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01.
arXiv (CS.CL) 2026-06-11

Augmenting Molecular Language Models with Local $n$-gram Memory

Authors:
Xinni Zhang↗Zijing Liu↗He Cao↗Yu Li↗Irwin King↗

Transformer-based language models for SMILES strings suffer from a locality gap: standard character-level tokenization fragments chemically meaningful motifs, forcing models to repeatedly learn local syntax at the expense of long-range dependencies. To address this without disrupting standard tokenizers, we propose MolGram, which integrates a conditional $n$-gram memory module into molecular language models. MolGram maps local string patterns to learned embeddings via scalable hash lookups and dynamically injects this regional context into hidden states. Evaluations across three tasks, including unconditional molecule generation, forward reaction prediction, and single-step retrosynthesis, show that MolGram consistently improves performance. Crucially, our analyses demonstrate that MolGram outperforms baselines with 3$\times$ more parameters, establishing explicit local pattern memory as a highly efficient inductive bias.

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

Revisiting Neural Processes via Fourier Transform and Volterra Series

Authors:
Peiman Mohseni↗Nick Duffield↗Raymond K. W. Wong↗

arXiv:2606.01172v2 Announce Type: replace Abstract: Modeling unknown latent functions from finite, irregularly sampled measurements is a recurring challenge across science and engineering. Neural processes (NPs), a family of probabilistic functional models, are promising solutions – especially when endowed with domain-specific symmetries like translation equivariance, which improve sample efficiency and generalization. Yet existing translation-equivariant NPs face two limitations: (i) they stack generic components with non-linearities, obscuring the induced function class and limiting interpretability; and (ii) convolutional designs rely on kernels with local receptive fields and require dense uniform input grids, while attention-based methods avoid these issues but scale quadratically with the number of observations. We address both with two contributions. First, using the Volterra expansion, we characterize continuous translation-equivariant operators as sums of higher-order convolutions, yielding analytical transparency while admitting efficient approximation by first-order convolutions. Second, we introduce set Fourier convolutions (SFConvs), a frequency-domain parameterization that operates directly on irregularly sampled points, achieves approximately global receptive fields, and scales linearly in the number of observations. Building on these ideas, we propose two conditional NPs (CNPs): SFConvCNPs, which stack SFConv blocks with non-linearities, and SFVConvCNPs, which integrate the Volterra formulation. Experiments on synthetic and real-world datasets demonstrate our methods' efficacy against state-of-the-art baselines.

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03.
medRxiv (Medicine) 2026-06-18

AlphaGenome identifies a deep intronic variant in a family with PLA2G6-associated neurodegeneration: Closing the diagnostic gap in rare genetic diseases

Authors:
Eger↗S. J↗Lopez↗Gomez Navarro↗L. F↗Pena-Tauber↗Cochran↗J. N↗Hiatt↗S. M↗Gelvez↗Garcia-Garcia↗…

A molecular diagnosis remains out of reach for a substantial subset of patients with clinically recognizable Mendelian disorders, even after comprehensive next-generation sequencing. Causal variants in non-coding regions are difficult to detect and interpret using standard pipelines. Deep intronic variants that disrupt splicing are a known but underexplored source of pathogenic alleles, and systematic tools to evaluate them at scale have only recently emerged. We aimed to resolve an incomplete genetic diagnosis in two siblings with early-onset parkinsonism, prominent neuropsychiatric features, and autonomic dysfunction consistent with PLA2G6-associated neurodegeneration (PLAN), an autosomal recessive condition. Prior clinical exome sequencing, genome sequencing, Multiplex Ligation-dependent Probe Amplification (MLPA), and long-read sequencing had identified only a single heterozygous PLA2G6 missense variant, c.2132C>G (p.Pro711Arg). We used AlphaGenome to score 91 non-coding variants shared among the affected siblings and their father within 1 megabase of the PLA2G6 locus. The deep-learning model identified an intronic variant (c.2034+355G>A) that was predicted to create a cryptic splice acceptor site that could result in inclusion of a 160-bp cryptic exon. Tissue-specific predictions indicated the aberrant splicing would be detectable in blood, confirmed by junction-spanning RNA-seq reads from an unrelated carrier. This analysis completed a compound heterozygous PLAN diagnosis nearly two decades after symptom onset and demonstrates the utility of sequence-to-function models. Systematic integration of tools like AlphaGenome into rare disease workflows offers a practical, low-barrier route to closing the diagnostic gap for patients with compelling Mendelian phenotypes and incomplete genetic diagnoses.

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04.
arXiv (CS.AI) 2026-06-15

CADET: Physics-Grounded Causal Auditing and Training-Free Deconfounding of End-to-End Driving Planners

Authors:
Zikun Guo↗

arXiv:2606.14438v1 Announce Type: cross Abstract: End-to-end (E2E) autonomous-driving planners trained by imitation are prone to statistical shortcuts: they associate scene elements that merely co-occur with expert actions (a roadside object, a building facade) with driving decisions, rather than the variables that causally determine them. Such causal confusion silently compromises reliability in long-tail scenarios, and it is difficult to detect, because prevailing open-loop metrics (L2 displacement and collision rate) are dominated by ego status and do not indicate whether a planner depends on spurious cues. Existing remedies based on causal-intervention training require retraining large models and cannot audit a planner that is already deployed. We present CADET, a training-free framework that audits, benchmarks, and repairs spurious reliance in pretrained E2E planners without any parameter update.

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

Where Computation Lives Inside TabPFN: Causal Localisation of Attention Head Function

Authors:
Atharva Gupta↗Dhruv Kumar↗Murari Mandal↗Saurabh Deshpande↗

arXiv:2606.12917v1 Announce Type: new Abstract: We present the first causal mechanistic analysis of a tabular foundation model, investigating how TabPFN 2.5's feature wise attention heads distribute computation across layers. Using activation patching, ablation, and attention entropy across two synthetic regression datasets, we find clear temporal specialisation: one head's causal necessity dominates that of the others by 2 to 5 times at peak layer, with its dominant layer shifting across tasks of different complexity, while the remaining heads exhibit symmetric late layer profiles. Attention entropy and patching provide convergent evidence for the computationally active layers of the dominant head. We additionally investigate inference time steerability via contrastive activation steering, which fails to transfer across samples. We attribute this result to TabPFN's in context learning mechanism, which encodes task structure through context dependent attention rather than the stable parametric directions that make steering tractable in language models.

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

Split-Head Quantum Generative Adversarial Network for Crystalline Material Discovery

Authors:
Huan-Ming Chang↗Jen-Yu Chang↗Tsung-Wei Huang↗En-Jui Kuo↗

arXiv:2606.17852v1 Announce Type: new Abstract: The discovery of novel crystalline materials is a critical challenge in computational materials science, often limited by the spatial representation limitations and mode collapse typical of classical generative models. Traditionally, developing Quantum GANs for continuous 3D space is hindered by the limited capacity of near-term hardware. To overcome this, we adapt a physics-informed "split-head" architecture right from the quantum trunk to explicitly decouple macroscopic lattice bounds from microscopic atomic coordinates, significantly maximizing resource efficiency. This study disentangles the contributions of quantum circuits from these architectural priors by evaluating a Split-Head Quantum Generative Adversarial Network against an architecture-matched classical ablation model. Evaluated on the highly constrained Mg-Mn-O system, the results reveal a highly nuanced performance dichotomy between the advanced models. The architecture-matched classical ablation model demonstrated superior thermodynamic precision. Conversely, the integration of quantum circuits in the SH-QGAN drove unparalleled structural breadth and latent space exploration, more than doubling the ablation's geometric validity and successfully generating novel, metastable candidates converging on the Mg2MnO4 stoichiometry. These findings clarify that while architectural separation of cell and atom generation drives strict thermodynamic precision, quantum feature mapping independently provides the spatial diversity necessary to overcome mode collapse. Both mechanisms offer distinct, complementary enhancements for the generative discovery of advanced materials.

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

PARSE: Provenance-Aware Retrieval Sanitization for Professional Domain LLM Agents

Authors:
Aaditya Pai↗

Prompt injection defenses evaluated on synthetic benchmarks do not generalize to real enterprise documents, which are longer, denser, and interleave legitimate authority language with factual content. We demonstrate this gap with a real-document benchmark of 122 tasks across five professional domains (financial, legal, medical, scientific, DevOps) using actual SEC filings, Federal Register rules, PubMed abstracts, arXiv papers, and GitHub postmortems. Paraphrasing, the strongest defense on synthetic benchmarks, shows no statistically significant attack success rate reduction on real documents (p=0.500) while degrading utility from 91.8% to 82.8%. We introduce PARSE (Provenance-Aware Retrieval Sanitization), a domain-aware, fact-preserving sanitization pipeline that classifies each sentence by injection likelihood, extracts structured facts before rewriting, and verifies fact preservation via a consistency-checking loop. A directiveness gate routes 59% of real enterprise documents to a lightweight path, concentrating computational cost on high-risk documents. PARSE achieves 15.6% attack success rate – a 38% reduction versus the 25.4% baseline – at 86.9% utility, the only condition that is both statistically significant (p=0.014, adequately powered) and maintains near-baseline utility. Practitioners should evaluate defenses on domain-matched real documents, not synthetic proxies.

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

Brick-DICL: Dynamic In-Context Learning for Automated Brick Schema Classification

Authors:
Yiyue Qian↗Shinan Zhang↗Huan Song↗Negin Sokhandan↗Hannah Marlowe↗Diego Socolinsky↗

arXiv:2606.17637v1 Announce Type: new Abstract: Building Management Systems (BMS) are essential for optimizing energy efficiency and operational performance in modern buildings. However, the lack of standardization across BMS points from different manufacturers creates significant barriers to integration and data utilization. While the Brick schema offers a standardized ontology for building systems, mapping BMS points to appropriate Brick classes presents three critical challenges: (i) the extensive number of Brick classes (936 in the latest version), (ii) limited domain-specific knowledge in large language models (LLMs), and (iii) substantial manual effort required for verification. To address these challenges, we propose Brick-DICL, a two-stage dynamic in-context learning framework for automated Brick schema classification. Brick-DICL consists of two primary components: metadata-RAG, which retrieves relevant examples to enhance LLMs' domain knowledge, and class-RAG, which narrows down potential Brick classes to address the large classification space. Additionally, we implement a multi-LLM filtering mechanism that compares predictions across multiple models, flagging low-confidence classifications for human review. As a result: (i) General: Brick-DICL is applicable to any building management system regardless of manufacturer or metadata format; (ii) Novel and Powerful: as the first dynamic in-context learning approach for Brick schema classification, Brick-DICL achieves significant classification accuracy improvements on building datasets, outperforming existing methods; (iii) Efficient: our multi-LLM filtering strategy reduces manual verification effort, enabling rapid digital building onboarding. Extensive experiments demonstrate Brick-DICL's effectiveness across diverse building datasets, accelerating the path toward standardized, interoperable building management systems.

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

Topological Flow Matching

Authors:
Kacper Wyrwal↗\.Ismail \.Ilkan Ceylan↗Alexander Tong↗

arXiv:2606.15897v1 Announce Type: cross Abstract: Flow matching is a powerful generative modeling framework, valued for its simplicity and strong empirical performance. However, its standard formulation treats signals on structured spaces, such as fMRI data on brain graphs, as points in Euclidean space, overlooking the rich topological features of their domains. To address this, we introduce topological flow matching, a topology-aware generalization of flow matching. We interpret flow matching as a framework for solving a degenerate Schrödinger bridge problem and inject topological information by augmenting the reference process with a Laplacian-derived drift. This principled modification captures the structure of the underlying domain while preserving the desirable properties of flow matching: a stable, simulation-free objective and deterministic sample paths. As a result, our framework serves as a drop-in replacement for standard flow matching. We demonstrate its effectiveness on diverse structured datasets, including brain fMRIs, ocean currents, seismic events, and traffic flows.

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

Convex training of Lipschitz-regularized shallow neural networks

Authors:
Chao Yin↗Antoine Lesage-Landry↗

arXiv:2606.19652v1 Announce Type: new Abstract: In this work, we introduce a training procedure for shallow neural networks that promotes robustness against adversarial attacks. We solve a non-convex Lipschitz-regularized training program by introducing a convex restriction that can be efficiently solved to global optimality. Our approach can be employed as a post-processing step by taking a pre-trained network as an initial solution to then solving the convex program whose optimal network is guaranteed to be no worse than the initial one. We illustrate the improvements of our training procedure with experiments using real world datasets for regression tasks under an adversarial setting. We show numerically that solving our proposed convex program yields networks with lower objective values on the Lipschitz-regularized program compared to existing methods. Additionally, we show that on certain datasets, networks obtained using our convex training program are both more accurate and robust with respect to adversarial attacks.

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

What's Old is New Again: Classical Dimensionality Reduction for Efficient Saliency-Guided Biometric Attack Detection

Authors:
Samuel Webster↗Walter Scheirer↗

Saliency-guided training is a paradigm in visual recognition that encourages models to focus on the most relevant image regions during learning. While its application in biometric presentation attack detection (PAD) has shown strong benefits in robustness and generalization, adoption is often limited by the high cost, domain specificity, and limited scalability of existing saliency acquisition methods, such as human annotations over a limited dataset. We present a novel, cost-efficient, and highly-scalable approach to saliency acquisition using maps inspired by classical dimensionality reduction techniques: PCA and LDA. Our proposed methods generate saliency maps directly from raw training data, requiring no human annotation nor domain knowledge. We contextualize the effectiveness of these saliency sources in three saliency-explored domains (iris PAD, synthetic face detection, fingerprint PAD) and demonstrate its scalability in two saliency-novel domains (fingerprint vein PAD and ID card PAD). Across all domains tested, models trained using dimensionality reduction-sourced saliency maps exceed baseline and sometimes SOTA saliency methods without any resource investment or domain-specific tooling. Our findings overcome an important yet unaddressed barrier to saliency-guided training for biometric attack detection and beyond.

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13.
medRxiv (Medicine) 2026-06-15

Specialty Choice Attitudes Among Medical Interns: Evidence from Hormozgan University of Medical Sciences

Authors:
Kashefi Sis↗Shendabadi↗Alimi↗Boushehri↗

Background: Choosing a medical specialty is a critical career decision that affects both physicians future professional lives and the composition of the healthcare workforce. Specialty preferences are shaped by multiple personal, educational, and socioeconomic factors, yet evidence from senior medical students in southern Iran remains limited. This study aimed to assess willingness to pursue specialty training among medical interns at Hormozgan University of Medical Sciences, identify their preferred specialties, and examine factors associated with their decisions. Methods: This descriptive-analytical cross-sectional study was conducted in 2023 among medical interns at Hormozgan University of Medical Sciences in Bandar Abbas, Iran. Using a convenience census approach, all eligible interns were invited to participate, and 83 students completed an online questionnaire. The instrument collected demographic, academic, and occupational data, as well as reasons for willingness or unwillingness to pursue specialty training and specialty preferences. Content and face validity were assessed by faculty members and students, and internal consistency reliability in the present study was acceptable (Cronbach alpha = 0.82). Data were analyzed using descriptive statistics and logistic regression in SPSS version 27. Results: Of the 83 participants, 50 (60.2%) reported willingness to pursue specialty training, while 33 (39.8%) did not. Among students willing to continue, the most frequently cited reasons were achieving a better economic position, broader job opportunities, and higher social status. Among those unwilling to continue, the most common reasons were fatigue from prolonged studying, financial problems, and the desire to start working after graduation. Radiology was the most common first-choice specialty, followed by otorhinolaryngology, dermatology, and cardiology. In regression analyses, no demographic or academic variable remained independently associated with willingness to pursue specialty training in the final multivariable model. Conclusions: A majority of medical interns were interested in pursuing specialty training, with preferences concentrated in a limited number of specialties perceived as offering favorable financial prospects, prestige, and lifestyle. Economic concerns and educational fatigue were the dominant factors influencing willingness and unwillingness to continue specialty education. These findings highlight the need for structured career counseling, broader exposure to different specialties, and policy measures to address financial and structural barriers to residency training. Keywords: medical specialty choice; medical interns; residency training; medical education; Hormozgan university of medical sciences

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

Learning Dynamics Reveal a Hierarchy of Weight-Induced Layerwise Gram Metrics

Authors:
Claudio Nordio↗

arXiv:2606.09744v3 Announce Type: replace Abstract: We study feed-forward ReLU networks with fixed readout and quadratic loss. The aim is to rewrite gradient descent not primarily as a dynamics in weight space, but as a collective dynamics closed in terms of fields defined on the training-set space. For a single hidden layer, the weight variables can be eliminated from the activation dynamics, yielding a closed equation for the residuals governed by a collective kernel that factorizes into an input-geometric matrix and a dynamical co-activation matrix. For deeper networks, the residual dynamics retains a clean layer-wise kernel structure. However, from depth three onward, closure requires a hierarchy of weight-induced Gram operators that mediate information transport across layers. Moreover, the conjugate-field dynamics is governed by operators satisfying a backward pullback recursion, of which the weight-induced Gram operators are the first nontrivial instances.

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

Transfer Learning for FHIR Questionnaire Terminology Binding

Authors:
Maxim Gorshkov↗

Electronic prior authorization workflows require FHIR Questionnaire items to carry LOINC codes, yet most items in the HL7 Da Vinci CDS-Library lack these bindings. We treat this as a retrieval problem: given a Questionnaire item's text, find the correct LOINC code in a pool of 97,314 active codes. We compare six methods (TF-IDF, frozen MiniLM, BioBERT, BioLORD, contrastively fine-tuned MiniLM, and a TF-IDF+GPT reranker) on a 54-item evaluation set spanning three query styles (natural question, medium, and terse). No single method wins on every metric. BioLORD, a frozen encoder pre-trained on biomedical ontology definitions, has the best top-rank accuracy (R@1 = 0.185, MRR = 0.246) despite seeing no task-specific data, while a contrastive fine-tune on raw LHC-Forms pairs takes R@5 (0.389) and R@10 (0.426). A distribution-shift ablation shows why the fine-tune in our main table is not the strongest one: adding GPT-generated paraphrases to the raw pairs drops R@5 from 0.389 to 0.296, so the augmented union underperforms raw-only training on every metric except R@1. Performance peaks at 5k training pairs. Error analysis on BioLORD's R@1 failures shows that wrong-specificity and ambiguous-text cases together account for 59% of errors.

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

Boosting Knowledge Graph Foundation Models via Enhanced Negative Sampling

Authors:
Yinan Liu↗Wenjin Xu↗Zhiyuan Zha↗Xiaochun Yang↗Bin Wang↗

arXiv:2605.27023v2 Announce Type: replace Abstract: Knowledge graphs (KGs) have become the core backbone of numerous downstream tasks such as question answering and recommender systems. However, despite all this, KGs are often very incomplete. To perform zero-shot knowledge graph completion in unseen KGs, which have different relational vocabularies from those used for pre-training, KG foundation models (KGFMs) receive a wide range of attention. Existing KGFMs often perform training using random negative triples, which are constructed by replacing the head or tail entity of a positive triple with a random entity. However, these negative triples are often constructed with limited quality, providing weak supervision for KGFM training. In this paper, we propose a simple yet effective adaptive negative sampling approach, KMAS, to enhance existing KGFMs. KMAS constructs hard negative triples through the updated relation embeddings generated from the existing KGFM's relation encoder. To further adaptively align with the evolving capability of the KGFM during the training process, KMAS adjusts the ratio of hard negative triples dynamically throughout the whole training process: after a warmup phrase, it increases the ratio linearly and then decreases linearly. Extensive experiments are conducted over 44 data sets. Experimental results demonstrate that our proposed negative sampling method can enhance many SOTA KGFMs without requiring excessive additional time or memory consumption.

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17.
arXiv (quant-ph) 2026-06-16

Weak continuous measurements require more work than strong ones

Authors:
Lorena Ballesteros Ferraz↗Cyril Elouard↗

arXiv:2502.09732v4 Announce Type: replace Abstract: Understanding the energy cost of quantum measurement process and its connection to the measurement performance faces the challenge of modeling the objectification process. The latter, turns the measurement result into an objective fact, available to independent observers, and is responsible for the measurement irreversibility. To address this issue, we propose and analyze a dynamical model of quantum measurement, able to capture nonideal (weak and inefficient) measurements. In this model, the objectification is induced by a contact with a macroscopic reservoir at equilibrium which is responsible for the redundant broadcast of the measurement outcome (producing a Spectrum Broadcast Structure (SBS) state) while inducing decoherence in the pointer basis, in the line of the theory of quantum Darwinism. We analyze the performance of the obtained measurement process by introducing figures of merit to quantify the strength of the measurement and its efficiency. We also derive and a lower bound on the measurement work cost that we can relate to the measurement quality. We take as an illustration the readout of a qubit via its coupling to a harmonic oscillator. We investigate the long sequences of extremely short and weak measurements (a.k.a continuous measurements), to find under which conditions they converge to an ideal (projective) measurement and analyze their work cost. Surprisingly, we find that a sequence converging to projective measurement has a much larger work cost than an equivalent strong measurement obtained from a single intense interaction with the apparatus. We extend this result to a large class of models owing to scaling arguments. Our analysis offers new insights into the trade-offs between measurement strength, energy consumption, and information extraction in quantum measurement protocols.

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18.
arXiv (math.PR) 2026-06-12

Averaging principles for nonautonomous multiscale McKean-Vlasov stochastic systems

Authors:
Jie Xiang↗Huijie Qiao↗

arXiv:2606.12820v1 Announce Type: new Abstract: This paper investigates a class of nonautonomous multiscale McKean-Vlasov stochastic systems. By leveraging the nonautonomous Poisson equation, we rigorously establish both strong and weak averaging principles, accompanied by explicit convergence rates. Notably, the coefficients of the averaging equations derived in the general case retain dependence on the scaling parameter $\varepsilon$. However, under the additional assumptions that the fast-scale coefficients are either asymptotically convergent or time-periodic, we demonstrate that the slow component converges, in the strong or weak sense, to averaging equations with coefficients independent of $\varepsilon$.

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

When Context Returns: Toward Robust Internalization in On-Policy Distillation

Authors:
Xun Wang↗Ruishuo Chen↗Zhuoran Li↗Yu Chen↗Longbo Huang↗

arXiv:2606.11627v1 Announce Type: cross Abstract: Recent work has shown that on-policy distillation can internalize privileged context, such as system prompts or task hints, into a student model so that the context is no longer needed at inference time. Although this approach successfully improves the student's no-context performance, we identify an interesting and previously unstudied phenomenon: in many settings, reintroducing the original privileged context to the distilled student actually degrades its performance, even on instances it already solves correctly without context. We term this context-induced degradation and argue that robust internalization demands not only matching the teacher's context-conditioned behavior, but also remaining stable when the context is reintroduced, a property we call context removability. Motivated by this observation, we propose a lightweight consistency regularizer that first anchors the student's no-context output via stop-gradient, then penalizes the context-conditioned output for deviating from it via forward KL divergence. This simple addition requires only one extra forward pass per training step, yet it effectively mitigates context-induced degradation and, in many cases, even improves no-context performance. Across 12 configurations spanning diverse domains and model families, our method improves context-conditioned accuracy in the majority of settings, reduces context-induced harm in 11 out of 12 settings, and effectively eliminates response-length inflation. A mechanistic case study further confirms that context removability is achieved at the representation level, with hidden states remaining nearly identical regardless of whether the context is present.

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20.
arXiv (CS.CV) 2026-06-19

TriFlow: Generating Artist-Like 3D Mesh Topology via Nearest-Vertex Vector Fields

Authors:
Haoxuan Li↗Ziya Erko\c{c}↗Daniele Sirigatti↗Vladislav Rosov↗Lei Li↗Angela Dai↗Matthias Nie{\ss}ner↗

We present TriFlow, a new generative approach for producing compact 3D meshes with artist-like triangle topology directly from input geometry conditions such as signed distance fields. Our key insight is to represent mesh topology as a nearest-vertex vector field (NVF) defined over the surface, where each point encodes its association to the nearest triangle vertex in the local barycentric frame. We train a latent flow-matching model to synthesize this field, enabling topology generation conditioned on the input geometry. To extract a coherent mesh, we cluster surface regions using the generated NVF and guide a constrained quadric error metric (QEM) mesh simplification with topology-aware optimization. This yields output meshes that closely match the input geometry while exhibiting structured, artist-like connectivity. Experiments demonstrate that TriFlow achieves stronger generalization and significantly improved topology quality compared to state-of-the-art learning-based approaches, alongside 90% lower Chamfer Distance and an 8x speedup.

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

Gradual Fine-Tuning for Flow Matching Models

Authors:
Gudrun Thorkelsdottir↗Arindam Banerjee↗

arXiv:2601.22495v2 Announce Type: replace Abstract: Fine-tuning flow matching models is a central challenge in settings with limited data, evolving distributions, or computational constraints. While recent work has produced significant advances, particularly in the area of reward-based fine-tuning, current methods fail to demonstrate both theoretical correctness as well as strong empirical results in terms of stability, efficiency, and diversity preservation. In this work, we propose Gradual Fine-Tuning (GFT), a simple yet principled annealing-based framework for fine-tuning flow generative models when only samples from the target distribution are available. For stochastic flows, GFT defines a temperature-controlled sequence of intermediate objectives that smoothly interpolate between the pretrained and target drifts, provably approaching the true target as the temperature approaches zero. We analytically demonstrate that sample generation after GFT can be made substantially more efficient with the use of arbitrary (e.g., optimal transport) couplings, as well as by utilizing few-step inference methods. Empirically, GFT significantly improves convergence stability, while maintaining or improving generation quality, training speed, and generation diversity compared to other fine-tuning methods. Our results position GFT as a simple yet theoretically grounded and practically effective alternative for scalable adaptation of flow matching models under distribution shift.

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

The Metric Picks the Winner: Evaluation Choice Flips Model Rankings for Drug-Response Prediction in Unseen Chemistry

Authors:
Dhruv Agarwal↗Riya Bisht↗

arXiv:2606.12639v1 Announce Type: new Abstract: Predicting how a cell's transcriptome responds to a drug it has never seen is a core, hard problem in computational cell biology: recent benchmarks show complex models often fail to beat trivial baselines once test compounds are held out by chemistry. We study one cell line and assay, THP-1 cells profiled by DRUG-seq, scored by the active-compound weighted MSE(wMSE) of the VCPI prediction contest. We propose a staged approach: dumb baselines (untreated control and mean training-compound response) that the field keeps failing to beat; non-parametric retrieval (a Tanimoto-weighted average of a held-out compound's nearest training compounds); and a fusion stage combining a frozen chemistry embedding with retrieval-support features to predict the residual over the mean, with an uncertainty head and gene programs. On the released VCPI THP-1 drug-seq data (14,026 training compounds), under a Bemis-Murcko scaffold split, the model ranking inverts depending on the metric. Under an inverse-variance per-gene proxy, a regularized linear regression on Morgan fingerprints appears to win over the deep models, retrieval, and ChemBERTa – the textbook "simple baselines win" result. But under the contest's true active-set metric (per-(gene, compound) Mejia weights, validated against the official scorer; mean baseline 0.535 vs the organizers' 0.507 reference), that reverses: the deep models win, our fusion decoder significantly beats the linear fingerprint baseline (-0.012 wMSE, paired bootstrap p < 10^-4), and the proxy's winner becomes the worst chemistry-aware predictor. Picking the metric picks the winner – to our knowledge the first demonstration on real held-out drug chemistry of the metric-calibration effect established largely on genetic perturbation. We release a reproducible pipeline wired to the official scorer that emits a valid submission over the real 1064 x 12,995 grid.

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23.
arXiv (CS.AI) 2026-06-17

Adaptive Domain Models: Bayesian Evolution, Warm Rotation, and Principled Training for Geometric and Neuromorphic AI

Authors:
Houston Haynes↗

arXiv:2603.18104v5 Announce Type: replace Abstract: Prevailing AI training assumes reverse-mode automatic differentiation over IEEE-754 arithmetic. The memory overhead of training relative to inference, optimizer complexity, and structural degradation of geometric properties through training are consequences of this arithmetic substrate. This paper develops an alternative training architecture grounded in three prior results: the Dimensional Type System and Deterministic Memory Management framework (Haynes 2026), which establishes stack-eligible gradient allocation and exact quire accumulation as design-time verifiable properties; the Program Hypergraph (Haynes 2026), which establishes grade preservation through geometric algebra computations as a type-level invariant; and the b-posit bounded-regime design (Jonnalagadda et al. 2025), which makes posit arithmetic tractable across hardware targets conventionally considered inference-only. Their composition enables depth-independent training memory bounded to approximately twice the inference footprint, grade-preserving weight updates, and exact gradient accumulation, applicable uniformly to loss-function-optimized and spike-timing-dependent neuromorphic models. We introduce *Bayesian distillation*, a mechanism by which the latent prior structure of a general-purpose model is extracted through the ADM training regime, resolving the data-scarcity bootstrapping problem for domain-specific training. For deployment, we introduce *warm rotation*, an operational pattern in which an updated model transitions into an active inference pathway without service interruption, with correctness formalized through PHG certificates and signed version records. The result is a class of domain-specific AI systems that are smaller and more precise than general-purpose models, continuously adaptive, verifiably correct with respect to the physical structure of their domains, and initializable from existing models.

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24.
arXiv (quant-ph) 2026-06-12

Testing the problem of time with cold atoms

Authors:
Giovanni Barontini↗

arXiv:2509.07745v3 Announce Type: replace-cross Abstract: We realize a cold-atom system to quantitatively test relational constructions of time. A well-isolated atomic Bose-Einstein condensate evolves in a conservative trap that is partitioned by a thin optical barrier into an observed and unobserved sector, with negligible dissipation on the experimental timescale. Motivated by relational-time approaches discussed in the Wheeler-DeWitt framework, we ask whether the dynamics of the observed sector can be ordered using only internal degrees of freedom. To this end, we construct an entropic time from an experimentally defined coarse-grained entropy, and demonstrate that it can robustly order the events in the observed sector across repeated cycles of expansion and recollapse. We finally derive an effective Schroedinger equation parameterized by this internal time and show that it is able to reproduce the measured evolution. These results establish a controlled experimental setting in which relational-time constructions can be quantitatively tested.

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