systematic literature review (SLR) to examine the challenges of balancing AI compliance and technological innovation across critical infrastructure sectors. The review follows established SLR guidelines to extract and synthesize insights from peer-reviewed articles, report, and institutional sources published between 2020-2025. The study identifies three interrelated challenges: fragmented regulations, excessive compliance burdens for smaller to medium enterprises (SMEs), and misaligned governance models. To address these challenges, the study highlights practical governance strategies, including risk-tiered regulation, compliance by design, and explainable AI, to support scalable and trustworthy AI deployment in critical sectors. Key contributions include a concise mapping of core AI-governance challenges and a conceptual diagram illustrating their overlap, as well as actionable strategies for policymakers and practitioner to harmonize oversight with innovation.

11.
arXiv (CS.AI) 2026-06-19

Deontic Policies for Runtime Governance of Agentic AI Systems

arXiv:2606.19464v1 Announce Type: new Abstract: Autonomous agentic AI systems driven by Large Language Models (LLMs) introduce a new class of security, privacy, and compliance challenges: an agent that can invoke tools, manipulate data, install software, and coordinate with peer agents across organizational boundaries must be constrained not just by authentication and access control, but by the full structure of enterprise governance. This includes specifying what agents are permitted and prohibited from doing, what they areobliged to do after certain actions (e.g., notify the CISO), under what conditions a standing obligation may be waived, and which rules take precedence when policies conflict. This governance problem exceeds what current policy engines provide. Systems such as XACML, Rego, and Cedar address only the permit/prohibit subset of this governance structure. They do not provide obligation lifecycle management, meta-policy conflict resolution, dispensations that waive obligations in specific circumstances, and ontological reasoning over domain class hierarchies commonly found in applications such as healthcare, cybersecurity, or data privacy. We propose AgenticRei, which realizes key governance requirements such as obligations, dispensations, policy conflict resolutions, and reasoning over policies, as well as the basic permit/prohibit constraints. We use a deontic policy language built on the Rei framework, expressed as OWL (Web Ontology Language) and evaluated at runtime by a high-performance logic engine entirely outside the LLM. The same pipeline governs both tool invocations by the agent and agent-to-agent messages. We show through examples that deontic policies capture governance constraints around security and privacy that mostly cannot be expressed in current production engines. Our approach composes naturally with industry-standard frameworks like A2AS.

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

VANDERER: Map-Free Exploration using Future-Aware and Visual-Curiosity-Guided Diffusion Policy

Mobile agents require efficient exploration strategies to map unseen environments and autonomously plan tasks. Traditional methods rely on generating occupancy maps and optimizing the sequence in which unexplored regions are visited. However, in sensor-constrained settings, such as those limited to monocular cameras, generating accurate occupancy maps is challenging. To address this, we propose VANDERER, an exploration framework that leverages a Visual Curiosity Module (VCM) to guide pre-trained diffusion policies using only monocular image data. This curiosity module predicts the outcomes of proposed actions via a navigation world model and evaluates them through a curiosity cost. The cost then guides the diffusion process toward generating actions that maximize exploration. Evaluated across diverse simulated environments, VANDERER consistently outperforms established baselines, exploring an average of 13.4% more area than NoMaD. Our results reveal a direct correlation between visual and geometric curiosity in outdoor environments, demonstrating that VANDERER can effectively leverage this relationship for efficient exploration using sensor-constrained agents.

13.
arXiv (CS.AI) 2026-06-17

Visored: A Controlled-Natural-Language Prover for LLM-Generated Mathematics

arXiv:2606.17581v1 Announce Type: cross Abstract: We present a dependent-type-based prover designed around the way LLMs (and humans) tend to write mathematics, complementing existing systems such as Lean and Rocq. Its core design choices are a surface that imitates mathematical natural language and a rule-driven automation layer that closes the routine steps a textbook would omit, so that an accepted proof can be re-emitted as a checked Lean file. Early experiments suggest that, even without any prover-specific training data, LLMs can learn to use it effectively on the miniF2F benchmark. Lean output excerpts: https://github.com/xiyuzhai-husky-lang/visored/

14.
arXiv (CS.CL) 2026-06-11

ALIGNBEAM : Inference-Time Alignment Transfer via Cross-Vocabulary Logit Mixing

Domain fine-tuning degrades the safety of large language models: fine-tuned specialists readily comply with harmful prompts framed in domain language. Existing inference-time defenses that mix logits from a safe anchor model require both models to share a vocabulary, which rules them out for the cross-family specialists where safety is most degraded. We present ALIGNBEAM, a training-free method that lifts this restriction by translating anchor logits into the target model's vocabulary token-by-token at each decoding step; a small LLM judge then selects the safest among K candidate continuations. No weights are changed, and the safety-utility trade-off can be tuned at deployment without retraining. Across both cross-vocabulary and same-vocabulary evaluation pairs, ALIGNBEAM substantially raises refusal on adversarial benchmarks while keeping task accuracy and inference overhead within practical bounds. The results show that safety alignment can be transferred between model families at inference time, without touching either model's weights.

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

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

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

16.
arXiv (CS.AI) 2026-06-11

DuoBench: A Reproducible Benchmark for Bimanual Manipulation in Simulation and the Real World

arXiv:2606.11901v1 Announce Type: cross Abstract: Bimanual robot systems substantially expand manipulation capabilities, but coordinating two arms introduces additional control complexity and failure modes that are not well captured by existing benchmarks. We introduce DuoBench, an extensible benchmarking framework for bimanual manipulation policies on the FR3 Duo platform. DuoBench comprises eleven tasks spanning four coordination categories, implemented in simulation and partially reproduced in the real world through reproducible task recipes with 3D-printable assets. In addition, we propose a stage-based evaluation scheme that supports fine-grained semantic failure analysis beyond binary success and provide human-teleoperated datasets for all benchmark tasks. We benchmark several dual-arm imitation-learning and vision-language-action policies in simulation and on real hardware. Our results show that current policies remain challenged by bimanual manipulation, particularly in early interaction stages, parallel arm execution, and transfer between simulation and real-world settings. DuoBench provides a reproducible testbed for diagnosing these failure modes and studying future methods for dual-arm policy learning. Code, datasets, and videos are available at https://duobench.github.io/

17.
medRxiv (Medicine) 2026-06-10

Assessment of the accuracy of lung lesions diagnosis in adolescents with osteosarcoma using artificial intelligence

Background. Lung metastases in osteosarcoma (OS) are the main cause of the death. The accuracy of the diagnosis of nodules by computed tomography (CT) of the lungs is critically important for determining the disseminated stage of the disease and planning surgical treatment. The use of artificial intelligence (AI) in the search for lung nodules increases the accuracy of diagnosis and reduces the chance of missing metastases. Objective: to evaluate the accuracy of lung nodules diagnosis in adolescents with OS using AI. Methods. A retrospective assessment of CT scans of adolescents with OS was performed. A pathological nodule with an average size of [≥]4 mm was considered a target finding. The diagnostic accuracy of an AI algorithm previously trained on an adult dataset was evaluated, and the number of false positives (FP) and false negatives (FN) was determined. Sensitivity, specificity, accuracy, area under the ROC curve (AUC), positive predictive value, negative predictive value, and F1-measure were calculated. Based on the obtained results, the effectiveness of the algorithm was assessed. Results. 248 CT scans of adolescents with OS were evaluated. The following results were obtained: in 5 cases, the AI algorithm showed a FP result (2.02%), in 34 cases, it showed a FN result (13.71%), and in 209 cases, a correct result (both true positive and true negative) (84.27%). The diagnostic accuracy of the algorithm was 0.843 (95% CI 0.794-0.887). The application of the AI algorithm in the practice of an X-ray doctor in a specific clinical task would allow to increase the sensitivity from 0.805 to 0.891, while ensuring an absolute decrease in the number of FN results by 8.59% and a relative decrease by 44%. Conclusion. The obtained results confirm the practical value of the application of the AI algorithm and justify the implementation of AI-assisted systems in the diagnostic protocols for lung metastases in adolescents with OS.

18.
arXiv (math.PR) 2026-06-16

Higher-order spectral perturbation expansions II: Kernel matrices and manifold learning

arXiv:2606.16373v1 Announce Type: cross Abstract: We study spectral concentration bounds for kernel matrices as approximation of the corresponding kernel integral operator. Results are established under weak assumptions on the data setting and the reproducing kernel relying only on a Mercer condition and a local Weyl law. This allows us to deal with key features of kernel matrices, such as large multiplicities, large effective dimension, and heavy-tailed distributions. Our results apply to infinite dimensional principal component analysis, manifold learning, and Bayesian nonparametric statistics. We illustrate this via two prototypical examples: The heat kernel on the sphere and a wavelet prior from Bayesian nonparametrics.

19.
arXiv (CS.CV) 2026-06-17

Neural Tree Reconstruction for the Open Forest Observatory

The Open Forest Observatory (OFO) is a collaboration across universities and other partners to make low-cost forest mapping accessible to ecologists, land managers, and the general public. The OFO is building both a database of geospatial forest data as well as open-source methods and tools for forest mapping by uncrewed aerial vehicle. Such data are useful for a variety of climate applications including prioritizing reforestation efforts, informing wildfire hazard reduction, and monitoring carbon sequestration. In the current iteration of the OFO's forest map database, 3D tree maps are created using classical structure-from-motion techniques. This approach is prone to artifacts, lacks detail, and has particular difficulty on the forest floor where the input data (overhead imagery) has limited visibility. These reconstruction errors can potentially propagate to the downstream scientific tasks (e.g. a wildfire simulation.) Advances in 3D reconstruction, including methods like Neural Radiance Fields (NeRF), produce higher quality results that are more robust to sparse views and support data-driven priors. We explore ways to incorporate NeRFs into the OFO dataset, outline future work to support even more state-of-the-art 3D vision models, and describe the importance of high-quality 3D reconstructions for forestry applications.

20.
arXiv (CS.AI) 2026-06-18

Large-Scale OD Matrix Estimation with A Deep Learning Method

arXiv:2310.05753v2 Announce Type: replace Abstract: The estimation of origin-destination (OD) matrices is a crucial aspect of Intelligent Transport Systems (ITS). It involves adjusting an initial OD matrix by regressing the current observations like traffic counts of road sections (e.g., using least squares). However, the OD estimation problem lacks sufficient constraints and is mathematically underdetermined. To alleviate this problem, some researchers incorporate a prior OD matrix as a target in the regression to provide more structural constraints. However, this approach is highly dependent on the existing prior matrix, which may be outdated. Others add structural constraints through sensor data, such as vehicle trajectory and speed, which can reflect more current structural constraints in real-time. Our proposed method integrates deep learning and numerical optimization algorithms to infer matrix structure and guide numerical optimization. This approach combines the advantages of both deep learning and numerical optimization algorithms. The neural network(NN) learns to infer structural constraints from probe traffic flows, eliminating dependence on prior information and providing real-time performance. Additionally, due to the generalization capability of NN, this method is economical in engineering. We conducted tests to demonstrate the good generalization performance of our method on a large-scale synthetic dataset. Subsequently, we verified the stability of our method on real traffic data. Our experiments provided confirmation of the benefits of combining NN and numerical optimization.

21.
arXiv (CS.AI) 2026-06-15

A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction

arXiv:2606.14498v1 Announce Type: cross Abstract: Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-structure observables that energy-only surrogates cannot resolve. Yet element-wise agreement with the converged Hamiltonian, an implicit fixed point of the self-consistent field iteration, does not determine the occupied subspace that governs orbital energies and densities. Here we present HamEvo, a neural operator that learns the single-step self-consistent update and returns the converged Hamiltonian as its fixed point. HamEvo is pre-trained on intermediate self-consistent trajectories and calibrated at equilibrium with density-matrix supervision. Across benchmarks from MD17 to drug-like QMugs, HamEvo lowers Hamiltonian errors by 35-49% over direct-regression and deep-equilibrium baselines, and predicts QMugs HOMO and LUMO energies with mean absolute errors of 0.036 and 0.053 eV, near the 1 kcal/mol chemical-accuracy scale. Few-shot fine-tuning with only 20 reference conformations extends HamEvo to molecules of up to 122 atoms, well beyond the size range covered by pre-training. With thermal molecular-dynamics sampling, HamEvo captures temperature-dependent HOMO-LUMO gap renormalization beyond the harmonic approximation. Inference is up to 242 times faster than conventional DFT.

22.
arXiv (CS.CL) 2026-06-11

LatticeBridge: Rare-Event Sequential Inference for Faithful Structured Sequence Synthesis

Structured sequence generation often requires a model to satisfy several input-derived constraints in a single output. Standard decoding methods may assign high probability to fluent continuations while placing low mass on continuations that realize all required anchors jointly. We study this regime as a rare-event sequential inference problem. LatticeBridge combines a compact prefix language model, instance-compiled surface automata, and a twisted sequential Monte Carlo (SMC) decoder with resampling, multilevel splitting, and a source-support proposal term derived from instance-provided phrases. The constraint representation is compiled from each input instance and does not rely on manually curated lexical classes. On 2,610 attainable validation tasks spanning CommonGen, E2E NLG, and WikiBio, the particle decoder improves exact anchor satisfaction and mean anchor coverage over greedy, beam-filtered, and best-of-k ancestral baselines under a shared proposal model. Since exact anchor satisfaction alone does not rule out unsupported attribute substitutions, the evaluation reports required-anchor coverage, source coverage, source-intrusion diagnostics, overlap, runtime, and particle statistics jointly. The benchmark characterizes the faithfulness-overlap-latency frontier under a fixed proposal model.

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

FORT-Searcher: Synthesizing Shortcut-Resistant Search Tasks for Training Deep Search Agents

Training deep search agents requires verifiable questions whose answers remain unavailable until sufficient evidence has been acquired through search. Existing synthesis methods often increase apparent difficulty by enriching graph structures, but structural complexity alone does not guarantee realized search difficulty: the intended search process can collapse through a cheaper identifying route. We formalize this gap with a shortcut-aware difficulty framework and identify four actionable shortcut risks: evidence co-coverage, single-clue selectivity, exposed constants, and prior-knowledge binding. To diagnose their realized effects, we use trajectory signatures including solving cost, answer hit time, and prior-shortcut rate. Guided by this framework, we introduce FORT, a Framework of Shortcut-Resistant Training-Data Synthesis. FORT constructs shortcut-resistant training data by controlling shortcut risks across entity selection, evidence graph construction, question formulation, and adversarial refinement. Experiments show that FORT induces longer pre-answer search and fewer shortcut patterns than existing open-source deep search datasets. Using the resulting trajectories, we train FORT-Searcher with supervised fine-tuning (SFT) only, and it achieves the best overall performance among comparable-size open-source search agents on challenging deep search benchmarks. Relevant resources will be made available at https://github.com/RUCAIBox/FORT-Searcher.

24.
arXiv (CS.LG) 2026-06-17

Softmax as Linear Attention in the Large-Prompt Regime: a Measure-based Perspective

arXiv:2512.11784v2 Announce Type: replace Abstract: Softmax attention is a central component of transformer architectures, yet its nonlinear structure poses significant challenges for theoretical analysis. We develop a unified, measure-based framework for studying single-layer softmax attention under both finite and infinite prompts. For i.i.d. Gaussian inputs, we lean on the fact that the softmax operator converges in the infinite-prompt limit to a linear operator acting on the underlying input-token measure. Building on this insight, we establish non-asymptotic concentration bounds for the output and gradient of softmax attention, quantifying how rapidly the finite-prompt model approaches its infinite-prompt counterpart, and prove that this concentration remains stable along the entire training trajectory in general in-context learning settings with sub-Gaussian tokens. In the case of in-context linear regression, we use the tractable infinite-prompt dynamics to analyze training at finite prompt length. Our results allow optimization analyses developed for linear attention to transfer directly to softmax attention when prompts are sufficiently long, showing that large-prompt softmax attention inherits the analytical structure of its linear counterpart. This, in turn, provides a principled and broadly applicable toolkit for studying the training dynamics and statistical behavior of softmax attention layers in large prompt regimes.

25.
arXiv (CS.LG) 2026-06-17

ConTex: Reformulating Counterfactual Generation For Time Series Forecasting

arXiv:2606.18049v1 Announce Type: new Abstract: Decision-making with deep learning-based time series forecasting requires not only accurate predictions but also actionable insights. However, current architectures do not inherently provide such information. Specifically, guidance is needed on how current conditions must be modified to shift from a predicted outcome to a desired future scenario. Counterfactual explanations provide a natural framework for this task, as they represent minimal input changes that alter the model's prediction, indicating when and how intervention is required. Existing approaches rely on instance-wise optimization, leading to inconsistency across instances, high computational costs, and limited applicability in real-time settings. To address these limitations, we reformulate counterfactual generation for time series forecasting as the problem of learning a globally consistent intervention strategy, allowing counterfactuals to be generated through a single shared function. We propose Counterfactual Time Series Explanations (ConTex), a model-agnostic, decomposed architecture comprising a temporal context encoder and a conditional encoder, followed by two heads that capture interventions in terms of temporal relevance and modification strength. This structure overcomes the instability and inconsistency of instance-based approaches by producing targeted, interpretable interventions across time and feature dimensions in a single forward pass, making it suitable for real-time applications. Across multiple forecasting architectures and benchmark datasets, ConTex achieves state-of-the-art validity while generating sparse counterfactuals that minimize the number of necessary interventions. Additionally, our approach reduces computational cost by at least 12-36x compared to instance-wise generation and supports real-time inference at approximately 0.007 seconds.