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01.
arXiv (CS.LG) 2026-06-16

Convergence Rate Analysis of the AdamW-style Shampoo: Unifying One-Sided and Two-Sided Preconditioning

arXiv:2601.07326v4 Announce Type: replace-cross Abstract: This paper studies AdamW-style Shampoo, an effective variant of the classical Shampoo that won the external tuning track of the AlgoPerf neural network training competition. Our analysis unifies one-sided and two-sided preconditioning. When the exponents of the two preconditioners sum to $1/2$, we establish the convergence rate $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_*\right]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$, where $K$ represents the number of iterations, $(m,n)$ denotes the dimensions of the matrix-valued parameters, and $C$ matches the constant appearing in the optimal convergence rate of SGD. Theoretically, the nuclear norm and Frobenius norm satisfy $||\nabla f(X)||_F\leq ||\nabla f(X)||_*\leq \sqrt{\min\{m,n\}}||\nabla f(X)||_F$, which suggests that our convergence rate is analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_F\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case where $||\nabla f(X)||_*= \Theta(\sqrt{\min\{m,n\}})||\nabla f(X)||_F$ and $m$ and $n$ are of comparable magnitude. Then, we extend our analysis to settings where the preconditioning exponents do not sum to 1/2, and establish convergence with an explicit but more involved rate.

02.
arXiv (quant-ph) 2026-06-12

Reduced basis algorithm for solving nonlinear differential equations on quantum computers

arXiv:2606.13457v1 Announce Type: cross Abstract: As quantum computing moves toward scientific computing applications, nonlinear differential equations remain a central challenge since quantum evolution is intrinsically linear. In this work, we introduce a reduced basis algorithm (RBA) for polynomial nonlinear ordinary differential equations (ODEs) and spatially discretized partial differential equations (PDEs). After time discretization, the method composes the resulting polynomial update map over $m$ timesteps, identifies the reduced monomial basis appearing in this composed map, and constructs a linear RBA operator whose action recovers the exact $m$-timestep nonlinear dynamics. Thus, at the level of the chosen discrete update rule, the method introduces no additional approximation error beyond the time discretization error. The qubit number requirement is governed by the size of the reduced monomial basis. For an $n$-dimensional polynomial ODE system of degree $p>1$, the lifted register requires at most $q_m^{\mathrm{ODE}} = O(nm\log p)$ qubits in the full basis scenario. For PDEs discretized on $N^D$ grid points, a locality-based construction requires at most $q_m^{\mathrm{PDE}} = O(D\log N + n m^{D+1}\log p)$ qubits. Hence, the dependence on the grid size remains logarithmic, while the nonlinear overhead is controlled by local reduced basis size. The main computational burden is moved from the quantum computer to a classical preprocessing step, where the reduced monomial basis and RBA operator are constructed for the chosen timestep window. Through numerical tests on the Lorenz system and the one-dimensional Burgers equation, we verify that the RBA reproduces the corresponding discrete time nonlinear dynamics exactly, while exposing the trade-off between timestep composition, reduced basis growth, and locality.

03.
arXiv (CS.CL) 2026-06-16

Multimodal Evaluator Preference Collapse: Cross-Modal Contagion in Self-Evolving Agents

Authors:

When AI agents use language models to evaluate their own outputs in a feedback loop, systematic biases emerge. We show that Evaluator Preference Collapse (EPC) is dramatically amplified in multimodal settings. Using GPT-4o to evaluate DeepSeek-chat across text and visual tasks, we find that a single strategy (step_by_step) absorbs 48.4% of all weight – 3.2x the collapse observed in text-only self-evaluation – while three visual-domain strategies receive only 9.1% combined weight. We then demonstrate a novel phenomenon we term cross-modal contagion: evaluator preferences acquired on one modality transfer to and corrupt strategy selection on another. Through a four-phase isolation training paradigm, we measure contagion coefficients and document strategy inversion – the optimal strategy for a modality reverses after cross-modal exposure. A Phase 3 statistical validation across four evaluator configurations (N=53 total independent repetitions, 15,592 API calls) reveals a clear hierarchy: cross-model evaluation (GPT-4o, N=8) produces strong but symmetric bidirectional contagion (mean gamma_{T->V}=1.176, gamma_{V->T}=1.089, Delta=-0.088, p=0.575, Cohen's d=0.29); high round counts (DashScope, 50 rounds) cause collapse to single-strategy dominance (70% zero contagion); and self-evaluation provides near-complete immunity – 97% of runs (N=30, DeepSeek-chat) yield exactly zero contagion (mean gamma=0.033, 95% CI [-0.031, 0.010], p=0.642, d=0.07). No evaluator condition shows statistically significant directional asymmetry. We introduce the contagion matrix indexed by evaluator identity, release the MM-EPC experimental framework, and identify cross-model evaluator architecture as the primary risk factor for preference contagion.

04.
arXiv (quant-ph) 2026-06-16

A short proof of the modified Kretschmann-Schlingemann-Werner conjecture

Authors:

arXiv:2606.16418v1 Announce Type: new Abstract: Let $\Phi_1, \Phi_2 : \mathbb{M}_d(\mathbb{C})\to \mathbb{M}_n(\mathbb{C})$ be two quantum channels with respective Stinespring isometries $V_1, V_2 : \mathbb{C}^{d}\to \mathbb{C}^{n} \otimes \mathbb{C}^{m}$ on any common dilation space $\mathbb{C}^{m}$. We prove that there exists a unitary $U$ on $\mathbb{C}^{m}$ such that $\|V_1-({\bf1}\otimes U)V_2\|_\infty\leq\sqrt{2\|\Phi_1-\Phi_2\|_\diamond},$ thus resolving vom Ende's modification of the Kretschmann-Schlingemann-Werner conjecture in the affirmative.

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

PromptShift-CRC: Drift-Aware Conformal Risk Control for Foundation Models Under Prompt and Domain Shift

arXiv:2606.15964v1 Announce Type: cross Abstract: Foundation models are now used in settings where the prompts they receive can change quickly. Users change, topics change, policies change, and the model may suddenly face a kind of request that was rare in the calibration data. This makes fixed calibration risky. Conformal prediction and conformal risk control give model-agnostic ways to control error, but they work best when the calibration data still look like the future data. This paper develops PromptShift CRC, a drift-aware conformal risk control method for foundation-model outputs under prompt and domain shift. The method embeds prompts and responses, measures how far the current prompt stream has moved from the calibration pool, gives more weight to relevant or recent calibration examples, and updates the risk level online after observed violations. It reports three practical diagnostics: realized risk error, prompt drift, and effective calibration size. We give conditions under which the method controls risk up to terms for distribution mismatch and weighted quantile uncertainty. In a synthetic prompt-shift benchmark, static conformal risk control fails sharply after drift, while PromptShift-CRC gives the best coverage among the adaptive baselines considered. We then evaluate the same calibration layer on public benchmark derived streams for question answering, toxicity, summarization factuality, and long-context hallucination risk

06.
medRxiv (Medicine) 2026-06-22

MinderCare: protocol for a mixed-methods evaluation of a digitally enabled dementia care service.

Introduction and aims Dementia is a growing public health challenge affecting millions of people worldwide. It is a progressive condition that increases the risk of infections, falls, hospital admissions, dependence in activities of daily living, safety issues such as wandering, care home transfers, and death. New ways of supporting people living with dementia (PLWD) at home are urgently needed. We describe the MinderCare study which evaluates a digitally enabled care model that integrates low-burden sensor-based remote monitoring within a nurse-led clinical service. Methods and analysis In this mixed-methods study, we will recruit 100 people with confirmed or suspected dementia living at home and deploy the Minder remote monitoring system for at least 12 months. A detailed characterisation of the cohort will be obtained, including cognition, frailty, participant and carer wellbeing, functioning, and quality of life. The feasibility, acceptability, sustainability, and resource requirements of the service will also be assessed. Low-cost sensors provide information about behaviour, environment and physiology from the home. Machine-learning algorithms have been used to develop digital biomarkers of infection, sleep, night-time behaviours, daily activities and routines, and the effects of clinical events and treatment. These will be assessed through clinical reports of sensor-derived data that include anomaly alerts provided to the clinical teams. Algorithms will be assessed for their clinical utility and acceptability. The comparative-effectiveness component will be designed as a target trial emulation using linked electronic health-record data to construct a time-indexed external usual-care control cohort. The primary comparative outcome will be Days Alive and Out of Hospital (DAOH) over 12 months from the activation-index date, with healthcare utilisation, costs, institutionalisation and mortality assessed as secondary outcomes. DAOH and estimated MinderCare effects will also be examined across prespecified strata of baseline inpatient utilisation. Ethics and dissemination Ethical approval has been granted by the North East Newcastle and North Tyneside 2 Research Ethics Committee, and the study has received confirmation of capacity and capability by the Imperial College Healthcare NHS Trust. Study findings will be disseminated to patients, health and social care professionals, and policymakers through peer-reviewed publications and conference presentations. Study registration number: ISRCTN14997677 and NIHR portfolio CPMSID 63023.

07.
bioRxiv (Bioinfo) 2026-06-18

novelBGC: An interactive dual-score framework for biosynthetic gene cluster novelty assessment and candidate prioritisation

Genome mining now yields tens of thousands of putative biosynthetic gene clusters (BGCs) per project, yet, separating genuinely novel candidates from rediscoveries of known compounds remains the rate-limiting step before experimental validation. Single-axis prioritisation tools, antiSMASH similarity, BiG-FAM GCF distance, and self-resistance-enzyme (SRE) filters such as ARTS, each surface a different facet of evidence, yet their isolated use systematically over-ranks rediscovery-prone BGCs and overlooks genuinely orphan clusters. We present novelBGC, a web-hosted framework that converts these disparate outputs into two deliberately non-inverse continuous metrics per BGC, a Novelty (N) and a Reference Similarity (RS) score which together define a 2D decision plane that resolves rediscoveries, divergent family members, contig-edge artefacts, and uncharted chemistry with interactive visualisations, with all component weights user-tuneable at submission. Retrospective validation across three independent experimental datasets demonstrates the utility of the framework for candidate prioritization. Within the first 186-BGC SRE-guided cloning study, every confirmed bioactive product fell within the low-to-mid N band whereas 55 high-N (N [≥] 0.50) BGCs were never selected. Moreover, in the other two studies, it correctly prioritised the fully orphan lariocidin BGC of Paenibacillus sp. M2 and the divergent within-family indanopyrrole-A idp BGC of Streptomyces sp. CNX-425. Together, these case studies demonstrate that the joint (N, RS) space facilitates prioritization decisions that are difficult to achieve using any single criterion alone. from identical input data. novelBGC requires no command-line expertise, no local tool installation, and no manual integration of intermediate output formats, addressing a well-documented accessibility barrier for wet-laboratory researchers engaging with genome-mining workflows. novelBGC is freely available at https://project.iith.ac.in/sharmaglab/novelbgc/.

08.
arXiv (CS.LG) 2026-06-19

Capturing Intransitive Dominance in Tennis Forecasting: A Graph Neural Network Approach

arXiv:2510.20454v2 Announce Type: replace Abstract: Intransitive player dominance, where player A beats B, B beats C, but C beats A, is common in competitive tennis. Yet, there are few known attempts to incorporate it within forecasting methods. We address this problem with a graph neural network approach that explicitly models these intransitive relationships through temporal directed graphs, with players as nodes and their historical match outcomes as directed edges. Our model (65.7% accuracy, 0.214 Brier score) forecasts competitively with established rating systems such as Weighted Elo. Although it does not improve on the baseline in unconditional accuracy, a forecast-encompassing test shows that it carries complementary information. A combined forecast significantly outperforms Weighted Elo, and there is some indication that the gain grows more strongly on the intransitive matchups our model targets. A graph-based representation of player interactions thus captures a forecasting signal that transitive rating systems discard, even between players who share no common opponents.

09.
arXiv (math.PR) 2026-06-11

On the structure of the sandpile identity element on Sierpinski gasket graphs

arXiv:2603.12006v2 Announce Type: replace-cross Abstract: We consider the identity of the abelian sandpile group of finite approximation graphs of the Sierpinski gasket, and we show that the second-order term in the scaling limit converges to the path distance to the nearest corner on the Sierpinski gasket. The proof relies on a decomposition of the identity of the sandpile group into the sum of a constant function and the Laplacian of the graph distance on the approximating graphs.

10.
arXiv (quant-ph) 2026-06-16

Measuring Non-Stabilizerness in an SU(2) Lattice Gauge Theory

arXiv:2606.14842v1 Announce Type: new Abstract: One of the goals of quantum simulation is to provide novel insights into quantum systems, such as the gauge theories that are relevant for high-energy and nuclear physics. Recent years have seen rapid improvements in both the hardware and software necessary for these simulations. A central consideration in the design of such simulations is the quantum complexity of a given quantum state. This work takes a step towards studying a specific kind of complexity, namely the non-stabilizerness, in a simple yet non-trivial system: SU(2) lattice gauge theory of two plaquettes. The non-stabilizerness of low-energy eigenstates is studied and the implications for quantum simulations are discussed. The real-time evolution of this system is simulated on ibm_marrakesh and the non-stabilizerness is measured using a random measurement protocol. New techniques enhancing the efficiency of this protocol are developed, including both a new way to calculate the estimator for non-stabilizerness and a flexible error mitigation technique called Bit String Decoherence Renormalization. This mitigation method is central to accurately resolving the experimental time dependence of non-stabilizerness, and is anticipated to have broad applicability in digital quantum simulations.

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

VigilFormer: Deformable Attention for Video Anomaly Detection with Causal Risk Inference

Authors:

Video anomaly detection in surveillance settings must balance detection accuracy against real-time throughput, a tension that existing methods address either through stronger feature extractors or more efficient architectures, but rarely both. We present VigilFormer, a unified framework that combines deformable spatio-temporal attention with causal temporal modeling to detect anomalies in untrimmed surveillance video. The proposed Deformable Spatio-Temporal Encoder (DSTE) attends to a sparse set of informative locations across frames, avoiding the quadratic cost of dense attention while retaining the ability to capture irregular motion patterns. A Causal Anomaly Classifier (CAC) applies dilated causal convolutions over snippet-level features and optimizes a contrastive multiple-instance learning objective that separates anomalous and normal representations without frame-level labels. To meet deployment constraints, an Adaptive Confidence Scheduler (ACS) dynamically skips low-information frames at inference time, reducing redundant computation in static scenes. Evaluated on UCF-Crime, ShanghaiTech, and CUHK Avenue, VigilFormer achieves AUC scores of 87.83%, 97.21%, and 89.74% respectively, at 41.5 FPS on a single GPU, outperforming recent weakly-supervised methods in both accuracy and speed.

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

Will AI Agents Free Us From Meaningless Work? A Human-Centered Analysis

arXiv:2606.12430v1 Announce Type: cross Abstract: Some claim that AI agents will free workers from the boring parts of their jobs, yet little is known about how workers themselves identify which tasks should be automated. Prior research focuses on occupations, overlooking that workers experience varying levels of meaning across tasks within the same role. We address this gap with a task-level analysis grounded in Graeber's theory of bullshit jobs. Using ratings from 202 workers on 171 workplace tasks, we (1) validate a five-item scale of perceived bullshitness, (2) show that perceived bullshitness strongly predicts desire for AI delegation, and (3) find that such tasks are also seen as requiring less human oversight. Together, these findings suggest that tasks perceived as bullshit are natural candidates for AI delegation, aligning worker preferences with perceived feasibility.

13.
arXiv (CS.AI) 2026-06-18

Enhancing Fatigue Detection through Heterogeneous Multi-Source Data Integration and Cross-Domain Modality Imputation

arXiv:2507.16859v5 Announce Type: replace-cross Abstract: Fatigue detection for human operators is important in safety-related applications such as aviation, mining, and long-haul transport. Reliable estimation of operator fatigue can support timely warnings, adaptive task scheduling, takeover reminders, and other safety-management decisions in human-machine systems. However, the effectiveness of these functions depends on whether fatigue-related signals can be reliably captured in the deployment environment. While many studies have shown the value of high-fidelity sensors in controlled laboratory environments, their performance often degrades when used in real-world settings because of noise, lighting conditions, and field-of-view constraints, thereby limiting their practical use. This paper formalizes a deployment-oriented setting for real-world fatigue detection, where high-quality sensors are often unavailable in practical applications. To address this issue, we use knowledge from heterogeneous source domains, including high-fidelity sensors that are difficult to deploy in the field but commonly used in controlled environments, to assist fatigue detection in the real-world target domain. Based on this idea, we design a heterogeneous and multi-source fatigue-detection framework that uses the available modalities in the target domain while leveraging diverse configurations in the source domains through cross-domain modality imputation based on shared modalities.

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

HydraHead: From Head-Level Functional Heterogeneity to Specialized Attention Hybridization

The quadratic complexity of attention poses a critical bottleneck for long-context processing, spurring interest in hybrid attention designs. Most open-source hybrid models adopt a layer-wise strategy. Yet, prior work has noted the inherent difficulty of integrating Linear Attention (LA) with Full Attention (FA), suggesting that the design space of attention hybridization remains underexplored. To probe this space, we conduct interpretability analysis and observe that layers exhibit block-wise functional similarity, while individual heads within the same layer display distinct functional specialization despite sharing input features. This head-level heterogeneity suggests that the head dimension provides a natural and principled granularity for fusing heterogeneous attention signals. Building on this insight, we introduce HydraHead, a novel architecture that hybridizes FA and LA along the head axis. HydraHead features two key innovations: (1) an interpretability-driven selection strategy that identifies retrieval-critical heads and preserves FA only for them, and (2) a scale-normalized fusion module that reconciles the distributional gap between FA and LA head outputs. By leveraging a three-stage transfer pipeline with parameter reuse and distillation, we achieve high-performance hybrid models with minimal training overhead. Under a unified training setup, HydraHead outperforms other hybrid designs in long-context tasks while maintaining strong general reasoning. With interpretability-driven head selection, it matches a 3:1 layer-wise hybrid's long-context performance at a 7:1 LA-to-FA ratio. Crucially, trained on only 15B tokens, HydraHead achieves over 69% improvement over the baseline at 512K context length, approaching Qwen3.5, a leading model of comparable size with a native context length of 256K. This highlights the significant scaling potential of head-level hybridization.

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

MOLAR: Learning Multimodal Molecular Representations from Noisy Labels

arXiv:2606.18390v1 Announce Type: new Abstract: Motivation: Noisy labels are a common challenge in molecular property prediction because molecular annotations are often obtained from assays, curated databases, or weak annotation pipelines rather than directly observed clean biological states. Treating recorded labels as reliable supervision can cause models to memorize corrupted observations and learn misleading molecular evidence. In multimodal molecular representation learning, this issue can be amplified by graph-text fusion or alignment, which may propagate label-induced errors across modalities. Results: We propose MOLAR, a noise-aware framework for learning multimodal molecular representations from noisy labels. MOLAR separates latent clean-property inference from recorded-label observation: graph and text views contribute residual evidence to a clean-property distribution, and a categorical label-observation channel maps this distribution to recorded labels for training. This formulation derives posterior label reliability and modality-specific molecular evidence from the model. Experiments on naturally noisy molecular benchmarks and controlled label-flipping benchmarks show that MOLAR consistently outperforms representative baselines. Visualization analyses further show that MOLAR provides interpretable reliability and modality-evidence diagnostics.

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

Mixtures of Subspaces for Bandwidth Efficient Context Parallel Training

arXiv:2606.16384v1 Announce Type: new Abstract: Pretraining language models with extended context windows enhances their ability to leverage rich information during generation. Existing methods split input sequences into chunks, broadcast them across multiple devices, and compute attention block by block which incurs significant communication overhead. While feasible in high-speed clusters, these methods are impractical for decentralized training over low-bandwidth connections. We propose a compression method for communication-efficient context parallelism in decentralized settings, achieving a remarkable compression rate of over 95\% with negligible overhead and no loss in convergence. Our key insight is to exploit the intrinsic low-rank structure of activation outputs by dynamically constraining them to learned mixtures of subspaces via efficient reparameterizations. We demonstrate scaling billion-parameter decentralized models to context lengths exceeding 100K tokens on networks as slow as 300Mbps, matching the wall-clock convergence speed of centralized models on 100Gbps interconnects.

18.
arXiv (CS.AI) 2026-06-17

A Neuromorphic Trigger for Efficient Audio Event Detection

arXiv:2606.17775v1 Announce Type: cross Abstract: Efficient processing of continuous audio streams remains a key challenge for real-time and resource-constrained systems. This paper introduces a neuromorphic trigger for audio event detection, based on a spiking neural network (SNN) that selectively gates input to downstream models. The proposed trigger acts as a low-cost front-end, identifying salient audio segments and forwarding only these to a more computationally intensive model for tasks such as classification. The trigger is implemented as a lightweight fully connected SNN and evaluated on two representative tasks: Anomalous Sound Detection (ASD) and Sound Event Detection (SED). For ASD, the trigger achieves a one-second segment-based F1 score of 0.97 on a class-agnostic form of the URBAN-SED dataset, demonstrating high reliability in identifying relevant audio regions. For SED, the trigger is combined with the Dang classifier on the DCASE 2017 Challenge Task 2 dataset, showing a potential $42.6\times$ reduction in FLOPs while reducing the lower bound of the event-based error rate from 0.41 to 0.25. These results highlight the potential of neuromorphic triggers as real-time, energy-efficient front-end filters, enabling substantial reductions in computational cost.

19.
arXiv (CS.CV) 2026-06-16

FairGen: Preference-Aligned Diffusion for Demographically Equitable Medical Image Synthesis

Medical imaging is central to modern diagnostics, and artificial intelligence (AI) systems are increasingly used to support image-based analysis by improving efficiency, accuracy, and access to care. However, inequities in healthcare access and differential disease prevalence create severe demographic imbalances in clinical image data. Such imbalances are compounded by the fact that diseases can manifest with distinct features across demographic groups, rendering certain phenotypic presentations naturally rare. AI models trained on such imbalanced data risk perpetuating diagnostic bias and widening healthcare disparities. Here we introduce FairGen, a fairness-aware diffusion framework that synthesizes demographically balanced medical images while preserving pathology-relevant visual features. By embedding physician-aligned preferences into the generation process, FairGen improves subgroup coverage during synthesis and downstream classification. Applied to dermatology, radiology, and neuroimaging benchmark tasks, FairGen achieves fairness improvements of 95.9% for skin images, 80.0% for chest radiography, and 35.2% for brain MRI, while maintaining competitive diagnostic accuracy relative to models trained on original clinical data. Clinician-facing expert review and external validation on independent cohorts further support that these gains extend beyond standard fidelity metrics and are not confined to the original in-distribution datasets.

20.
arXiv (CS.LG) 2026-06-12

Plan, Don't Pose: Long Composite Motion Generation with Text-Aligned BFM

arXiv:2605.29906v2 Announce Type: replace Abstract: Text-to-motion (T2M) generation has broad applications in character animation, virtual avatars, and human-robot interaction. Existing methods typically generate pose trajectories or motion tokens directly from language, forcing a single model to handle semantic interpretation, long-horizon structure, and low-level physical realization. This coupling makes them costly and often unreliable for long, compositional, or semantically dense prompts. We propose Text2BFM, the first framework that aligns natural language with pretrained Behavioral Foundation Models (BFMs) for T2M generation without relying on heavy end-to-end motion generators. Text2BFM operates in the latent policy space of a frozen BFM, using it as an executable motion prior. A text-aligned variational behavioral bottleneck compresses BFM policy-latent sequences into compact motion representations that are compatible with language and preserve long-horizon behavioral structure. Generation is performed in this compact behavioral manifold with a lightweight conditional generator, and the resulting latent encoded behaviors are decoded into policy latents that drive the pretrained frozen BFM. By decoupling semantic planning from motion execution, Text2BFM achieves efficient, robust T2M generation and strong performance on long, compositional textual descriptions.

21.
arXiv (CS.LG) 2026-06-11

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

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

22.
arXiv (CS.LG) 2026-06-17

The Morse Transform for Discrete Shape Analysis

arXiv:2503.04507v2 Announce Type: replace-cross Abstract: The geometry of an object plays a vital role in modulating its interactions with the physical world. It nevertheless remains difficult to describe geometric information numerically for the purposes of statistical inference or classification tasks. Here, we introduce a new topological transform which leverages directional piecewise-linear Morse theory to quantify the geometry of an embedded object by cataloguing critical points across multiple height-functions. The output of this Morse transform records both the heights and the local topological type (peak, trough or saddle) of the critical points that characterise the underlying shape, retaining finer information than the Euler characteristic transform whilst naturally prioritising a shape's outermost regions. Crucially, this output can be further compressed into a rich but compact feature vector. We benchmark the Morse feature vector as a descriptor for ligand-based virtual screening (LBVS), which intrinsically depends on the shape of molecules. Under a common gradient-boosted tree classification pipeline, Morse descriptors achieve the highest mean AUROC when compared to other topological transform descriptors and to standard shape-based LBVS descriptors.

23.
arXiv (CS.CL) 2026-06-18

Continual Adaptation for Pacific Indigenous Speech Recognition

Speech foundation models struggle with low-resource Pacific Indigenous languages because of severe data scarcity. Furthermore, full fine-tuning risks catastrophic forgetting. To address this gap, we present an empirical study adapting models to real-world Pacific datasets. We investigate the impact of data volume, adaptation strategies, and representational drift on speech foundation models for various Pacific languages. Additionally, we analyze a continual learning framework for sequential language acquisition. Empirical results across three distinct Pacific Indigenous languages demonstrate that adapting to these linguistically distant languages induces severe internal representational drift. Consequently, these models face a strict plasticity and stability dilemma. While LoRA adapts well initially, it suffers from catastrophic forgetting during sequential learning. Ultimately, this study highlights the urgent need for robust adaptation strategies tailored to underrepresented languages.

24.
arXiv (quant-ph) 2026-06-17

Pulse-optimised circuit elements for scalable and noise-resilient quantum chemistry

arXiv:2606.17357v1 Announce Type: new Abstract: Useful chemistry calculations on near-term quantum processors are hindered by current algorithmic runtimes. We develop a methodology to significantly reduce these runtimes. Typically, variational quantum eigensolver (VQE) algorithms are implemented as sequences of primitive gates. Our methodology instead relies on gradient-ascent pulse engineering to construct hardware-tailored pulses for the direct implementation of VQEs. As problem sizes increase, it quickly becomes intractable to optimise a pulse that implements an entire VQE ansatz circuit. However, leading VQEs are constructed in a modular fashion. A problem-tailored VQE is assembled from parameterised circuit elements that simulate hopping between two or four electronic spin orbitals. We show that these circuit elements can be implemented more efficiently using hardware-tailored pulses. We numerically demonstrate our methodology on a silicon spin-qubit quantum processor. We find that common circuit elements, known as single- and double-qubit excitations, can be implemented in less than 289 ns and 927 ns, respectively. Compared with conventional gate-based implementations, our pulse-accelerated qubit excitations provide a scalable approach for faster and therefore more noise-robust quantum chemistry simulations by reducing VQE runtimes by up to a factor of 15.3.

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

SAFE-Cascade: Cost-Adaptive Vision-Language Routing for Chart Question Answering

Vision-language models (VLMs) are powerful for chart question answering, but invoking a VLM for every query can be unnecessarily expensive when many questions are answerable from OCR text and lightweight language reasoning. We demonstrate SAFE-Cascade, an interactive system for cost-adaptive chart question answering. Given a chart image and a natural-language question, SAFE-Cascade first extracts chart text with OCR, obtains a provisional answer from a text-only language model, and then uses a learned router to decide whether to accept the text answer or escalate to a VLM. The demo exposes this decision process to users: OCR evidence, text-only answer, routing probability, escalation decision, final answer, estimated cost, and estimated latency are shown side by side. SAFE-Cascade is designed as a transparent interface for understanding when visual grounding is actually needed. Users can upload or select charts, ask questions, inspect the evidence used by each pathway, compare text-only and VLM answers, and adjust the escalation threshold to explore the accuracy-cost frontier. The system is implemented with Azure Document Intelligence for OCR, gpt-5-mini as the text-only model, gemini-2.5-flash-image as the VLM, and a Random Forest router trained on inference-time features. On a held-out ChartQA test split of 375 examples from a 2,500-example experiment, SAFE-Cascade achieves 69.1% unified accuracy with 73.1% VLM invocation, compared with 67.7% accuracy and 100% VLM invocation for the full-VLM baseline. The observed +1.4 percentage-point difference is statistically uncertain, so we interpret SAFE-Cascade as matching full-VLM performance while reducing VLM calls by 26.9% and estimated cost by 9.3%. The demonstration shows how selective modality routing can make multimodal knowledge systems more transparent, tunable, and cost-aware.