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

From 2D Grids to 1D Tokens: Reforming Shared Representations for Multimodal Image Fusion

Multimodal image fusion aims to integrate complementary information from different modalities into a fused image that preserves rich local details while maintaining globally consistent appearance. Existing approaches build shared representations on 2D feature grids, which excel at modeling local structures but offer limited leverage over image-level global appearance factors. To balance these objectives, we introduce a compact 1D token interface based on a frozen pretrained image tokenizer for modeling non-local appearance/base factors. Rather than using the tokenizer as a reconstruction backbone, our design uses the 1D token space as a global carrier while retaining the 2D spatial pathway for local structure restoration. Specifically, we introduce Selective Token Editing (STE), which sparsely updates/replaces a small set of critical tokens, providing a lightweight mechanism to steer global appearance coherence while keeping the fusion backbone unchanged and avoiding extra losses. Experiments on four commonly used benchmarks show that our method achieves the best overall performance, with consistent, multi-metric improvements in both global coherence and local fidelity. Project page: https://zju-xyc.github.io/1D-Fusion-Project-Page/

02.
arXiv (CS.CL) 2026-06-18

LLMZero: Discovering Adaptive Training Strategies for RL Post-Training via LLM Agents

RL post-training strategies are dataset-dependent and reveal a recurring empirical pattern: capacity parameters accumulate monotonically across stages, while regularization parameters predominantly oscillate in response to shifting training dynamics. This distinction matters because fixed schedules commit all parameters to fixed trajectories and therefore cannot express the non-stationary exploration-exploitation tradeoffs that regularization must track; the principle provides actionable design rules for multi-stage training. We discover this through LLMZero, a system where LLM agents search over training trajectories via tree search, diagnosing pathologies at each checkpoint and proposing coordinated multi-parameter transitions. Across 4 diverse GRPO tasks, LLMZero discovers strategies that improve over the base model by 9% to 140% relative and over grid search by 6% to 15% relative, consistently outperforming random search and the skill-based agent. The structural principle transfers across tasks, providing an explanation for why discovered strategies take qualitatively different forms yet share similar parameter dynamics.

03.
bioRxiv (Bioinfo) 2026-06-11

GeroQubit: a lightweight, honesty-first de-novo design platform for geroscience-native small molecules with calibrated uncertainty

作者:

Computational molecule generation has outpaced its own credibility. We present GeroQubit, a GPU-free de-novo design platform that organizes candidates along a target x tissue x hallmark model and reports every signal alongside its measured baseline. We treat our tissue aging-signature readout as a mechanistic structural prior that we explicitly disclose is not validated against lifespan, and we surface efficacy only through a structure-to-lifespan k-NN whose weak but real signal (leave-one-out rho ~ 0.145) is wrapped in empirically-calibrated conformal intervals (90% target, 90.3% measured coverage). On a held-out retrospective recovery of ~1,940 ChEMBL binders against decoys, the score reaches ROC-AUC 0.945 with ~20x enrichment at 1% (BEDROC 0.91) and survives a scaffold-disjoint split - yet we report that it collapses to near-random (AUC 0.62) on genuinely novel chemotypes. Molecules are assembled reaction-first, so every candidate carries a verified synthetic route and atom-level synthon provenance; ADMET is handled as a multi-objective Pareto problem. We frame the disclosed weak signals and the hard-case failures not as flaws but as the honest, decision-useful output the field's own critics demand.

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

Automated jailbreak attack targeting multiple defense strategies

arXiv:2606.16751v1 Announce Type: cross Abstract: Large language models (LLMs) have demonstrated remarkable capabilities across a wide range of tasks. However, their safety remains a critical concern due to their susceptibility to adversarial prompt-based attacks. In this paper, we present UNIATTACK, an adversarial testing framework designed from a defense-oriented perspective to systematically construct effective black-box attack prompts. Unlike prior approaches that rely on static templates or iterative model-specific tuning, UNIATTACK extracts minimal but high-impact attack features from diverse existing attacks, optimizes them via a specialized attacker LLM, and composes them into flexible templates through automated refinement process. This feature-centric construction enables one-shot attacks that generalize across multiple models and safety categories, providing a practical tool for assessing LLM robustness. Our evaluation results shows that compared to the baselines, UNIATTACK achieves an average attack success rate (ASR) improvement of 64.63\%-248.82\% on models deployed with multi-layered defense mechanisms and it only takes 0.03\%-4.96\% cost of the baselines. UNIATTACK artifact is available at https://anonymous.4open.science/r/UniAttack-Artifact-30F1.

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

Ling and Ring 2.6 Technical Report: Efficient and Instant Agentic Intelligence at Trillion-Parameter Scale

Efficient and scalable agentic intelligence requires models that can deliver both low-latency responses and strong reasoning capabilities while remaining practical to train, serve, and deploy. In this report, we present Ling-2.6 and Ring-2.6, a family of models designed to address this challenge at scale. Ling-2.6 is optimized for instant response generation and high capability per output token, whereas Ring-2.6 is tailored for deeper reasoning and more advanced agentic workflows. Instead of training from scratch, we upgrade the Ling-2.0 base model through architectural migration pre-training and large-scale post-training. This upgrade is guided by a unified co-design of model architecture, optimization objectives, serving systems, and agent training environments, enabling improvements in both model capability and deployment efficiency. At the architectural level, we introduce a hybrid linear attention design that integrates Lightning Attention with MLA, improving the efficiency of long-context training and decoding. To further enhance token efficiency, we optimize capability per output token through Evolutionary Chain-of-Thought, Linguistic Unit Policy Optimization, bidirectional preference alignment, and shortest-correct-response distillation. For agentic capabilities, we propose KPop, a reinforcement learning framework designed to support stable training of Ring-2.6-1T on large-scale environment-grounded data. KPop improves training efficiency through asynchronous scheduling across coding, search, tool use, and workflow execution, enabling scalable learning from complex agent-environment interactions. Together, Ling-2.6 and Ring-2.6 provide a practical pathway toward efficient, scalable, and open agentic systems. We open-source all checkpoints in the 2.6 family to support further research and development in practical agentic intelligence.

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

Making Models Unmergeable via Scaling-Sensitive Loss Landscape

arXiv:2601.21898v2 Announce Type: replace Abstract: The rise of model hubs has made it easier to access reusable model components, making model merging a practical tool for combining capabilities. Yet, this modularity also creates a governance gap: downstream users can recompose released weights into unauthorized mixtures that bypass safety alignment or licensing terms. Because existing defenses are largely post-hoc and architecture-specific, they provide inconsistent protection across diverse architectures and release formats in practice. To close this gap, we propose Trap$^2$, an architecture-agnostic protection framework that encodes protection into updates during fine-tuning, regardless of whether they are released as adapters or full models. Instead of relying on architecture-dependent approaches, Trap$^2$ uses weight re-scaling as a simple proxy for the merging process. It keeps released weights effective in standalone use, but degrades them under re-scaling that often arises in merging, undermining unauthorized recomposition.

07.
arXiv (CS.CV) 2026-06-24

Point-Voxel Absorbing Graph Representation Learning for Event Stream based Recognition

Sampled point and voxel methods are usually employed to downsample the dense events into sparse ones. After that, one popular way is to leverage a graph model which treats the sparse points/voxels as nodes and adopts graph neural networks (GNNs) to learn the representation of event data. Although good performance can be obtained, however, their results are still limited mainly due to two issues. (1) Existing event GNNs generally adopt the additional max (or mean) pooling layer to summarize all node embeddings into a single graph-level representation for the whole event data representation. However, this approach fails to capture the importance of graph nodes and also fails to be fully aware of the node representations. (2) Existing methods generally employ either a sparse point or voxel graph representation model which thus lacks consideration of the complementary between these two types of representation models. To address these issues, we propose a novel dual point-voxel absorbing graph representation learning for event stream data representation. To be specific, given the input event stream, we first transform it into the sparse event cloud and voxel grids and build dual absorbing graph models for them respectively. Then, we design a novel absorbing graph convolutional network (AGCN) for our dual absorbing graph representation and learning. The key aspect of the proposed AGCN is its ability to effectively capture the importance of nodes and thus be fully aware of node representations in summarizing all node representations through the introduced absorbing nodes. Extensive experiments on multiple event-based classification benchmark datasets fully validated the effectiveness of our framework.

08.
medRxiv (Medicine) 2026-06-19

Rumination as a cognitive vulnerability factor in perinatal bereavement: evidence from the CARING study

Purpose. Perinatal loss is associated with a high risk of persistent psychological distress, including prolonged grief, depression, anxiety, and post-traumatic stress symptoms. Cognitive processes such as rumination may play a crucial role in maintaining and amplifying distress following loss, yet their specific contribution in perinatal bereavement remains underexplored. Methods. The CARING (Cognitive Analysis and Rumination INvestigation in perinatal Grief) study employed a cross-sectional design involving 298 parents who experienced perinatal loss within the previous five years. Participants completed an anonymous online survey including measures of depressive rumination (Ruminative Response Scale, RRS), angry rumination (Anger Rumination Scale, ARS), perinatal grief (Perinatal Grief Scale, PGS), general psychopathology (SCL-90), and post-traumatic stress symptoms (NSESSS). Non-parametric analyses were conducted to examine associations between rumination patterns and psychological outcomes. Results. Higher levels of rumination were significantly associated with greater perinatal grief, depressive and anxiety symptoms, and post-traumatic stress. Depressive rumination showed consistently stronger associations with all outcomes compared to angry rumination. Participants presenting both depressive and angry rumination exhibited the highest levels of grief intensity, psychological distress, and PTSD symptoms, suggesting a graded relationship between rumination patterns and severity of distress. Rumination levels were not significantly associated with gestational age at loss or with having received psychological support. Conclusions. Rumination, particularly in its depressive form, appears to function as a transdiagnostic cognitive vulnerability factor in perinatal bereavement. These findings highlight rumination as a potential target for early screening and tailored psychological interventions aimed at reducing long-term distress following perinatal loss.

09.
arXiv (CS.AI) 2026-06-24

It's Complicated: On the Design and Evaluation of AI-Powered AAC Interfaces

arXiv:2606.24854v1 Announce Type: cross Abstract: Artificial intelligence (AI) can enhance what people who use augmentative and alternative communication (AAC) are able to do with their systems. However, evaluating AI-powered AAC interfaces can be difficult. People are intersectional beings and current evaluation metrics can struggle to capture the multifaceted and nuanced desires people may have for their AAC. We explore the complicated nature of six AAC problem spaces, explore how AI might be used in these spaces, and suggest more robust methods of evaluation that take the intersectional nuances of people into account. We also discuss broader issues that arise across these problem spaces and how they could be addressed using our proposed evaluation methods.

10.
arXiv (CS.AI) 2026-06-24

FLUX3D: High-Fidelity 3D Gaussian Generation with Diffusion-Aligned Sparse Representation

arXiv:2606.24874v1 Announce Type: cross Abstract: Sparse voxel representation has emerged as a scalable foundation for image-to-3D Gaussian Splatting (3DGS) generation, yet current methods struggle to preserve high-frequency visual details of input images due to two structural bottlenecks. First, they adopt discriminative 2D features optimized for semantic abstraction to construct sparse voxel latents, which suppress reconstructive cues and induce a representation bottleneck. Second, in the generation stage, standard diffusion transformers lack effective mechanisms to align dense 2D image tokens with sparse 3D voxel latents, resulting in a cross-modal correspondence bottleneck. To address these issues, we propose FLUX3D, a scalable image-to-3DGS framework that boosts both representation learning and cross-modal alignment during generation. We first revisit 2D feature selection for sparse-voxel-based 3D representation learning, propose Diffusion-Aligned Structured Latents (DA-SLAT) and couple it with a decoder-only architecture to improve 3DGS reconstruction fidelity. We also design a sparse-structure-aware diffusion framework, which integrates the Sparse-structure Multimodal Diffusion Transformer (SMDiT) and Modal-Aware Rotary Positional Embedding (MARoPE) to achieve geometry-agnostic 2D-3D alignment. Extensive benchmark experiments demonstrate that FLUX3D yields substantial improvements in appearance fidelity and significantly outperforms all state-of-the-art (SOTA) methods in generating high-quality 3DGS assets.

11.
arXiv (CS.CV) 2026-06-18

Vines-DB: An RGB image dataset for multi-species ornamental vine segmentation

The Vines-DB dataset contains 1,218 original high-resolution RGB images of seven ornamental vine species collected under field conditions at the Utah Agricultural Experiment Station's Greenville Research Farm in Logan, Utah, USA. The dataset was generated from 168 individual vine plants that were transplanted in 2022 and photographed repeatedly across multiple months during the 2023 and 2024 growing seasons (July-October). Images were captured with an iPhone 16 Pro equipped with a 48 MP camera between 10:00 AM and 12:00 PM under daylight. Vines were grown on 1.2m x 2.4m trellises and photographed from a distance of 1m against black or white Styrofoam backdrops to improve contrast and reduce background noise. The dataset includes Akebia quinata, Campsis radicans, Hydrangea anomala petiolaris, Lonicera x heckrottii, Campsis x tagliabuana 'Madame Galen', Parthenocissus quinquefolia, and Wisteria floribunda. All original images were manually annotated in Roboflow by trained annotators to produce polygon-based instance segmentation masks for eight classes, including seven species and background. After preprocessing and data augmentation, the working dataset was expanded to 2,307 images for model development and evaluation. The augmented dataset was divided into 2,019 training images, 192 validation images, and 96 test images using stratified sampling to maintain balanced representation. Vines-DB supports the development and evaluation of deep learning models for multi-class instance segmentation in precision horticulture and urban ecology. The dataset enables applications such as automated canopy cover estimation, species identification, and scalable field phenotyping. In addition, repeated monthly imaging of the plants captures temporal variation in canopy development and plant appearance, increasing the dataset's utility for segmentation benchmarking under realistic field conditions.

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

Efficient Reinforcement Learning by Guiding World Models with Non-Curated Data

arXiv:2502.19544v3 Announce Type: replace Abstract: Leveraging offline data is a promising way to improve the sample efficiency of online reinforcement learning (RL). This paper expands the pool of usable data for offline-to-online RL by leveraging abundant non-curated data that is reward-free, of mixed quality, and collected across multiple embodiments. Although learning a world model appears promising for utilizing such data, we find that naive fine-tuning fails to accelerate RL training on many tasks. Through careful investigation, we attribute this failure to the distributional shift between offline and online data during fine-tuning. To address this issue and effectively use the offline data, we propose two techniques: i) experience rehearsal and ii) execution guidance. With these modifications, the non-curated offline data substantially improves RL's sample efficiency. Under limited sample budgets, our method achieves nearly twice the aggregate score of learning-from-scratch baselines across 72 visuomotor tasks spanning 6 embodiments. On challenging tasks such as locomotion and robotic manipulation, it outperforms prior methods that utilize offline data by a decent margin.

13.
bioRxiv (Bioinfo) 2026-06-12

PHI-Reason: evidence-grounded species-level phage-host prediction from structured biological text profiles

Phage–host interaction (PHI) prediction is a fundamental problem in microbiology with applications in microbial ecology and microbiome engineering. Existing computational approaches typically convert phage and host information into numerical representations derived from sequence similarity, protein content, genome composition or reference databases, then score candidate hosts or train host-prediction models. Although effective, such representations often make it difficult to inspect which biological evidence supports a prediction. Here, we present PHI-Reason, a species-level PHI prediction framework that reformulates host prediction as constrained biological text reasoning. Instead of embedding phages and hosts directly as numerical vectors, PHI-Reason converts heterogeneous PHI-related evidence from phage genomes, host genomes, functional annotations, homology searches and biological metadata into modular natural-language profiles. A frozen large language model then performs species-level candidate-host ranking or pairwise PHI assessment by integrating the supplied evidence at inference time. Across species-level benchmarks, PHI-Reason achieved competitive host-prediction performance and recovered complementary correct assignments relative to established sequence- and reference-based methods. Its explicit profile design enabled systematic evidence perturbation and rationale-grounding analyses, showing that predictions depend on coherent multi-source biological evidence and that hallucination risk from unsupported or incomplete profiles can be made operationally measurable. These results position PHI-Reason as a constrained evidence-integration framework for species-level PHI prediction. Rather than replacing sequence-based predictors, it provides an interpretable layer that shows how far explicit biological evidence can support host inference, and where that evidence falls short.

14.
arXiv (CS.AI) 2026-06-15

StreamMemBench: Streaming Evaluation of Agent Memory for Future-Oriented Assistance

arXiv:2606.14571v1 Announce Type: new Abstract: A central role of personal-agent memory is to turn stored information and prior interactions into future-oriented assistance. In daily use, useful cues come from what the agent observes and how the user interacts with the agent, and the agent must carry them forward from the current request to similar future tasks. Existing memory benchmarks usually test dialogue recall or task improvement in isolation, leaving the trajectory from streaming observations to later assistance largely untested. We introduce StreamMemBench, a streaming benchmark that constructs a two-step task sequence around each evidence anchor from EgoLife egocentric streams. The initial task tests evidence use, while the follow-up task tests whether feedback and interaction experience are reused. Four metrics diagnose evidence recall, initial evidence use, feedback incorporation, and follow-up reuse. Experiments with eight memory systems across two backbones show that current systems often fail to use observed evidence or turn feedback into reliable follow-up behavior, even when evidence is stored or feedback is incorporated locally. StreamMemBench is publicly available at https://github.com/landian60/StreamMemBench.

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

DSB: Dynamic Sliding Block Scheduling for Diffusion LLMs

Diffusion large language models (dLLMs) have emerged as a promising alternative for text generation, distinguished by their native support for parallel decoding. In practice, block inference is crucial for avoiding order misalignment in global bidirectional decoding and improving output quality. However, the widely-used fixed, predefined block (naive) schedule is agnostic to semantic difficulty, making it a suboptimal strategy for both quality and efficiency: it can force premature commitments to uncertain positions while delaying easy positions near block boundaries. In this work, we analyze the limitations of naive block scheduling and disclose the importance of dynamically adapting the schedule to semantic difficulty for reliable and efficient inference. Motivated by this, we propose Dynamic Sliding Block (DSB), a training-free block scheduling method that uses a sliding block with a dynamic size to overcome the rigidity of the naive block. To further improve efficiency, we introduce DSB Cache, a training-free KV-cache mechanism tailored to DSB. Extensive experiments across multiple models and benchmarks demonstrate that DSB, together with DSB Cache, consistently improves both generation quality and inference efficiency for dLLMs. Code is released at https://github.com/lizhuo-luo/DSB.

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

InSight: Self-Guided Skill Acquisition via Steerable VLAs

arXiv:2606.24884v1 Announce Type: cross Abstract: Vision-language-action (VLA) models can learn manipulation skills from demonstrations, but their capabilities are bounded by the skills in the training data. We present InSight, a framework that unlocks autonomous skill acquisition by rendering VLAs steerable at the primitive-action level (e.g., "move gripper to the bowl", "lift upward", "pour the bottle"). InSight consists of two primary stages: (1) an automated segmentation pipeline that partitions demonstrations into labeled primitives via VLM plan decomposition and end-effector poses to enable VLA primitive steerability, and (2) a VLM-guided data flywheel that identifies missing primitives required to accomplish a novel task, autonomously attempts demonstrations of the missing primitives with VLM-proposed low-level control, and automatically labels, stores, and integrates successful demonstrations into the VLA training set. We evaluate InSight across simulation and real-world manipulation tasks, including block flipping, drawer closing, sweeping, twisting, and pouring, without any human demonstrations of these target skills. Once learned, these primitives can be composed to execute novel, long-horizon tasks without additional human demonstrations. Our findings demonstrate that primitive steerability provides a practical foundation for continual skill acquisition in VLA policies. Project website: https://insight-vla.github.io.

17.
bioRxiv (Bioinfo) 2026-06-15

VrySure: A Multi-Task AI Scientific Fraud Detection Platform for Identifying Manipulated and AI-Generated Biomedical Research Images

Integrity of scientific data is critical in biomedical research, where images often serve as primary evidence for experimental observations and conclusions. Advances in image-editing technologies and generative artificial intelligence (AI) have increased the accessibility and realism of visual manipulation, making detection through manual review increasingly challenging. To empower our laboratory researchers to continuously monitor and uphold scientific rigor and data integrity, and serve the global scientific community, we developed VrySure, an easy-to-deploy, AI-driven multi-task platform for automated image-integrity screening in biomedical research. VrySure integrates four detection modules: cross-image transformation detection, within-image copy-move detection, splicing detection in blot and gel images, and AI-generated image detection. The system identifies potentially manipulated images and, when possible, localizes suspicious regions using bounding-box outputs to support downstream verification. To support development and evaluation, we constructed task-specific datasets by combining public biomedical image resources, curated manipulated examples, and synthetic images generated by multiple generative AI systems. We evaluated VrySure using region-level F1 score, recall, precision, false negative rate (FNR), and false discovery rate (FDR) across multiple manipulation categories and compared its performance with two commonly used commercial image-integrity screening platforms under a predefined benchmark protocol. Under the tested conditions, VrySure achieved a higher F1 score and recall, lower FNR, and maintained a low FDR for within-image copy-move detection, splicing detection, and AI-generated image detection, while showing comparable performance in transformation detection. Beyond automated screening, VrySure is designed to support source-data comparison and evidence-based assessment in scientific integrity investigations. By integrating multiple detection capabilities into a unified and scalable workflow, VrySure provides a practical framework to improve the efficiency and consistency of image-integrity screening in biomedical research.

18.
arXiv (quant-ph) 2026-06-12

Efficient certification of intractable quantum states with few Pauli measurements

arXiv:2511.07300v2 Announce Type: replace Abstract: Efficient verification of quantum computational resources is crucial as experiments advance toward fault-tolerance. Universal quantum computation can be achieved by consuming resource states through simple Pauli measurements, yet a significant gap remains between states that are easy to certify and those required for universality. We focus on Clifford-enhanced Product States, a class of resource states obtained by applying Clifford circuits to a product of single-qubit, potentially magic, states. While essential for universal computation, the certification of such states has previously relied on query oracles that are \#P-hard to implement, leaving their efficient, oracle-free verification an open challenge. In this work, we demonstrate that such classically intractable resource states can be efficiently verified using only Pauli measurements. Our protocol achieves sample- and time-efficiency in both i.i.d.\ and adversarial settings. This work fills a gap in Pauli-based certification, providing a new practical pathway to verify resource states that drive universal Pauli-based quantum computation.

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

Can professional translators identify machine-generated text?

This study investigates whether professional translators without prior specialized training can reliably identify short stories generated in Italian by artificial intelligence (AI). Sixty-nine translators took part in an in-person experiment, where they assessed three anonymized short stories - two written by ChatGPT-4o and one by a human author. For each story, participants rated the likelihood of AI authorship and provided justifications for their choices. While average results were inconclusive, a statistically significant subset (16.2%) successfully distinguished the synthetic texts from the human text, suggesting that their judgements were informed by analytical skill rather than chance. However, a nearly equal number misclassified the texts in the opposite direction, often relying on subjective impressions rather than objective markers, possibly reflecting a reader preference for AI-generated texts. Low burstiness and narrative contradiction emerged as the most reliable indicators of synthetic authorship, with unexpected calques, semantic loans and syntactic transfer from English also reported. In contrast, features such as grammatical accuracy and emotional tone frequently led to misclassification. These findings raise questions about the role and scope of synthetic-text editing in professional contexts.

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

MagpieTTS-LF: Inference-Time Long-Form Speech Generation Without Training on Long-Form data

arXiv:2606.18485v1 Announce Type: cross Abstract: Neural Text-to-Speech (TTS) systems achieve remarkable quality on short utterances but long-form speech generation shows prosodic drift, speaker inconsistencies and sentence boundary artifacts. Existing approaches either compress sequences, increase context length or naively concatenate independently synthesized chunks. We present an inference-time approach called MagpieTTS-LF that enables MagpieTTS to produce coherent long-form speech without model retraining. Our method introduces three key innovations: (1) soft attention priors to guide monotonic alignment while preserving past and future context; (2) a stateful inference algorithm that maintains context across sentence chunks, ensuring prosodic continuity; (3) history-aware text encoding that uses past text for discourse-level prosodic planning. Experiments on long texts show significant improvements in long-range intelligibility, prosodic coherence, speaker consistency, and boundary naturalness compared to other baselines.

21.
bioRxiv (Bioinfo) 2026-06-23

Learning interpretable structural similarity from tandem mass spectra for small molecule analog discovery

Analog discovery remains a central bottleneck in mass spectrometry-based untargeted metabolomics, as conventional spectral similarity scores poorly reflect molecular structure. We introduce SIMBA, a transformer-based model that infers two interpretable graph-based distances, maximum common edge subgraph and substructure edit distance, directly from tandem mass spectra. SIMBA consistently retrieves structurally closer analogs than existing methods, enabling structure-aware small molecule identification beyond exact spectral matching.

22.
arXiv (CS.LG) 2026-06-24

Hessian-augmented Supervised Learning for Hamilton-Jacobi-Bellman PDEs

arXiv:2606.23827v1 Announce Type: cross Abstract: A data-driven method is developed for approximating value functions in deterministic optimal control problems with nonlinear control-affine dynamics. The Pontryagin Maximum Principle optimality system is solved from multiple initial conditions to generate training data consisting of values, gradients, and Hessians of the value function, where Hessian information is obtained from a matrix Riccati equation along optimal trajectories. These quantities augment a weighted least-squares regression over sparse polynomial bases on hyperbolic cross index sets, with gradients and Hessians contributing additional linear equations per sample and substantially reducing sample complexity compared to value-only regression. Feedback laws are recovered analytically from the learned value function. In high dimensions, a partial Hessian strategy controls the cost of data generation. The approach is validated on problems of increasing state dimension, where second-order data augmentation is shown to improve approximation accuracy and closed-loop performance, with up to an order-of-magnitude reduction in the number of training samples required relative to lower-order methods.

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

Intrinsic Gradient Suppression for Label-Noise Prompt Tuning in Vision-Language Models

Contrastive vision-language models like CLIP exhibit remarkable zero-shot generalization. However, prompt tuning remains highly sensitive to label noise, as mislabeled samples generate disproportionately large gradients that can overwhelm pre-trained priors. We argue that because CLIP already provides a near-optimal initialization, adaptation should be inherently conservative, particularly against the extreme gradient updates common in noisy settings. To this end, we propose Double-Softmax Prompt Tuning (DSPT), a hyperparameter-free method for intrinsic gradient suppression. By applying a sequential probabilistic normalization, DSPT induces a self-adaptive saturation zone that suppresses gradients from high-error noisy samples while maintaining informative updates. We also provide both theoretical analysis and empirical evidence about how this mechanism achieves adaptive suppression. This design transforms ``gradient vanishing'', traditionally a training bottleneck, into a principled noise-filtering shield for label-noise prompt tuning. Extensive experiments confirm that this simple, drop-in design achieves state-of-the-art robustness across various noisy benchmarks, outperforming methods with complex architectures and handcrafted hyperparameters.

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

Surrogate-Assisted Framework for SI-Compliant Interconnect Design Optimization Using the Earth Mover's Distance

arXiv:2606.15234v1 Announce Type: cross Abstract: This work presents a deterministic, machine-assisted framework for SI-compliant PCB design based on the Earth Mover's Distance (EMD). In contrast to conventional surrogate-based optimization methods that rely on iterative black-box search procedures, the proposed approach follows an interpretable, sequential evaluation strategy. Neural surrogate models are first used to efficiently predict waveform describing features from topology-dependent design parameters. A decision tree then acts as a physically motivated quality gate that identifies SI-compliant waveforms according to predefined SI criteria. Within the resulting valid solution space, the Earth Mover's Distance is employed as a similarity metric to rank candidate designs according to their proximity to an ideal reference signal. This enables not only the deterministic identification of admissible parameter regions but also a transparent prioritization of physically superior solutions without inverse modeling or stochastic search procedures. The methodology is demonstrated using a large-scale set of simulated DDR3 fly-by waveforms. By combining surrogate prediction, interpretable classification, and EMD-based waveform evaluation, the framework provides an explainable and computationally efficient alternative to conventional optimization strategies for supporting PCB development with AI-based methods.

25.
arXiv (CS.CV) 2026-06-12

Budget-Constrained Step-Level Diffusion Caching

Step-level caching accelerates diffusion models by exploiting temporal redundancy across denoising steps. Existing methods make per-step cache decisions using threshold-based heuristics, without directly optimizing for final output quality. As a result, their inference latency varies across inputs and is difficult to control at deployment. In this work, we propose BudCache, which inverts this formulation: rather than letting per-step error thresholds dictate the runtime cost, we fix the compute budget in advance and search for the cache policy that best preserves the final output. To tackle the combinatorial complexity of step selection, we combine Simulated Annealing with deterministic Hill Climbing. This offline search identifies high-quality cache policies within minutes and introduces no online search or thresholding overhead during inference. When the compute budget is very tight, we further introduce cache-aware schedule alignment, which adapts the time discretization to the selected cache policy to reduce cache-induced trajectory mismatch. Experiments on FLUX.1-dev and Wan2.1 show that BudCache achieves better generation quality than heuristic caching baselines under the same inference budgets. Code is available at https://github.com/Westlake-AGI-Lab/BudCache